NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
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601771 |
5hp0   |
30003 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# Restraints file 1: taz2ad2.RST # # 1815 GLY QA 1816 GLY H 3.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "827," r1= "1.30," r2= "1.80," r3= "3.34," r4= "3.84," rk2= "30.0," rk3= "30.0," ir6= "1," ialtd= "0," igr1= "822," "823," &end # # 1816 GLY H 1817 CYS- H 3.63 (# ) &rst ixpk= "0," nxpk= "0," iat= "827," "834," r1= "1.30," r2= "1.80," r3= "3.63," r4= "4.13," &end # # 1816 GLY H 1817 CYS- HB- 4.62 (# ) &rst ixpk= "0," nxpk= "0," iat= "827," "-1," r1= "1.30," r2= "1.80," r3= "4.62," r4= "5.12," igr2= "839," "838," &end # # 1792 SER H 1793 LEU H 4.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "438," "449," r1= "1.30," r2= "1.80," r3= "4.07," r4= "4.57," &end # # 1793 LEU H 1796 CYSZ HB+ 5.1 (# ) &rst ixpk= "0," nxpk= "0," iat= "449," "-1," r1= "1.30," r2= "1.80," r3= "5.10," r4= "5.60," igr2= "498," "497," &end # # 1793 LEU H 1793 LEU HB- 2.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "449," "-1," r1= "1.30," r2= "1.80," r3= "2.79," r4= "3.29," igr2= "453," "454," &end # # 1793 LEU H 1793 LEU HB+ 3.91 (# ) &rst ixpk= "0," nxpk= "0," iat= "449," "-1," r1= "1.30," r2= "1.80," r3= "3.91," r4= "4.41," igr2= "453," "454," &end # # 1839 CYS- HA 1841 VAL H 5.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "1180," "1202," r1= "1.30," r2= "1.80," r3= "5.41," r4= "5.91," &end # # 1840 PRO HD+ 1841 VAL H 4.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1202," r1= "1.30," r2= "1.80," r3= "4.85," r4= "5.35," igr1= "1189," "1190," &end # # 1840 PRO HD- 1841 VAL H 4.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1202," r1= "1.30," r2= "1.80," r3= "4.85," r4= "5.35," igr1= "1189," "1190," &end # # 1841 VAL H 1844 CYSZ HB- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1202," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "1257," "1256," &end # # 1841 VAL H 1841 VAL HB 3.62 (# ) &rst ixpk= "0," nxpk= "0," iat= "1202," "1206," r1= "1.30," r2= "1.80," r3= "3.62," r4= "4.12," &end # # 1841 VAL H 1841 VAL QG1 5.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "1202," "-1," r1= "1.30," r2= "1.80," r3= "5.07," r4= "5.57," igr2= "1208," "1209," "1210," &end # # 1841 VAL H 1841 VAL QG2 4.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "1202," "-1," r1= "1.30," r2= "1.80," r3= "4.43," r4= "4.93," igr2= "1212," "1213," "1214," &end # # 1835 GLN H 1835 GLN HG- 5.39 (# ) &rst ixpk= "0," nxpk= "0," iat= "1110," "-1," r1= "1.30," r2= "1.80," r3= "5.39," r4= "5.89," igr2= "1117," "1118," &end # # 1835 GLN H 1835 GLN HG+ 5.39 (# ) &rst ixpk= "0," nxpk= "0," iat= "1110," "-1," r1= "1.30," r2= "1.80," r3= "5.39," r4= "5.89," igr2= "1117," "1118," &end # # 1810 LYS+ H 1810 LYS+ QD 5.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "724," "-1," r1= "1.30," r2= "1.80," r3= "5.86," r4= "6.36," igr2= "734," "735," &end # # 1835 GLN H 1848 LYS+ QD 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "1110," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "1324," "1325," &end # # 3049 ASP- H 3053 TRP HE1 5.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "1684," "1757," r1= "1.30," r2= "1.80," r3= "5.70," r4= "6.20," &end # # 3053 TRP H 3053 TRP HE1 4.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "1747," "1757," r1= "1.30," r2= "1.80," r3= "4.96," r4= "5.46," &end # # 3053 TRP HA 3053 TRP HE1 4.9 (# ) &rst ixpk= "0," nxpk= "0," iat= "1749," "1757," r1= "1.30," r2= "1.80," r3= "4.90," r4= "5.40," &end # # 3049 ASP- QB 3053 TRP HE1 5.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1757," r1= "1.30," r2= "1.80," r3= "5.01," r4= "5.51," igr1= "1688," "1689," &end # # 3052 GLN QB 3053 TRP HE1 5.54 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1757," r1= "1.30," r2= "1.80," r3= "5.54," r4= "6.04," igr1= "1734," "1735," &end # # 3045 LEU HB- 3053 TRP HE1 5.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1757," r1= "1.30," r2= "1.80," r3= "5.70," r4= "6.20," igr1= "1632," "1633," &end # # 1793 LEU H 1796 CYSZ H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "449," "493," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1795 SER H 1796 CYSZ H 5.11 (# ) &rst ixpk= "0," nxpk= "0," iat= "482," "493," r1= "1.30," r2= "1.80," r3= "5.11," r4= "5.61," &end # # 1796 CYSZ H 1797 GLN H 3.26 (# ) &rst ixpk= "0," nxpk= "0," iat= "493," "503," r1= "1.30," r2= "1.80," r3= "3.26," r4= "3.76," &end # # 1796 CYSZ H 1796 CYSZ HB+ 3.37 (# ) &rst ixpk= "0," nxpk= "0," iat= "493," "-1," r1= "1.30," r2= "1.80," r3= "3.37," r4= "3.87," igr2= "498," "497," &end # # 1796 CYSZ H 1796 CYSZ HB- 3.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "493," "-1," r1= "1.30," r2= "1.80," r3= "3.61," r4= "4.11," igr2= "498," "497," &end # # 1796 CYSZ H 1797 GLN HB- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "493," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "507," "508," &end # # 1793 LEU HB- 1796 CYSZ H 4 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "493," r1= "1.30," r2= "1.80," r3= "4.00," r4= "4.50," igr1= "453," "454," &end # # 1793 LEU HB+ 1796 CYSZ H 5.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "493," r1= "1.30," r2= "1.80," r3= "5.32," r4= "5.82," igr1= "453," "454," &end # # 1780 LEU H 1781 VAL H 3.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "266," "285," r1= "1.30," r2= "1.80," r3= "3.13," r4= "3.63," &end # # 1777 ILE HA 1780 LEU H 3.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "221," "266," r1= "1.30," r2= "1.80," r3= "3.79," r4= "4.29," &end # # 1780 LEU H 1781 VAL HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "266," "287," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1780 LEU H 1780 LEU HB- 3.65 (# ) &rst ixpk= "0," nxpk= "0," iat= "266," "-1," r1= "1.30," r2= "1.80," r3= "3.65," r4= "4.15," igr2= "270," "271," &end # # 1780 LEU H 1799 MET HB+ 5.24 (# ) &rst ixpk= "0," nxpk= "0," iat= "266," "-1," r1= "1.30," r2= "1.80," r3= "5.24," r4= "5.74," igr2= "546," "547," &end # # 1780 LEU H 1780 LEU HB+ 3.58 (# ) &rst ixpk= "0," nxpk= "0," iat= "266," "-1," r1= "1.30," r2= "1.80," r3= "3.58," r4= "4.08," igr2= "270," "271," &end # # 1780 LEU H 1780 LEU QQD 5.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "266," "-1," r1= "1.30," r2= "1.80," r3= "5.84," r4= "6.34," igr2= "275," "276," "277," "279," "280," "281," &end # # 1780 LEU H 1780 LEU QQD 5.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "266," "-1," r1= "1.30," r2= "1.80," r3= "5.84," r4= "6.34," igr2= "275," "276," "277," "279," "280," "281," &end # # 1838 LYS+ H 1839 CYS- H 4.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "1156," "1178," r1= "1.30," r2= "1.80," r3= "4.51," r4= "5.01," &end # # 1839 CYS- H 1839 CYS- HA 2.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "1178," "1180," r1= "1.30," r2= "1.80," r3= "2.83," r4= "3.33," &end # # 1839 CYS- H 1839 CYS- HB- 3.77 (# ) &rst ixpk= "0," nxpk= "0," iat= "1178," "-1," r1= "1.30," r2= "1.80," r3= "3.77," r4= "4.27," igr2= "1183," "1182," &end # # 1839 CYS- H 1839 CYS- HB+ 3.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "1178," "-1," r1= "1.30," r2= "1.80," r3= "3.16," r4= "3.66," igr2= "1183," "1182," &end # # 1844 CYSZ H 1846 ASN H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1252," "1281," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1830 HIS HD2 1844 CYSZ H 5.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "1046," "1252," r1= "1.30," r2= "1.80," r3= "5.16," r4= "5.66," &end # # 1843 PHE HB+ 1844 CYSZ H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1252," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "1236," "1237," &end # # 1844 CYSZ H 1844 CYSZ HB- 3.75 (# ) &rst ixpk= "0," nxpk= "0," iat= "1252," "-1," r1= "1.30," r2= "1.80," r3= "3.75," r4= "4.25," igr2= "1257," "1256," &end # # 1844 CYSZ H 1844 CYSZ HB+ 3.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "1252," "-1," r1= "1.30," r2= "1.80," r3= "3.61," r4= "4.11," igr2= "1257," "1256," &end # # 1841 VAL HB 1844 CYSZ H 4.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "1206," "1252," r1= "1.30," r2= "1.80," r3= "4.79," r4= "5.29," &end # # 1831 ALA QB 1844 CYSZ H 5.78 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1252," r1= "1.30," r2= "1.80," r3= "5.78," r4= "6.28," igr1= "1054," "1055," "1056," &end # # 1841 VAL QG1 1844 CYSZ H 4.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1252," r1= "1.30," r2= "1.80," r3= "4.19," r4= "4.69," igr1= "1208," "1209," "1210," &end # # 1786 CYS- H 1787 ARG+ H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "356," "366," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1783 ALA H 1786 CYS- H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "318," "356," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1784 CYS H 1786 CYS- H 4.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "328," "356," r1= "1.30," r2= "1.80," r3= "4.20," r4= "4.70," &end # # 1785 GLN HA 1786 CYS- H 3.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "341," "356," r1= "1.30," r2= "1.80," r3= "3.60," r4= "4.10," &end # # 1784 CYS HA 1786 CYS- H 4.09 (# ) &rst ixpk= "0," nxpk= "0," iat= "330," "356," r1= "1.30," r2= "1.80," r3= "4.09," r4= "4.59," &end # # 1786 CYS- H 1786 CYS- HB+ 3.22 (# ) &rst ixpk= "0," nxpk= "0," iat= "356," "-1," r1= "1.30," r2= "1.80," r3= "3.22," r4= "3.72," igr2= "361," "360," &end # # 1786 CYS- H 1786 CYS- HB- 3.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "356," "-1," r1= "1.30," r2= "1.80," r3= "3.17," r4= "3.67," igr2= "361," "360," &end # # 1834 CYS- H 1835 GLN H 4.82 (# ) &rst ixpk= "0," nxpk= "0," iat= "1100," "1110," r1= "1.30," r2= "1.80," r3= "4.82," r4= "5.32," &end # # 1831 ALA H 1834 CYS- H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1050," "1100," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1834 CYS- H 1836 GLU- H 6 (# ) &rst ixpk= "0," nxpk= "0," iat= "1100," "1127," r1= "1.30," r2= "1.80," r3= "6.00," r4= "6.50," &end # # 1830 HIS HE1 1834 CYS- H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1043," "1100," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1832 LYS+ H 1834 CYS- H 4.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "1060," "1100," r1= "1.30," r2= "1.80," r3= "4.52," r4= "5.02," &end # # 1833 HIS HA 1834 CYS- H 3.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1084," "1100," r1= "1.30," r2= "1.80," r3= "3.50," r4= "4.00," &end # # 1831 ALA HA 1834 CYS- H 3.54 (# ) &rst ixpk= "0," nxpk= "0," iat= "1052," "1100," r1= "1.30," r2= "1.80," r3= "3.54," r4= "4.04," &end # # 1832 LYS+ HA 1834 CYS- H 5.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "1062," "1100," r1= "1.30," r2= "1.80," r3= "5.01," r4= "5.51," &end # # 1833 HIS HB- 1834 CYS- H 3.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1100," r1= "1.30," r2= "1.80," r3= "3.97," r4= "4.47," igr1= "1086," "1087," &end # # 1833 HIS HB+ 1834 CYS- H 4.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1100," r1= "1.30," r2= "1.80," r3= "4.52," r4= "5.02," igr1= "1086," "1087," &end # # 1834 CYS- H 1834 CYS- HB+ 3.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "1100," "-1," r1= "1.30," r2= "1.80," r3= "3.13," r4= "3.63," igr2= "1105," "1104," &end # # 1834 CYS- H 1834 CYS- HB- 3.06 (# ) &rst ixpk= "0," nxpk= "0," iat= "1100," "-1," r1= "1.30," r2= "1.80," r3= "3.06," r4= "3.56," igr2= "1105," "1104," &end # # 1809 CYS- H 1810 LYS+ H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "714," "724," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1806 THR H 1809 CYS- H 5.09 (# ) &rst ixpk= "0," nxpk= "0," iat= "671," "714," r1= "1.30," r2= "1.80," r3= "5.09," r4= "5.59," &end # # 1807 LYS+ H 1809 CYS- H 4.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "685," "714," r1= "1.30," r2= "1.80," r3= "4.18," r4= "4.68," &end # # 1808 GLY H 1809 CYS- H 3.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "707," "714," r1= "1.30," r2= "1.80," r3= "3.34," r4= "3.84," &end # # 1805 HIS HA 1809 CYS- H 5.06 (# ) &rst ixpk= "0," nxpk= "0," iat= "656," "714," r1= "1.30," r2= "1.80," r3= "5.06," r4= "5.56," &end # # 1806 THR HA 1809 CYS- H 3.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "673," "714," r1= "1.30," r2= "1.80," r3= "3.42," r4= "3.92," &end # # 1809 CYS- H 1809 CYS- HB+ 3.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "714," "-1," r1= "1.30," r2= "1.80," r3= "3.73," r4= "4.23," igr2= "719," "718," &end # # 1809 CYS- H 1809 CYS- HB- 3.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "714," "-1," r1= "1.30," r2= "1.80," r3= "3.43," r4= "3.93," igr2= "719," "718," &end # # 1806 THR QG2 1809 CYS- H 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "714," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "677," "678," "679," &end # # 1791 CYS- H 1792 SER H 5.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "428," "438," r1= "1.30," r2= "1.80," r3= "5.17," r4= "5.67," &end # # 1791 CYS- H 1793 LEU H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "428," "449," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1790 ASN H 1791 CYS- H 3.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "414," "428," r1= "1.30," r2= "1.80," r3= "3.07," r4= "3.57," &end # # 1788 ASN HD2+ 1791 CYS- H 4.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "428," r1= "1.30," r2= "1.80," r3= "4.30," r4= "4.80," igr1= "399," "400," &end # # 1791 CYS- H 1791 CYS- QB 3.06 (# ) &rst ixpk= "0," nxpk= "0," iat= "428," "-1," r1= "1.30," r2= "1.80," r3= "3.06," r4= "3.56," igr2= "433," "432," &end # # 1789 ALA QB 1791 CYS- H 5.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "428," r1= "1.30," r2= "1.80," r3= "5.52," r4= "6.02," igr1= "408," "409," "410," &end # # 1806 THR HG1 1807 LYS+ H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "681," "685," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1806 THR HB 1807 LYS+ H 4.89 (# ) &rst ixpk= "0," nxpk= "0," iat= "675," "685," r1= "1.30," r2= "1.80," r3= "4.89," r4= "5.39," &end # # 1804 GLN HA 1807 LYS+ H 4.21 (# ) &rst ixpk= "0," nxpk= "0," iat= "639," "685," r1= "1.30," r2= "1.80," r3= "4.21," r4= "4.71," &end # # 1807 LYS+ H 1807 LYS+ QB 3.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "685," "-1," r1= "1.30," r2= "1.80," r3= "3.96," r4= "4.46," igr2= "689," "690," &end # # 1820 CYSZ H 1822 GLN H 5.25 (# ) &rst ixpk= "0," nxpk= "0," iat= "874," "906," r1= "1.30," r2= "1.80," r3= "5.25," r4= "5.75," &end # # 1822 GLN H 1824 ILE H 5.45 (# ) &rst ixpk= "0," nxpk= "0," iat= "906," "942," r1= "1.30," r2= "1.80," r3= "5.45," r4= "5.95," &end # # 1822 GLN H 1823 LEU H 3.45 (# ) &rst ixpk= "0," nxpk= "0," iat= "906," "923," r1= "1.30," r2= "1.80," r3= "3.45," r4= "3.95," &end # # 1821 LYS+ H 1822 GLN H 3.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "884," "906," r1= "1.30," r2= "1.80," r3= "3.38," r4= "3.88," &end # # 1820 CYSZ HA 1822 GLN H 5.4 (# ) &rst ixpk= "0," nxpk= "0," iat= "876," "906," r1= "1.30," r2= "1.80," r3= "5.40," r4= "5.90," &end # # 1818 PRO HA 1822 GLN H 4.69 (# ) &rst ixpk= "0," nxpk= "0," iat= "854," "906," r1= "1.30," r2= "1.80," r3= "4.69," r4= "5.19," &end # # 1822 GLN H 1822 GLN QB 3.75 (# ) &rst ixpk= "0," nxpk= "0," iat= "906," "-1," r1= "1.30," r2= "1.80," r3= "3.75," r4= "4.25," igr2= "910," "911," &end # # 1819 VAL QG1 1822 GLN H 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "906," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "864," "865," "866," &end # # 1819 VAL QG2 1822 GLN H 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "906," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "868," "869," "870," &end # # 1822 GLN H 1824 ILE QG2 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "906," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "948," "949," "950," &end # # 1783 ALA H 1785 GLN H 4.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "318," "339," r1= "1.30," r2= "1.80," r3= "4.34," r4= "4.84," &end # # 1784 CYS H 1785 GLN H 3.31 (# ) &rst ixpk= "0," nxpk= "0," iat= "328," "339," r1= "1.30," r2= "1.80," r3= "3.31," r4= "3.81," &end # # 1782 HIS HA 1785 GLN H 3.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "303," "339," r1= "1.30," r2= "1.80," r3= "3.73," r4= "4.23," &end # # 1785 GLN H 1786 CYS- HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "339," "358," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1781 VAL HA 1785 GLN H 4.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "287," "339," r1= "1.30," r2= "1.80," r3= "4.97," r4= "5.47," &end # # 1783 ALA QB 1785 GLN H 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "339," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "322," "323," "324," &end # # 1831 ALA H 1832 LYS+ H 3.75 (# ) &rst ixpk= "0," nxpk= "0," iat= "1050," "1060," r1= "1.30," r2= "1.80," r3= "3.75," r4= "4.25," &end # # 1830 HIS H 1832 LYS+ H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1033," "1060," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1832 LYS+ H 1832 LYS+ HB- 3.15 (# ) &rst ixpk= "0," nxpk= "0," iat= "1060," "-1," r1= "1.30," r2= "1.80," r3= "3.15," r4= "3.65," igr2= "1064," "1065," &end # # 1832 LYS+ H 1832 LYS+ QD 3.77 (# ) &rst ixpk= "0," nxpk= "0," iat= "1060," "-1," r1= "1.30," r2= "1.80," r3= "3.77," r4= "4.27," igr2= "1070," "1071," &end # # 1832 LYS+ H 1832 LYS+ HG+ 3.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "1060," "-1," r1= "1.30," r2= "1.80," r3= "3.87," r4= "4.37," igr2= "1067," "1068," &end # # 1832 LYS+ H 1832 LYS+ HG- 4.48 (# ) &rst ixpk= "0," nxpk= "0," iat= "1060," "-1," r1= "1.30," r2= "1.80," r3= "4.48," r4= "4.98," igr2= "1067," "1068," &end # # 1831 ALA H 1833 HIS H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1050," "1082," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1832 LYS+ H 1833 HIS H 3.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "1060," "1082," r1= "1.30," r2= "1.80," r3= "3.34," r4= "3.84," &end # # 1830 HIS HA 1833 HIS H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1035," "1082," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1831 ALA HA 1833 HIS H 5.02 (# ) &rst ixpk= "0," nxpk= "0," iat= "1052," "1082," r1= "1.30," r2= "1.80," r3= "5.02," r4= "5.52," &end # # 1833 HIS H 1833 HIS HB- 4 (# ) &rst ixpk= "0," nxpk= "0," iat= "1082," "-1," r1= "1.30," r2= "1.80," r3= "4.00," r4= "4.50," igr2= "1086," "1087," &end # # 1833 HIS H 1833 HIS HB+ 3.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "1082," "-1," r1= "1.30," r2= "1.80," r3= "3.64," r4= "4.14," igr2= "1086," "1087," &end # # 1833 HIS H 1834 CYS- HB- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1082," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "1105," "1104," &end # # 1832 LYS+ HB- 1833 HIS H 4.36 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1082," r1= "1.30," r2= "1.80," r3= "4.36," r4= "4.86," igr1= "1064," "1065," &end # # 1832 LYS+ HB+ 1833 HIS H 3.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1082," r1= "1.30," r2= "1.80," r3= "3.85," r4= "4.35," igr1= "1064," "1065," &end # # 1799 MET H 1800 LYS+ H 3.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "542," "559," r1= "1.30," r2= "1.80," r3= "3.14," r4= "3.64," &end # # 1796 CYSZ HA 1800 LYS+ H 5.36 (# ) &rst ixpk= "0," nxpk= "0," iat= "495," "559," r1= "1.30," r2= "1.80," r3= "5.36," r4= "5.86," &end # # 1800 LYS+ H 1801 ARG+ HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "559," "583," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1799 MET HB- 1800 LYS+ H 5.25 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "559," r1= "1.30," r2= "1.80," r3= "5.25," r4= "5.75," igr1= "546," "547," &end # # 1783 ALA QB 1800 LYS+ H 4.47 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "559," r1= "1.30," r2= "1.80," r3= "4.47," r4= "4.97," igr1= "322," "323," "324," &end # # 1791 CYS- QB 1792 SER H 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "438," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "433," "432," &end # # 1820 CYSZ H 1820 CYSZ HB+ 4.1 (# ) &rst ixpk= "0," nxpk= "0," iat= "874," "-1," r1= "1.30," r2= "1.80," r3= "4.10," r4= "4.60," igr2= "879," "878," &end # # 1820 CYSZ H 1820 CYSZ HB- 3.8 (# ) &rst ixpk= "0," nxpk= "0," iat= "874," "-1," r1= "1.30," r2= "1.80," r3= "3.80," r4= "4.30," igr2= "879," "878," &end # # 1817 CYS- HB+ 1820 CYSZ H 3.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "874," r1= "1.30," r2= "1.80," r3= "3.74," r4= "4.24," igr1= "839," "838," &end # # 1819 VAL HB 1820 CYSZ H 4.28 (# ) &rst ixpk= "0," nxpk= "0," iat= "862," "874," r1= "1.30," r2= "1.80," r3= "4.28," r4= "4.78," &end # # 1830 HIS H 1831 ALA H 3.57 (# ) &rst ixpk= "0," nxpk= "0," iat= "1033," "1050," r1= "1.30," r2= "1.80," r3= "3.57," r4= "4.07," &end # # 1829 TYR H 1831 ALA H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1012," "1050," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1830 HIS HD2 1831 ALA H 3.27 (# ) &rst ixpk= "0," nxpk= "0," iat= "1046," "1050," r1= "1.30," r2= "1.80," r3= "3.27," r4= "3.77," &end # # 1828 CYS HA 1831 ALA H 4.35 (# ) &rst ixpk= "0," nxpk= "0," iat= "1003," "1050," r1= "1.30," r2= "1.80," r3= "4.35," r4= "4.85," &end # # 1830 HIS HB+ 1831 ALA H 3.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1050," r1= "1.30," r2= "1.80," r3= "3.73," r4= "4.23," igr1= "1037," "1038," &end # # 1830 HIS HB- 1831 ALA H 4.57 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1050," r1= "1.30," r2= "1.80," r3= "4.57," r4= "5.07," igr1= "1037," "1038," &end # # 1831 ALA H 1844 CYSZ HB- 4.95 (# ) &rst ixpk= "0," nxpk= "0," iat= "1050," "-1," r1= "1.30," r2= "1.80," r3= "4.95," r4= "5.45," igr2= "1257," "1256," &end # # 1831 ALA H 1831 ALA QB 4.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "1050," "-1," r1= "1.30," r2= "1.80," r3= "4.14," r4= "4.64," igr2= "1054," "1055," "1056," &end # # 1831 ALA H 1847 ILE QG2 6.22 (# ) &rst ixpk= "0," nxpk= "0," iat= "1050," "-1," r1= "1.30," r2= "1.80," r3= "6.22," r4= "6.72," igr2= "1301," "1302," "1303," &end # # 1831 ALA H 1847 ILE QD1 5.68 (# ) &rst ixpk= "0," nxpk= "0," iat= "1050," "-1," r1= "1.30," r2= "1.80," r3= "5.68," r4= "6.18," igr2= "1308," "1309," "1310," &end # # 1837 ASN QB 1838 LYS+ H 4.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1156," r1= "1.30," r2= "1.80," r3= "4.74," r4= "5.24," igr1= "1146," "1147," &end # # 1844 CYSZ HA 1847 ILE H 4.24 (# ) &rst ixpk= "0," nxpk= "0," iat= "1254," "1295," r1= "1.30," r2= "1.80," r3= "4.24," r4= "4.74," &end # # 1847 ILE H 1849 HIS QB 6.08 (# ) &rst ixpk= "0," nxpk= "0," iat= "1295," "-1," r1= "1.30," r2= "1.80," r3= "6.08," r4= "6.58," igr2= "1340," "1341," &end # # 1846 ASN QB 1847 ILE H 3.69 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1295," r1= "1.30," r2= "1.80," r3= "3.69," r4= "4.19," igr1= "1285," "1286," &end # # 1847 ILE H 1847 ILE HB 3.47 (# ) &rst ixpk= "0," nxpk= "0," iat= "1295," "1299," r1= "1.30," r2= "1.80," r3= "3.47," r4= "3.97," &end # # 1847 ILE H 1847 ILE HG13 3.59 (# ) &rst ixpk= "0," nxpk= "0," iat= "1295," "1306," r1= "1.30," r2= "1.80," r3= "3.59," r4= "4.09," &end # # 1845 LEU HB+ 1847 ILE H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1295," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "1266," "1267," &end # # 1847 ILE H 1847 ILE QG2 4.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "1295," "-1," r1= "1.30," r2= "1.80," r3= "4.55," r4= "5.05," igr2= "1301," "1302," "1303," &end # # 1847 ILE H 1847 ILE QD1 4.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "1295," "-1," r1= "1.30," r2= "1.80," r3= "4.55," r4= "5.05," igr2= "1308," "1309," "1310," &end # # 1782 HIS H 1783 ALA H 3.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "301," "318," r1= "1.30," r2= "1.80," r3= "3.33," r4= "3.83," &end # # 1782 HIS HD2 1783 ALA H 3.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "314," "318," r1= "1.30," r2= "1.80," r3= "3.42," r4= "3.92," &end # # 1780 LEU HA 1783 ALA H 4.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "268," "318," r1= "1.30," r2= "1.80," r3= "4.13," r4= "4.63," &end # # 1782 HIS HB+ 1783 ALA H 3.09 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "318," r1= "1.30," r2= "1.80," r3= "3.09," r4= "3.59," igr1= "305," "306," &end # # 1783 ALA H 1799 MET HB- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "318," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "546," "547," &end # # 1781 VAL HB 1783 ALA H 6 (# ) &rst ixpk= "0," nxpk= "0," iat= "289," "318," r1= "1.30," r2= "1.80," r3= "6.00," r4= "6.50," &end # # 1783 ALA H 1786 CYS- HB- 5.26 (# ) &rst ixpk= "0," nxpk= "0," iat= "318," "-1," r1= "1.30," r2= "1.80," r3= "5.26," r4= "5.76," igr2= "361," "360," &end # # 1783 ALA H 1783 ALA QB 3.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "318," "-1," r1= "1.30," r2= "1.80," r3= "3.88," r4= "4.38," igr2= "322," "323," "324," &end # # 1810 LYS+ H 1811 ARG+ H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "724," "746," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1811 ARG+ H 1811 ARG+ HG+ 3.75 (# ) &rst ixpk= "0," nxpk= "0," iat= "746," "-1," r1= "1.30," r2= "1.80," r3= "3.75," r4= "4.25," igr2= "753," "754," &end # # 1811 ARG+ H 1811 ARG+ HG- 3.75 (# ) &rst ixpk= "0," nxpk= "0," iat= "746," "-1," r1= "1.30," r2= "1.80," r3= "3.75," r4= "4.25," igr2= "753," "754," &end # # 1847 ILE H 1848 LYS+ H 3.39 (# ) &rst ixpk= "0," nxpk= "0," iat= "1295," "1314," r1= "1.30," r2= "1.80," r3= "3.39," r4= "3.89," &end # # 1848 LYS+ H 1850 LYS+ H 4.69 (# ) &rst ixpk= "0," nxpk= "0," iat= "1314," "1354," r1= "1.30," r2= "1.80," r3= "4.69," r4= "5.19," &end # # 1848 LYS+ H 1849 HIS HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1314," "1338," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1848 LYS+ H 1849 HIS QB 5.35 (# ) &rst ixpk= "0," nxpk= "0," iat= "1314," "-1," r1= "1.30," r2= "1.80," r3= "5.35," r4= "5.85," igr2= "1340," "1341," &end # # 1847 ILE HB 1848 LYS+ H 3.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "1299," "1314," r1= "1.30," r2= "1.80," r3= "3.53," r4= "4.03," &end # # 1831 ALA QB 1848 LYS+ H 4.22 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1314," r1= "1.30," r2= "1.80," r3= "4.22," r4= "4.72," igr1= "1054," "1055," "1056," &end # # 1847 ILE QG2 1848 LYS+ H 5.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1314," r1= "1.30," r2= "1.80," r3= "5.20," r4= "5.70," igr1= "1301," "1302," "1303," &end # # 1847 ILE QD1 1848 LYS+ H 6.39 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1314," r1= "1.30," r2= "1.80," r3= "6.39," r4= "6.89," igr1= "1308," "1309," "1310," &end # # 1777 ILE H 1778 GLN H 3.35 (# ) &rst ixpk= "0," nxpk= "0," iat= "219," "238," r1= "1.30," r2= "1.80," r3= "3.35," r4= "3.85," &end # # 1776 CYS H 1777 ILE H 3.22 (# ) &rst ixpk= "0," nxpk= "0," iat= "208," "219," r1= "1.30," r2= "1.80," r3= "3.22," r4= "3.72," &end # # 1775 ARG+ HA 1777 ILE H 4.69 (# ) &rst ixpk= "0," nxpk= "0," iat= "186," "219," r1= "1.30," r2= "1.80," r3= "4.69," r4= "5.19," &end # # 1774 GLN HA 1777 ILE H 3.82 (# ) &rst ixpk= "0," nxpk= "0," iat= "169," "219," r1= "1.30," r2= "1.80," r3= "3.82," r4= "4.32," &end # # 1776 CYS HB+ 1777 ILE H 4.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "219," r1= "1.30," r2= "1.80," r3= "4.07," r4= "4.57," igr1= "212," "213," &end # # 1776 CYS HB- 1777 ILE H 4.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "219," r1= "1.30," r2= "1.80," r3= "4.07," r4= "4.57," igr1= "212," "213," &end # # 1777 ILE H 1777 ILE HB 3.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "219," "223," r1= "1.30," r2= "1.80," r3= "3.12," r4= "3.62," &end # # 1777 ILE H 1777 ILE HG13 4.27 (# ) &rst ixpk= "0," nxpk= "0," iat= "219," "230," r1= "1.30," r2= "1.80," r3= "4.27," r4= "4.77," &end # # 1777 ILE H 1777 ILE HG12 4.27 (# ) &rst ixpk= "0," nxpk= "0," iat= "219," "229," r1= "1.30," r2= "1.80," r3= "4.27," r4= "4.77," &end # # 1777 ILE H 1777 ILE QG2 4.47 (# ) &rst ixpk= "0," nxpk= "0," iat= "219," "-1," r1= "1.30," r2= "1.80," r3= "4.47," r4= "4.97," igr2= "225," "226," "227," &end # # 1777 ILE H 1777 ILE QD1 4.35 (# ) &rst ixpk= "0," nxpk= "0," iat= "219," "-1," r1= "1.30," r2= "1.80," r3= "4.35," r4= "4.85," igr2= "232," "233," "234," &end # # 1823 LEU H 1824 ILE H 3.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "923," "942," r1= "1.30," r2= "1.80," r3= "3.87," r4= "4.37," &end # # 1824 ILE H 1843 PHE QD 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "942," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "1240," "1248," &end # # 1824 ILE H 1843 PHE QE 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "942," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "1242," "1246," &end # # 1813 THR HB 1824 ILE H 5.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "796," "942," r1= "1.30," r2= "1.80," r3= "5.23," r4= "5.73," &end # # 1824 ILE H 1825 ALA HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "942," "963," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1820 CYSZ HA 1824 ILE H 5.08 (# ) &rst ixpk= "0," nxpk= "0," iat= "876," "942," r1= "1.30," r2= "1.80," r3= "5.08," r4= "5.58," &end # # 1822 GLN HA 1824 ILE H 4.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "908," "942," r1= "1.30," r2= "1.80," r3= "4.41," r4= "4.91," &end # # 1823 LEU HB+ 1824 ILE H 3.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "942," r1= "1.30," r2= "1.80," r3= "3.79," r4= "4.29," igr1= "927," "928," &end # # 1824 ILE H 1824 ILE HB 3 (# ) &rst ixpk= "0," nxpk= "0," iat= "942," "946," r1= "1.30," r2= "1.80," r3= "3.00," r4= "3.50," &end # # 1824 ILE H 1824 ILE QG2 4.29 (# ) &rst ixpk= "0," nxpk= "0," iat= "942," "-1," r1= "1.30," r2= "1.80," r3= "4.29," r4= "4.79," igr2= "948," "949," "950," &end # # 1824 ILE H 1824 ILE QD1 6.47 (# ) &rst ixpk= "0," nxpk= "0," iat= "942," "-1," r1= "1.30," r2= "1.80," r3= "6.47," r4= "6.97," igr2= "955," "956," "957," &end # # 1778 GLN HA 1781 VAL H 4.82 (# ) &rst ixpk= "0," nxpk= "0," iat= "240," "285," r1= "1.30," r2= "1.80," r3= "4.82," r4= "5.32," &end # # 1777 ILE HA 1781 VAL H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "221," "285," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1780 LEU HB- 1781 VAL H 4.1 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "285," r1= "1.30," r2= "1.80," r3= "4.10," r4= "4.60," igr1= "270," "271," &end # # 1780 LEU HG 1781 VAL H 4.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "273," "285," r1= "1.30," r2= "1.80," r3= "4.42," r4= "4.92," &end # # 1781 VAL H 1781 VAL HB 3.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "285," "289," r1= "1.30," r2= "1.80," r3= "3.34," r4= "3.84," &end # # 1828 CYS H 1830 HIS H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1001," "1033," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1826 LEU H 1828 CYS H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "971," "1001," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1824 ILE HA 1828 CYS H 4.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "944," "1001," r1= "1.30," r2= "1.80," r3= "4.72," r4= "5.22," &end # # 1828 CYS H 1828 CYS HB- 3.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "1001," "-1," r1= "1.30," r2= "1.80," r3= "3.85," r4= "4.35," igr2= "1005," "1006," &end # # 1824 ILE HB 1828 CYS H 5.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "946," "1001," r1= "1.30," r2= "1.80," r3= "5.70," r4= "6.20," &end # # 1828 CYS H 1847 ILE QD1 4.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "1001," "-1," r1= "1.30," r2= "1.80," r3= "4.60," r4= "5.10," igr2= "1308," "1309," "1310," &end # # 1828 CYS H 1828 CYS HB+ 3.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "1001," "-1," r1= "1.30," r2= "1.80," r3= "3.85," r4= "4.35," igr2= "1005," "1006," &end # # 1826 LEU H 1827 CYS H 3.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "971," "990," r1= "1.30," r2= "1.80," r3= "3.50," r4= "4.00," &end # # 1824 ILE HA 1827 CYS H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "944," "990," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1823 LEU HG 1827 CYS H 4.68 (# ) &rst ixpk= "0," nxpk= "0," iat= "930," "990," r1= "1.30," r2= "1.80," r3= "4.68," r4= "5.18," &end # # 1827 CYS H 1847 ILE QD1 6.26 (# ) &rst ixpk= "0," nxpk= "0," iat= "990," "-1," r1= "1.30," r2= "1.80," r3= "6.26," r4= "6.76," igr2= "1308," "1309," "1310," &end # # 1806 THR H 1807 LYS+ H 3.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "671," "685," r1= "1.30," r2= "1.80," r3= "3.41," r4= "3.91," &end # # 1806 THR H 1806 THR HG1 4.24 (# ) &rst ixpk= "0," nxpk= "0," iat= "671," "681," r1= "1.30," r2= "1.80," r3= "4.24," r4= "4.74," &end # # 1805 HIS HD2 1806 THR H 3.8 (# ) &rst ixpk= "0," nxpk= "0," iat= "667," "671," r1= "1.30," r2= "1.80," r3= "3.80," r4= "4.30," &end # # 1806 THR H 1806 THR HB 2.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "671," "675," r1= "1.30," r2= "1.80," r3= "2.97," r4= "3.47," &end # # 1805 HIS HB+ 1806 THR H 3.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "671," r1= "1.30," r2= "1.80," r3= "3.87," r4= "4.37," igr1= "658," "659," &end # # 1802 VAL HA 1806 THR H 3.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "607," "671," r1= "1.30," r2= "1.80," r3= "3.97," r4= "4.47," &end # # 1805 HIS HB- 1806 THR H 3.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "671," r1= "1.30," r2= "1.80," r3= "3.87," r4= "4.37," igr1= "658," "659," &end # # 1806 THR H 1807 LYS+ QB 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "671," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "689," "690," &end # # 1806 THR H 1806 THR QG2 4.44 (# ) &rst ixpk= "0," nxpk= "0," iat= "671," "-1," r1= "1.30," r2= "1.80," r3= "4.44," r4= "4.94," igr2= "677," "678," "679," &end # # 1802 VAL QG2 1806 THR H 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "671," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "615," "616," "617," &end # # 1789 ALA H 1790 ASN H 4.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "404," "414," r1= "1.30," r2= "1.80," r3= "4.97," r4= "5.47," &end # # 1788 ASN HA 1790 ASN H 4.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "392," "414," r1= "1.30," r2= "1.80," r3= "4.43," r4= "4.93," &end # # 1790 ASN H 1790 ASN HB+ 3.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "414," "-1," r1= "1.30," r2= "1.80," r3= "3.74," r4= "4.24," igr2= "418," "419," &end # # 1790 ASN H 1790 ASN HB- 3.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "414," "-1," r1= "1.30," r2= "1.80," r3= "3.74," r4= "4.24," igr2= "418," "419," &end # # 1789 ALA QB 1790 ASN H 5.03 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "414," r1= "1.30," r2= "1.80," r3= "5.03," r4= "5.53," igr1= "408," "409," "410," &end # # 1846 ASN H 1848 LYS+ H 4.8 (# ) &rst ixpk= "0," nxpk= "0," iat= "1281," "1314," r1= "1.30," r2= "1.80," r3= "4.80," r4= "5.30," &end # # 1846 ASN H 1847 ILE H 3.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "1281," "1295," r1= "1.30," r2= "1.80," r3= "3.30," r4= "3.80," &end # # 1843 PHE HA 1846 ASN H 4.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "1234," "1281," r1= "1.30," r2= "1.80," r3= "4.34," r4= "4.84," &end # # 1846 ASN H 1846 ASN QB 3.08 (# ) &rst ixpk= "0," nxpk= "0," iat= "1281," "-1," r1= "1.30," r2= "1.80," r3= "3.08," r4= "3.58," igr2= "1285," "1286," &end # # 1846 ASN H 1847 ILE HG13 5.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "1281," "1306," r1= "1.30," r2= "1.80," r3= "5.13," r4= "5.63," &end # # 1845 LEU HB- 1846 ASN H 4.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1281," r1= "1.30," r2= "1.80," r3= "4.14," r4= "4.64," igr1= "1266," "1267," &end # # 1845 LEU HB+ 1846 ASN H 3.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1281," r1= "1.30," r2= "1.80," r3= "3.60," r4= "4.10," igr1= "1266," "1267," &end # # 1845 LEU QQD 1846 ASN H 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1281," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1845 LEU QQD 1846 ASN H 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1281," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1824 ILE H 1825 ALA H 3.24 (# ) &rst ixpk= "0," nxpk= "0," iat= "942," "961," r1= "1.30," r2= "1.80," r3= "3.24," r4= "3.74," &end # # 1825 ALA H 1826 LEU H 3.54 (# ) &rst ixpk= "0," nxpk= "0," iat= "961," "971," r1= "1.30," r2= "1.80," r3= "3.54," r4= "4.04," &end # # 1822 GLN HA 1825 ALA H 4.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "908," "961," r1= "1.30," r2= "1.80," r3= "4.07," r4= "4.57," &end # # 1824 ILE HB 1825 ALA H 3.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "946," "961," r1= "1.30," r2= "1.80," r3= "3.60," r4= "4.10," &end # # 1825 ALA H 1825 ALA QB 3.69 (# ) &rst ixpk= "0," nxpk= "0," iat= "961," "-1," r1= "1.30," r2= "1.80," r3= "3.69," r4= "4.19," igr2= "965," "966," "967," &end # # 1824 ILE QG2 1825 ALA H 4.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "961," r1= "1.30," r2= "1.80," r3= "4.98," r4= "5.48," igr1= "948," "949," "950," &end # # 1845 LEU H 1848 LYS+ H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1262," "1314," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1845 LEU H 1847 ILE H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1262," "1295," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1845 LEU H 1846 ASN H 3.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "1262," "1281," r1= "1.30," r2= "1.80," r3= "3.41," r4= "3.91," &end # # 1844 CYSZ H 1845 LEU H 3.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "1252," "1262," r1= "1.30," r2= "1.80," r3= "3.51," r4= "4.01," &end # # 1844 CYSZ HB- 1845 LEU H 4.11 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1262," r1= "1.30," r2= "1.80," r3= "4.11," r4= "4.61," igr1= "1257," "1256," &end # # 1844 CYSZ HB+ 1845 LEU H 3.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1262," r1= "1.30," r2= "1.80," r3= "3.46," r4= "3.96," igr1= "1257," "1256," &end # # 1845 LEU H 1845 LEU HB+ 3.45 (# ) &rst ixpk= "0," nxpk= "0," iat= "1262," "-1," r1= "1.30," r2= "1.80," r3= "3.45," r4= "3.95," igr2= "1266," "1267," &end # # 1845 LEU H 1845 LEU HB- 2.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "1262," "-1," r1= "1.30," r2= "1.80," r3= "2.84," r4= "3.34," igr2= "1266," "1267," &end # # 1841 VAL QG1 1845 LEU H 5.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1262," r1= "1.30," r2= "1.80," r3= "5.60," r4= "6.10," igr1= "1208," "1209," "1210," &end # # 1797 GLN H 1800 LYS+ H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "503," "559," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1793 LEU H 1797 GLN H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "449," "503," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1795 SER HA 1797 GLN H 4.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "484," "503," r1= "1.30," r2= "1.80," r3= "4.64," r4= "5.14," &end # # 1796 CYSZ HB+ 1797 GLN H 3.44 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "503," r1= "1.30," r2= "1.80," r3= "3.44," r4= "3.94," igr1= "498," "497," &end # # 1796 CYSZ HB- 1797 GLN H 4.02 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "503," r1= "1.30," r2= "1.80," r3= "4.02," r4= "4.52," igr1= "498," "497," &end # # 1797 GLN H 1797 GLN HB- 2.68 (# ) &rst ixpk= "0," nxpk= "0," iat= "503," "-1," r1= "1.30," r2= "1.80," r3= "2.68," r4= "3.18," igr2= "507," "508," &end # # 1781 VAL H 1782 HIS H 3 (# ) &rst ixpk= "0," nxpk= "0," iat= "285," "301," r1= "1.30," r2= "1.80," r3= "3.00," r4= "3.50," &end # # 1779 SER HA 1782 HIS H 4.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "257," "301," r1= "1.30," r2= "1.80," r3= "4.70," r4= "5.20," &end # # 1782 HIS H 1782 HIS HB+ 2.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "301," "-1," r1= "1.30," r2= "1.80," r3= "2.83," r4= "3.33," igr2= "305," "306," &end # # 1781 VAL HB 1782 HIS H 3.95 (# ) &rst ixpk= "0," nxpk= "0," iat= "289," "301," r1= "1.30," r2= "1.80," r3= "3.95," r4= "4.45," &end # # 1772 SER H 1773 ILE H 3.44 (# ) &rst ixpk= "0," nxpk= "0," iat= "137," "148," r1= "1.30," r2= "1.80," r3= "3.44," r4= "3.94," &end # # 1772 SER H 1772 SER HB+ 3.57 (# ) &rst ixpk= "0," nxpk= "0," iat= "137," "-1," r1= "1.30," r2= "1.80," r3= "3.57," r4= "4.07," igr2= "141," "142," &end # # 1772 SER H 1772 SER HB- 3.57 (# ) &rst ixpk= "0," nxpk= "0," iat= "137," "-1," r1= "1.30," r2= "1.80," r3= "3.57," r4= "4.07," igr2= "141," "142," &end # # 1771 LEU HB- 1772 SER H 3.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "137," r1= "1.30," r2= "1.80," r3= "3.46," r4= "3.96," igr1= "122," "123," &end # # 1771 LEU HB+ 1772 SER H 3.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "137," r1= "1.30," r2= "1.80," r3= "3.46," r4= "3.96," igr1= "122," "123," &end # # 1848 LYS+ H 1849 HIS H 3.37 (# ) &rst ixpk= "0," nxpk= "0," iat= "1314," "1336," r1= "1.30," r2= "1.80," r3= "3.37," r4= "3.87," &end # # 1847 ILE H 1849 HIS H 5.24 (# ) &rst ixpk= "0," nxpk= "0," iat= "1295," "1336," r1= "1.30," r2= "1.80," r3= "5.24," r4= "5.74," &end # # 1849 HIS H 1851 LEU H 5.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "1336," "1376," r1= "1.30," r2= "1.80," r3= "5.20," r4= "5.70," &end # # 1849 HIS H 1850 LYS+ H 3.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "1336," "1354," r1= "1.30," r2= "1.80," r3= "3.30," r4= "3.80," &end # # 1849 HIS H 1849 HIS HD2 5.36 (# ) &rst ixpk= "0," nxpk= "0," iat= "1336," "1350," r1= "1.30," r2= "1.80," r3= "5.36," r4= "5.86," &end # # 1849 HIS H 1849 HIS QB 3.27 (# ) &rst ixpk= "0," nxpk= "0," iat= "1336," "-1," r1= "1.30," r2= "1.80," r3= "3.27," r4= "3.77," igr2= "1340," "1341," &end # # 1847 ILE HA 1849 HIS H 5.35 (# ) &rst ixpk= "0," nxpk= "0," iat= "1297," "1336," r1= "1.30," r2= "1.80," r3= "5.35," r4= "5.85," &end # # 1798 LYS+ H 1800 LYS+ H 4.45 (# ) &rst ixpk= "0," nxpk= "0," iat= "520," "559," r1= "1.30," r2= "1.80," r3= "4.45," r4= "4.95," &end # # 1797 GLN H 1798 LYS+ H 3.45 (# ) &rst ixpk= "0," nxpk= "0," iat= "503," "520," r1= "1.30," r2= "1.80," r3= "3.45," r4= "3.95," &end # # 1795 SER HA 1798 LYS+ H 4.36 (# ) &rst ixpk= "0," nxpk= "0," iat= "484," "520," r1= "1.30," r2= "1.80," r3= "4.36," r4= "4.86," &end # # 1797 GLN HB- 1798 LYS+ H 3.8 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "520," r1= "1.30," r2= "1.80," r3= "3.80," r4= "4.30," igr1= "507," "508," &end # # 1798 LYS+ H 1798 LYS+ HB- 3.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "520," "-1," r1= "1.30," r2= "1.80," r3= "3.73," r4= "4.23," igr2= "524," "525," &end # # 1798 LYS+ H 1798 LYS+ HB+ 3.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "520," "-1," r1= "1.30," r2= "1.80," r3= "3.73," r4= "4.23," igr2= "524," "525," &end # # 1830 HIS H 1830 HIS HD2 4.63 (# ) &rst ixpk= "0," nxpk= "0," iat= "1033," "1046," r1= "1.30," r2= "1.80," r3= "4.63," r4= "5.13," &end # # 1827 CYS HA 1830 HIS H 3.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "992," "1033," r1= "1.30," r2= "1.80," r3= "3.73," r4= "4.23," &end # # 1830 HIS H 1830 HIS HB+ 3.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "1033," "-1," r1= "1.30," r2= "1.80," r3= "3.43," r4= "3.93," igr2= "1037," "1038," &end # # 1830 HIS H 1832 LYS+ QD 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "1033," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "1070," "1071," &end # # 1777 ILE QD1 1830 HIS H 5.76 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1033," r1= "1.30," r2= "1.80," r3= "5.76," r4= "6.26," igr1= "232," "233," "234," &end # # 1830 HIS H 1847 ILE QD1 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "1033," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "1308," "1309," "1310," &end # # 1830 HIS H 1830 HIS HB- 3.11 (# ) &rst ixpk= "0," nxpk= "0," iat= "1033," "-1," r1= "1.30," r2= "1.80," r3= "3.11," r4= "3.61," igr2= "1037," "1038," &end # # 1798 LYS+ H 1799 MET H 3.56 (# ) &rst ixpk= "0," nxpk= "0," iat= "520," "542," r1= "1.30," r2= "1.80," r3= "3.56," r4= "4.06," &end # # 1799 MET H 1799 MET HG+ 5.22 (# ) &rst ixpk= "0," nxpk= "0," iat= "542," "-1," r1= "1.30," r2= "1.80," r3= "5.22," r4= "5.72," igr2= "549," "550," &end # # 1799 MET H 1799 MET HG- 3.63 (# ) &rst ixpk= "0," nxpk= "0," iat= "542," "-1," r1= "1.30," r2= "1.80," r3= "3.63," r4= "4.13," igr2= "549," "550," &end # # 1799 MET H 1799 MET HB- 3.82 (# ) &rst ixpk= "0," nxpk= "0," iat= "542," "-1," r1= "1.30," r2= "1.80," r3= "3.82," r4= "4.32," igr2= "546," "547," &end # # 1820 CYSZ H 1821 LYS+ H 3.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "874," "884," r1= "1.30," r2= "1.80," r3= "3.19," r4= "3.69," &end # # 1813 THR HB 1821 LYS+ H 4.15 (# ) &rst ixpk= "0," nxpk= "0," iat= "796," "884," r1= "1.30," r2= "1.80," r3= "4.15," r4= "4.65," &end # # 1813 THR HA 1821 LYS+ H 4.36 (# ) &rst ixpk= "0," nxpk= "0," iat= "794," "884," r1= "1.30," r2= "1.80," r3= "4.36," r4= "4.86," &end # # 1820 CYSZ HB+ 1821 LYS+ H 4.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "884," r1= "1.30," r2= "1.80," r3= "4.30," r4= "4.80," igr1= "879," "878," &end # # 1820 CYSZ HB- 1821 LYS+ H 3.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "884," r1= "1.30," r2= "1.80," r3= "3.53," r4= "4.03," igr1= "879," "878," &end # # 1817 CYS- HB+ 1821 LYS+ H 4.08 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "884," r1= "1.30," r2= "1.80," r3= "4.08," r4= "4.58," igr1= "839," "838," &end # # 1821 LYS+ H 1822 GLN QB 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "884," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "910," "911," &end # # 1821 LYS+ H 1823 LEU HB+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "884," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "927," "928," &end # # 1813 THR QG2 1821 LYS+ H 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "884," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "798," "799," "800," &end # # 1812 LYS+ H 1817 CYS- HB+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "770," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "839," "838," &end # # 1812 LYS+ H 1814 ASN QB 6.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "770," "-1," r1= "1.30," r2= "1.80," r3= "6.14," r4= "6.64," igr2= "810," "811," &end # # 1812 LYS+ H 1812 LYS+ HD+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "770," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "780," "781," &end # # 1812 LYS+ H 1812 LYS+ HD- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "770," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "780," "781," &end # # 1812 LYS+ H 1812 LYS+ HG- 5.27 (# ) &rst ixpk= "0," nxpk= "0," iat= "770," "-1," r1= "1.30," r2= "1.80," r3= "5.27," r4= "5.77," igr2= "777," "778," &end # # 1812 LYS+ H 1812 LYS+ HG+ 5.27 (# ) &rst ixpk= "0," nxpk= "0," iat= "770," "-1," r1= "1.30," r2= "1.80," r3= "5.27," r4= "5.77," igr2= "777," "778," &end # # 1800 LYS+ H 1801 ARG+ H 3.1 (# ) &rst ixpk= "0," nxpk= "0," iat= "559," "581," r1= "1.30," r2= "1.80," r3= "3.10," r4= "3.60," &end # # 1801 ARG+ H 1803 VAL H 5.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "581," "621," r1= "1.30," r2= "1.80," r3= "5.12," r4= "5.62," &end # # 1799 MET H 1801 ARG+ H 5.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "542," "581," r1= "1.30," r2= "1.80," r3= "5.01," r4= "5.51," &end # # 1801 ARG+ H 1801 ARG+ QD 4.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "581," "-1," r1= "1.30," r2= "1.80," r3= "4.60," r4= "5.10," igr2= "591," "592," &end # # 1801 ARG+ H 1801 ARG+ QB 2.77 (# ) &rst ixpk= "0," nxpk= "0," iat= "581," "-1," r1= "1.30," r2= "1.80," r3= "2.77," r4= "3.27," igr2= "585," "586," &end # # 1801 ARG+ H 1801 ARG+ QG 3.95 (# ) &rst ixpk= "0," nxpk= "0," iat= "581," "-1," r1= "1.30," r2= "1.80," r3= "3.95," r4= "4.45," igr2= "588," "589," &end # # 1801 ARG+ H 1802 VAL QG1 5.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "581," "-1," r1= "1.30," r2= "1.80," r3= "5.73," r4= "6.23," igr2= "611," "612," "613," &end # # 1801 ARG+ H 1802 VAL QG2 5.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "581," "-1," r1= "1.30," r2= "1.80," r3= "5.74," r4= "6.24," igr2= "615," "616," "617," &end # # 1799 MET HA 1801 ARG+ H 4.95 (# ) &rst ixpk= "0," nxpk= "0," iat= "544," "581," r1= "1.30," r2= "1.80," r3= "4.95," r4= "5.45," &end # # 1851 LEU H 1852 ARG+ H 3.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "1376," "1395," r1= "1.30," r2= "1.80," r3= "3.20," r4= "3.70," &end # # 1852 ARG+ H 1853 GLN HA 5.49 (# ) &rst ixpk= "0," nxpk= "0," iat= "1395," "1421," r1= "1.30," r2= "1.80," r3= "5.49," r4= "5.99," &end # # 1848 LYS+ HA 1852 ARG+ H 4.89 (# ) &rst ixpk= "0," nxpk= "0," iat= "1316," "1395," r1= "1.30," r2= "1.80," r3= "4.89," r4= "5.39," &end # # 1852 ARG+ H 1852 ARG+ QD 5.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "1395," "-1," r1= "1.30," r2= "1.80," r3= "5.38," r4= "5.88," igr2= "1405," "1406," &end # # 1851 LEU HB- 1852 ARG+ H 3.49 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1395," r1= "1.30," r2= "1.80," r3= "3.49," r4= "3.99," igr1= "1380," "1381," &end # # 1851 LEU HB+ 1852 ARG+ H 3.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1395," r1= "1.30," r2= "1.80," r3= "3.88," r4= "4.38," igr1= "1380," "1381," &end # # 1851 LEU QQD 1852 ARG+ H 6.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1395," r1= "1.30," r2= "1.80," r3= "6.38," r4= "6.88," igr1= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1851 LEU QQD 1852 ARG+ H 6.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1395," r1= "1.30," r2= "1.80," r3= "6.38," r4= "6.88," igr1= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1799 MET QE 1826 LEU H 6.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "971," r1= "1.30," r2= "1.80," r3= "6.51," r4= "7.01," igr1= "553," "554," "555," &end # # 1825 ALA QB 1826 LEU H 6.05 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "971," r1= "1.30," r2= "1.80," r3= "6.05," r4= "6.55," igr1= "965," "966," "967," &end # # 1828 CYS H 1829 TYR H 3.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "1001," "1012," r1= "1.30," r2= "1.80," r3= "3.74," r4= "4.24," &end # # 1829 TYR H 1830 HIS H 3.69 (# ) &rst ixpk= "0," nxpk= "0," iat= "1012," "1033," r1= "1.30," r2= "1.80," r3= "3.69," r4= "4.19," &end # # 1829 TYR H 1829 TYR QD 5.11 (# ) &rst ixpk= "0," nxpk= "0," iat= "1012," "-1," r1= "1.30," r2= "1.80," r3= "5.11," r4= "5.61," igr2= "1020," "1029," &end # # 1829 TYR H 1829 TYR HB- 3.89 (# ) &rst ixpk= "0," nxpk= "0," iat= "1012," "-1," r1= "1.30," r2= "1.80," r3= "3.89," r4= "4.39," igr2= "1016," "1017," &end # # 1829 TYR H 1832 LYS+ QE 5.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "1012," "-1," r1= "1.30," r2= "1.80," r3= "5.98," r4= "6.48," igr2= "1073," "1074," &end # # 1829 TYR H 1832 LYS+ QD 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "1012," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "1070," "1071," &end # # 1777 ILE QD1 1829 TYR H 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1012," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "232," "233," "234," &end # # 1824 ILE QG2 1829 TYR H 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1012," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "948," "949," "950," &end # # 1829 TYR H 1847 ILE QD1 6.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "1012," "-1," r1= "1.30," r2= "1.80," r3= "6.18," r4= "6.68," igr2= "1308," "1309," "1310," &end # # 1847 ILE HA 1850 LYS+ H 3.65 (# ) &rst ixpk= "0," nxpk= "0," iat= "1297," "1354," r1= "1.30," r2= "1.80," r3= "3.65," r4= "4.15," &end # # 1849 HIS QB 1850 LYS+ H 3.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1354," r1= "1.30," r2= "1.80," r3= "3.70," r4= "4.20," igr1= "1340," "1341," &end # # 1850 LYS+ H 1850 LYS+ HB+ 3.28 (# ) &rst ixpk= "0," nxpk= "0," iat= "1354," "-1," r1= "1.30," r2= "1.80," r3= "3.28," r4= "3.78," igr2= "1358," "1359," &end # # 1850 LYS+ H 1850 LYS+ HG+ 3.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "1354," "-1," r1= "1.30," r2= "1.80," r3= "3.18," r4= "3.68," igr2= "1361," "1362," &end # # 1819 VAL H 1820 CYSZ H 3.02 (# ) &rst ixpk= "0," nxpk= "0," iat= "858," "874," r1= "1.30," r2= "1.80," r3= "3.02," r4= "3.52," &end # # 1819 VAL H 1821 LYS+ H 4.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "858," "884," r1= "1.30," r2= "1.80," r3= "4.64," r4= "5.14," &end # # 1819 VAL H 1820 CYSZ HB- 5.28 (# ) &rst ixpk= "0," nxpk= "0," iat= "858," "-1," r1= "1.30," r2= "1.80," r3= "5.28," r4= "5.78," igr2= "879," "878," &end # # 1818 PRO QG 1819 VAL H 5.48 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "858," r1= "1.30," r2= "1.80," r3= "5.48," r4= "5.98," igr1= "848," "849," &end # # 1819 VAL H 1819 VAL HB 2.94 (# ) &rst ixpk= "0," nxpk= "0," iat= "858," "862," r1= "1.30," r2= "1.80," r3= "2.94," r4= "3.44," &end # # 1800 LYS+ H 1802 VAL H 5.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "559," "605," r1= "1.30," r2= "1.80," r3= "5.16," r4= "5.66," &end # # 1802 VAL H 1803 VAL H 3.36 (# ) &rst ixpk= "0," nxpk= "0," iat= "605," "621," r1= "1.30," r2= "1.80," r3= "3.36," r4= "3.86," &end # # 1799 MET H 1802 VAL H 5.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "542," "605," r1= "1.30," r2= "1.80," r3= "5.07," r4= "5.57," &end # # 1799 MET HA 1802 VAL H 4.02 (# ) &rst ixpk= "0," nxpk= "0," iat= "544," "605," r1= "1.30," r2= "1.80," r3= "4.02," r4= "4.52," &end # # 1801 ARG+ QB 1802 VAL H 3.95 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "605," r1= "1.30," r2= "1.80," r3= "3.95," r4= "4.45," igr1= "585," "586," &end # # 1802 VAL H 1802 VAL HB 3.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "605," "609," r1= "1.30," r2= "1.80," r3= "3.74," r4= "4.24," &end # # 1801 ARG+ QG 1802 VAL H 5.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "605," r1= "1.30," r2= "1.80," r3= "5.43," r4= "5.93," igr1= "588," "589," &end # # 1802 VAL H 1802 VAL QG1 4.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "605," "-1," r1= "1.30," r2= "1.80," r3= "4.38," r4= "4.88," igr2= "611," "612," "613," &end # # 1802 VAL H 1802 VAL QG2 3.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "605," "-1," r1= "1.30," r2= "1.80," r3= "3.99," r4= "4.49," igr2= "615," "616," "617," &end # # 1835 GLN H 1836 GLU- H 3.44 (# ) &rst ixpk= "0," nxpk= "0," iat= "1110," "1127," r1= "1.30," r2= "1.80," r3= "3.44," r4= "3.94," &end # # 1835 GLN HA 1836 GLU- H 3.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "1112," "1127," r1= "1.30," r2= "1.80," r3= "3.60," r4= "4.10," &end # # 1834 CYS- HA 1836 GLU- H 4.65 (# ) &rst ixpk= "0," nxpk= "0," iat= "1102," "1127," r1= "1.30," r2= "1.80," r3= "4.65," r4= "5.15," &end # # 1836 GLU- H 1839 CYS- HB+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1127," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "1183," "1182," &end # # 1803 VAL H 1806 THR H 5.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "621," "671," r1= "1.30," r2= "1.80," r3= "5.13," r4= "5.63," &end # # 1799 MET HA 1803 VAL H 4.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "544," "621," r1= "1.30," r2= "1.80," r3= "4.70," r4= "5.20," &end # # 1803 VAL H 1803 VAL HB 3.02 (# ) &rst ixpk= "0," nxpk= "0," iat= "621," "625," r1= "1.30," r2= "1.80," r3= "3.02," r4= "3.52," &end # # 1783 ALA QB 1803 VAL H 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "621," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "322," "323," "324," &end # # 1802 VAL QG2 1803 VAL H 3.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "621," r1= "1.30," r2= "1.80," r3= "3.46," r4= "3.96," igr1= "615," "616," "617," &end # # 1853 GLN H 1854 GLN H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1419," "1436," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1852 ARG+ HA 1853 GLN H 3.65 (# ) &rst ixpk= "0," nxpk= "0," iat= "1397," "1419," r1= "1.30," r2= "1.80," r3= "3.65," r4= "4.15," &end # # 1853 GLN H 1853 GLN QG 4.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1419," "-1," r1= "1.30," r2= "1.80," r3= "4.50," r4= "5.00," igr2= "1426," "1427," &end # # 1788 ASN H 1789 ALA H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "390," "404," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1787 ARG+ H 1788 ASN H 4.11 (# ) &rst ixpk= "0," nxpk= "0," iat= "366," "390," r1= "1.30," r2= "1.80," r3= "4.11," r4= "4.61," &end # # 1788 ASN H 1788 ASN HD2- 5 (# ) &rst ixpk= "0," nxpk= "0," iat= "390," "-1," r1= "1.30," r2= "1.80," r3= "5.00," r4= "5.50," igr2= "399," "400," &end # # 1786 CYS- HA 1788 ASN H 4 (# ) &rst ixpk= "0," nxpk= "0," iat= "358," "390," r1= "1.30," r2= "1.80," r3= "4.00," r4= "4.50," &end # # 1788 ASN H 1788 ASN HB+ 2.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "390," "-1," r1= "1.30," r2= "1.80," r3= "2.93," r4= "3.43," igr2= "394," "395," &end # # 1788 ASN H 1788 ASN HB- 2.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "390," "-1," r1= "1.30," r2= "1.80," r3= "2.93," r4= "3.43," igr2= "394," "395," &end # # 1786 CYS- HB- 1788 ASN H 5.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "390," r1= "1.30," r2= "1.80," r3= "5.38," r4= "5.88," igr1= "361," "360," &end # # 1787 ARG+ HB- 1788 ASN H 3.89 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "390," r1= "1.30," r2= "1.80," r3= "3.89," r4= "4.39," igr1= "370," "371," &end # # 1774 GLN H 1775 ARG+ H 3.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "167," "184," r1= "1.30," r2= "1.80," r3= "3.33," r4= "3.83," &end # # 1770 ARG+ HA 1774 GLN H 3.78 (# ) &rst ixpk= "0," nxpk= "0," iat= "96," "167," r1= "1.30," r2= "1.80," r3= "3.78," r4= "4.28," &end # # 1774 GLN H 1774 GLN HB+ 3.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "167," "-1," r1= "1.30," r2= "1.80," r3= "3.60," r4= "4.10," igr2= "171," "172," &end # # 1805 HIS H 1807 LYS+ H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "654," "685," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1805 HIS H 1805 HIS HD2 4.76 (# ) &rst ixpk= "0," nxpk= "0," iat= "654," "667," r1= "1.30," r2= "1.80," r3= "4.76," r4= "5.26," &end # # 1802 VAL HA 1805 HIS H 3.49 (# ) &rst ixpk= "0," nxpk= "0," iat= "607," "654," r1= "1.30," r2= "1.80," r3= "3.49," r4= "3.99," &end # # 1805 HIS H 1805 HIS HB- 3.68 (# ) &rst ixpk= "0," nxpk= "0," iat= "654," "-1," r1= "1.30," r2= "1.80," r3= "3.68," r4= "4.18," igr2= "658," "659," &end # # 1804 GLN QG 1805 HIS H 6.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "654," r1= "1.30," r2= "1.80," r3= "6.16," r4= "6.66," igr1= "644," "645," &end # # 1804 GLN HB- 1805 HIS H 4.21 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "654," r1= "1.30," r2= "1.80," r3= "4.21," r4= "4.71," igr1= "641," "642," &end # # 1804 GLN HB+ 1805 HIS H 4.21 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "654," r1= "1.30," r2= "1.80," r3= "4.21," r4= "4.71," igr1= "641," "642," &end # # 1802 VAL QG2 1805 HIS H 6.47 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "654," r1= "1.30," r2= "1.80," r3= "6.47," r4= "6.97," igr1= "615," "616," "617," &end # # 1805 HIS H 1805 HIS HB+ 3.68 (# ) &rst ixpk= "0," nxpk= "0," iat= "654," "-1," r1= "1.30," r2= "1.80," r3= "3.68," r4= "4.18," igr2= "658," "659," &end # # 1848 LYS+ H 1851 LEU H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1314," "1376," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1850 LYS+ H 1851 LEU H 3.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "1354," "1376," r1= "1.30," r2= "1.80," r3= "3.01," r4= "3.51," &end # # 1849 HIS HA 1851 LEU H 5.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "1338," "1376," r1= "1.30," r2= "1.80," r3= "5.07," r4= "5.57," &end # # 1848 LYS+ HA 1851 LEU H 4.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "1316," "1376," r1= "1.30," r2= "1.80," r3= "4.12," r4= "4.62," &end # # 1850 LYS+ HB+ 1851 LEU H 4.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1376," r1= "1.30," r2= "1.80," r3= "4.84," r4= "5.34," igr1= "1358," "1359," &end # # 1850 LYS+ HB- 1851 LEU H 5.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1376," r1= "1.30," r2= "1.80," r3= "5.18," r4= "5.68," igr1= "1358," "1359," &end # # 1851 LEU H 1851 LEU HB- 2.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "1376," "-1," r1= "1.30," r2= "1.80," r3= "2.98," r4= "3.48," igr2= "1380," "1381," &end # # 1850 LYS+ HG+ 1851 LEU H 3.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1376," r1= "1.30," r2= "1.80," r3= "3.16," r4= "3.66," igr1= "1361," "1362," &end # # 1847 ILE QG2 1851 LEU H 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1376," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1301," "1302," "1303," &end # # 1851 LEU H 1851 LEU QQD 5.75 (# ) &rst ixpk= "0," nxpk= "0," iat= "1376," "-1," r1= "1.30," r2= "1.80," r3= "5.75," r4= "6.25," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1851 LEU H 1851 LEU QQD 5.75 (# ) &rst ixpk= "0," nxpk= "0," iat= "1376," "-1," r1= "1.30," r2= "1.80," r3= "5.75," r4= "6.25," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1777 ILE HB 1778 GLN H 3.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "223," "238," r1= "1.30," r2= "1.80," r3= "3.30," r4= "3.80," &end # # 1777 ILE QG2 1778 GLN H 5.48 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "238," r1= "1.30," r2= "1.80," r3= "5.48," r4= "5.98," igr1= "225," "226," "227," &end # # 1777 ILE QD1 1778 GLN H 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "238," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "232," "233," "234," &end # # 3061 ASP- H 3061 ASP- HA 2.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "1867," "1869," r1= "1.30," r2= "1.80," r3= "2.88," r4= "3.38," &end # # 3060 PRO QG 3061 ASP- H 4.95 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1867," r1= "1.30," r2= "1.80," r3= "4.95," r4= "5.45," igr1= "1857," "1858," &end # # 3039 ALA H 3039 ALA QB 4.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "1541," "-1," r1= "1.30," r2= "1.80," r3= "4.38," r4= "4.88," igr2= "1545," "1546," "1547," &end # # 3056 GLU- HA 3057 ASP- H 3.57 (# ) &rst ixpk= "0," nxpk= "0," iat= "1807," "1820," r1= "1.30," r2= "1.80," r3= "3.57," r4= "4.07," &end # # 3057 ASP- H 3058 PRO QD 5.63 (# ) &rst ixpk= "0," nxpk= "0," iat= "1820," "-1," r1= "1.30," r2= "1.80," r3= "5.63," r4= "6.13," igr2= "1833," "1834," &end # # 3056 GLU- HG- 3057 ASP- H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1820," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "1812," "1813," &end # # 3056 GLU- HG+ 3057 ASP- H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1820," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "1812," "1813," &end # # 1773 ILE H 1774 GLN H 4.1 (# ) &rst ixpk= "0," nxpk= "0," iat= "148," "167," r1= "1.30," r2= "1.80," r3= "4.10," r4= "4.60," &end # # 1771 LEU HA 1773 ILE H 4.78 (# ) &rst ixpk= "0," nxpk= "0," iat= "120," "148," r1= "1.30," r2= "1.80," r3= "4.78," r4= "5.28," &end # # 1770 ARG+ HA 1773 ILE H 3.91 (# ) &rst ixpk= "0," nxpk= "0," iat= "96," "148," r1= "1.30," r2= "1.80," r3= "3.91," r4= "4.41," &end # # 1770 ARG+ QB 1773 ILE H 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "148," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "98," "99," &end # # 1773 ILE H 1775 ARG+ QB 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "148," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "188," "189," &end # # 1773 ILE H 3047 PRO QG 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "148," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "1662," "1663," &end # # 1773 ILE H 1773 ILE QG1 3.67 (# ) &rst ixpk= "0," nxpk= "0," iat= "148," "-1," r1= "1.30," r2= "1.80," r3= "3.67," r4= "4.17," igr2= "158," "159," &end # # 1773 ILE H 1773 ILE HB 3.15 (# ) &rst ixpk= "0," nxpk= "0," iat= "148," "152," r1= "1.30," r2= "1.80," r3= "3.15," r4= "3.65," &end # # 1773 ILE H 1773 ILE QG2 4.58 (# ) &rst ixpk= "0," nxpk= "0," iat= "148," "-1," r1= "1.30," r2= "1.80," r3= "4.58," r4= "5.08," igr2= "154," "155," "156," &end # # 1773 ILE H 3050 ILE QD1 4.24 (# ) &rst ixpk= "0," nxpk= "0," iat= "148," "-1," r1= "1.30," r2= "1.80," r3= "4.24," r4= "4.74," igr2= "1709," "1710," "1711," &end # # 1766 GLN HA 1769 ARG+ H 4.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "29," "70," r1= "1.30," r2= "1.80," r3= "4.19," r4= "4.69," &end # # 1767 GLU- HA 1769 ARG+ H 4.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "46," "70," r1= "1.30," r2= "1.80," r3= "4.61," r4= "5.11," &end # # 1768 SER QB 1769 ARG+ H 4.65 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "70," r1= "1.30," r2= "1.80," r3= "4.65," r4= "5.15," igr1= "63," "64," &end # # 1769 ARG+ H 1769 ARG+ QB 4.02 (# ) &rst ixpk= "0," nxpk= "0," iat= "70," "-1," r1= "1.30," r2= "1.80," r3= "4.02," r4= "4.52," igr2= "74," "75," &end # # 3056 GLU- H 3057 ASP- H 4.4 (# ) &rst ixpk= "0," nxpk= "0," iat= "1805," "1820," r1= "1.30," r2= "1.80," r3= "4.40," r4= "4.90," &end # # 3055 THR H 3056 GLU- H 4.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "1791," "1805," r1= "1.30," r2= "1.80," r3= "4.51," r4= "5.01," &end # # 3055 THR HA 3056 GLU- H 3.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "1793," "1805," r1= "1.30," r2= "1.80," r3= "3.64," r4= "4.14," &end # # 3055 THR QG2 3056 GLU- H 5.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1805," r1= "1.30," r2= "1.80," r3= "5.79," r4= "6.29," igr1= "1797," "1798," "1799," &end # # 1817 CYS- H 1817 CYS- HB- 3.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "834," "-1," r1= "1.30," r2= "1.80," r3= "3.74," r4= "4.24," igr2= "839," "838," &end # # 1817 CYS- H 1817 CYS- HB+ 3.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "834," "-1," r1= "1.30," r2= "1.80," r3= "3.85," r4= "4.35," igr2= "839," "838," &end # # 1765 PRO HD- 1767 GLU- H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "44," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "14," "15," &end # # 1767 GLU- H 1768 SER QB 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "44," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "63," "64," &end # # 1767 GLU- H 1767 GLU- QG 5.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "44," "-1," r1= "1.30," r2= "1.80," r3= "5.52," r4= "6.02," igr2= "51," "52," &end # # 1766 GLN HB+ 1767 GLU- H 3.49 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "44," r1= "1.30," r2= "1.80," r3= "3.49," r4= "3.99," igr1= "31," "32," &end # # 3042 ASP- HA 3043 LEU H 3.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "1582," "1592," r1= "1.30," r2= "1.80," r3= "3.53," r4= "4.03," &end # # 3041 ASP- QB 3043 LEU H 4.89 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1592," r1= "1.30," r2= "1.80," r3= "4.89," r4= "5.39," igr1= "1572," "1573," &end # # 3050 ILE H 3051 GLU- H 3.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "1696," "1715," r1= "1.30," r2= "1.80," r3= "3.88," r4= "4.38," &end # # 3047 PRO HA 3050 ILE H 3.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "1668," "1696," r1= "1.30," r2= "1.80," r3= "3.88," r4= "4.38," &end # # 3049 ASP- QB 3050 ILE H 4.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1696," r1= "1.30," r2= "1.80," r3= "4.97," r4= "5.47," igr1= "1688," "1689," &end # # 3050 ILE H 3050 ILE HB 3.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "1696," "1700," r1= "1.30," r2= "1.80," r3= "3.96," r4= "4.46," &end # # 3050 ILE H 3050 ILE HG13 5.05 (# ) &rst ixpk= "0," nxpk= "0," iat= "1696," "1707," r1= "1.30," r2= "1.80," r3= "5.05," r4= "5.55," &end # # 3050 ILE H 3050 ILE HG12 5.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "1696," "1706," r1= "1.30," r2= "1.80," r3= "5.13," r4= "5.63," &end # # 3050 ILE H 3050 ILE QG2 5.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "1696," "-1," r1= "1.30," r2= "1.80," r3= "5.33," r4= "5.83," igr2= "1702," "1703," "1704," &end # # 3051 GLU- H 3053 TRP H 4.35 (# ) &rst ixpk= "0," nxpk= "0," iat= "1715," "1747," r1= "1.30," r2= "1.80," r3= "4.35," r4= "4.85," &end # # 3053 TRP H 3053 TRP HD1 5.24 (# ) &rst ixpk= "0," nxpk= "0," iat= "1747," "1755," r1= "1.30," r2= "1.80," r3= "5.24," r4= "5.74," &end # # 3053 TRP H 3053 TRP QB 4.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "1747," "-1," r1= "1.30," r2= "1.80," r3= "4.42," r4= "4.92," igr2= "1751," "1752," &end # # 1822 GLN QG 3053 TRP H 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1747," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "913," "914," &end # # 1822 GLN QB 3053 TRP H 5.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1747," r1= "1.30," r2= "1.80," r3= "5.66," r4= "6.16," igr1= "910," "911," &end # # 3050 ILE QG1 3053 TRP H 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1747," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1706," "1707," &end # # 1829 TYR QE 3041 ASP- H 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1568," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1022," "1027," &end # # 3040 MET HA 3041 ASP- H 3.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "1553," "1568," r1= "1.30," r2= "1.80," r3= "3.14," r4= "3.64," &end # # 3041 ASP- H 3041 ASP- QB 3.54 (# ) &rst ixpk= "0," nxpk= "0," iat= "1568," "-1," r1= "1.30," r2= "1.80," r3= "3.54," r4= "4.04," igr2= "1572," "1573," &end # # 3039 ALA QB 3041 ASP- H 6.35 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1568," r1= "1.30," r2= "1.80," r3= "6.35," r4= "6.85," igr1= "1545," "1546," "1547," &end # # 1853 GLN QG 1854 GLN H 6.11 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1436," r1= "1.30," r2= "1.80," r3= "6.11," r4= "6.61," igr1= "1426," "1427," &end # # 1854 GLN H 1854 GLN QG 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "1436," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "1443," "1444," &end # # 1806 THR H 1808 GLY H 4.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "671," "707," r1= "1.30," r2= "1.80," r3= "4.86," r4= "5.36," &end # # 1807 LYS+ H 1808 GLY H 3.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "685," "707," r1= "1.30," r2= "1.80," r3= "3.19," r4= "3.69," &end # # 1806 THR HA 1808 GLY H 4.54 (# ) &rst ixpk= "0," nxpk= "0," iat= "673," "707," r1= "1.30," r2= "1.80," r3= "4.54," r4= "5.04," &end # # 1807 LYS+ QB 1808 GLY H 3.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "707," r1= "1.30," r2= "1.80," r3= "3.60," r4= "4.10," igr1= "689," "690," &end # # 1808 GLY H 1809 CYS- HB+ 5.04 (# ) &rst ixpk= "0," nxpk= "0," iat= "707," "-1," r1= "1.30," r2= "1.80," r3= "5.04," r4= "5.54," igr2= "719," "718," &end # # 1775 ARG+ H 1776 CYS H 3.44 (# ) &rst ixpk= "0," nxpk= "0," iat= "184," "208," r1= "1.30," r2= "1.80," r3= "3.44," r4= "3.94," &end # # 1774 GLN HA 1776 CYS H 4.76 (# ) &rst ixpk= "0," nxpk= "0," iat= "169," "208," r1= "1.30," r2= "1.80," r3= "4.76," r4= "5.26," &end # # 1773 ILE HA 1776 CYS H 4.26 (# ) &rst ixpk= "0," nxpk= "0," iat= "150," "208," r1= "1.30," r2= "1.80," r3= "4.26," r4= "4.76," &end # # 1776 CYS H 1776 CYS HB+ 3.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "208," "-1," r1= "1.30," r2= "1.80," r3= "3.61," r4= "4.11," igr2= "212," "213," &end # # 1776 CYS H 1776 CYS HB- 3.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "208," "-1," r1= "1.30," r2= "1.80," r3= "3.61," r4= "4.11," igr2= "212," "213," &end # # 1774 GLN HB- 1776 CYS H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "208," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "171," "172," &end # # 1776 CYS H 1777 ILE HB 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "208," "223," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1775 ARG+ QB 1776 CYS H 4.04 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "208," r1= "1.30," r2= "1.80," r3= "4.04," r4= "4.54," igr1= "188," "189," &end # # 1775 ARG+ QG 1776 CYS H 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "208," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "191," "192," &end # # 1776 CYS H 3050 ILE QD1 6.21 (# ) &rst ixpk= "0," nxpk= "0," iat= "208," "-1," r1= "1.30," r2= "1.80," r3= "6.21," r4= "6.71," igr2= "1709," "1710," "1711," &end # # 3048 ASP- HA 3051 GLU- H 4.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "1674," "1715," r1= "1.30," r2= "1.80," r3= "4.34," r4= "4.84," &end # # 3049 ASP- QB 3051 GLU- H 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1715," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1688," "1689," &end # # 1803 VAL HB 1804 GLN H 4 (# ) &rst ixpk= "0," nxpk= "0," iat= "625," "637," r1= "1.30," r2= "1.80," r3= "4.00," r4= "4.50," &end # # 3051 GLU- H 3051 GLU- HB- 3.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "1715," "-1," r1= "1.30," r2= "1.80," r3= "3.72," r4= "4.22," igr2= "1719," "1720," &end # # 3050 ILE HB 3051 GLU- H 4.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "1700," "1715," r1= "1.30," r2= "1.80," r3= "4.96," r4= "5.46," &end # # 3050 ILE QG2 3051 GLU- H 5.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1715," r1= "1.30," r2= "1.80," r3= "5.70," r4= "6.20," igr1= "1702," "1703," "1704," &end # # 3050 ILE QD1 3051 GLU- H 6.08 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1715," r1= "1.30," r2= "1.80," r3= "6.08," r4= "6.58," igr1= "1709," "1710," "1711," &end # # 3042 ASP- H 3043 LEU H 3.8 (# ) &rst ixpk= "0," nxpk= "0," iat= "1580," "1592," r1= "1.30," r2= "1.80," r3= "3.80," r4= "4.30," &end # # 3041 ASP- HA 3042 ASP- H 3.47 (# ) &rst ixpk= "0," nxpk= "0," iat= "1570," "1580," r1= "1.30," r2= "1.80," r3= "3.47," r4= "3.97," &end # # 1775 ARG+ H 1775 ARG+ QD 5.54 (# ) &rst ixpk= "0," nxpk= "0," iat= "184," "-1," r1= "1.30," r2= "1.80," r3= "5.54," r4= "6.04," igr2= "194," "195," &end # # 1774 GLN HB- 1775 ARG+ H 4.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "184," r1= "1.30," r2= "1.80," r3= "4.72," r4= "5.22," igr1= "171," "172," &end # # 1775 ARG+ H 1775 ARG+ QB 4.68 (# ) &rst ixpk= "0," nxpk= "0," iat= "184," "-1," r1= "1.30," r2= "1.80," r3= "4.68," r4= "5.18," igr2= "188," "189," &end # # 1775 ARG+ H 1775 ARG+ QG 5.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "184," "-1," r1= "1.30," r2= "1.80," r3= "5.88," r4= "6.38," igr2= "191," "192," &end # # 1769 ARG+ H 1770 ARG+ H 3.81 (# ) &rst ixpk= "0," nxpk= "0," iat= "70," "94," r1= "1.30," r2= "1.80," r3= "3.81," r4= "4.31," &end # # 1770 ARG+ H 1771 LEU H 4.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "94," "118," r1= "1.30," r2= "1.80," r3= "4.01," r4= "4.51," &end # # 1766 GLN HA 1770 ARG+ H 5.48 (# ) &rst ixpk= "0," nxpk= "0," iat= "29," "94," r1= "1.30," r2= "1.80," r3= "5.48," r4= "5.98," &end # # 1767 GLU- HA 1770 ARG+ H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "46," "94," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1770 ARG+ H 1770 ARG+ QD 5.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "94," "-1," r1= "1.30," r2= "1.80," r3= "5.85," r4= "6.35," igr2= "104," "105," &end # # 1769 ARG+ HG+ 1770 ARG+ H 3.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "94," r1= "1.30," r2= "1.80," r3= "3.92," r4= "4.42," igr1= "77," "78," &end # # 1769 ARG+ HG- 1770 ARG+ H 3.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "94," r1= "1.30," r2= "1.80," r3= "3.92," r4= "4.42," igr1= "77," "78," &end # # 1770 ARG+ H 1773 ILE QG2 7.21 (# ) &rst ixpk= "0," nxpk= "0," iat= "94," "-1," r1= "1.30," r2= "1.80," r3= "7.21," r4= "7.71," igr2= "154," "155," "156," &end # # 1769 ARG+ QB 1770 ARG+ H 4.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "94," r1= "1.30," r2= "1.80," r3= "4.30," r4= "4.80," igr1= "74," "75," &end # # 1770 ARG+ H 1770 ARG+ QB 4.69 (# ) &rst ixpk= "0," nxpk= "0," iat= "94," "-1," r1= "1.30," r2= "1.80," r3= "4.69," r4= "5.19," igr2= "98," "99," &end # # 1774 GLN H 1829 TYR QE 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "167," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "1022," "1027," &end # # 1771 LEU HA 1774 GLN H 3.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "120," "167," r1= "1.30," r2= "1.80," r3= "3.93," r4= "4.43," &end # # 1774 GLN H 1774 GLN HG- 3.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "167," "-1," r1= "1.30," r2= "1.80," r3= "3.72," r4= "4.22," igr2= "174," "175," &end # # 1774 GLN H 1774 GLN HB- 2.94 (# ) &rst ixpk= "0," nxpk= "0," iat= "167," "-1," r1= "1.30," r2= "1.80," r3= "2.94," r4= "3.44," igr2= "171," "172," &end # # 1773 ILE QG2 1774 GLN H 4.8 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "167," r1= "1.30," r2= "1.80," r3= "4.80," r4= "5.30," igr1= "154," "155," "156," &end # # 3039 ALA QB 3040 MET H 6.29 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1551," r1= "1.30," r2= "1.80," r3= "6.29," r4= "6.79," igr1= "1545," "1546," "1547," &end # # 1773 ILE QG1 1774 GLN H 5.21 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "167," r1= "1.30," r2= "1.80," r3= "5.21," r4= "5.71," igr1= "158," "159," &end # # 3044 MET H 3044 MET QE 5.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "1611," "-1," r1= "1.30," r2= "1.80," r3= "5.46," r4= "5.96," igr2= "1622," "1623," "1624," &end # # 1766 GLN H 1767 GLU- H 4.28 (# ) &rst ixpk= "0," nxpk= "0," iat= "27," "44," r1= "1.30," r2= "1.80," r3= "4.28," r4= "4.78," &end # # 1765 PRO HD- 1766 GLN H 4.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "27," r1= "1.30," r2= "1.80," r3= "4.88," r4= "5.38," igr1= "14," "15," &end # # 1777 ILE H 1779 SER H 4.47 (# ) &rst ixpk= "0," nxpk= "0," iat= "219," "255," r1= "1.30," r2= "1.80," r3= "4.47," r4= "4.97," &end # # 1779 SER H 1781 VAL H 4.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "255," "285," r1= "1.30," r2= "1.80," r3= "4.98," r4= "5.48," &end # # 1778 GLN H 1779 SER H 3.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "238," "255," r1= "1.30," r2= "1.80," r3= "3.23," r4= "3.73," &end # # 1779 SER H 1779 SER HB+ 3.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "255," "-1," r1= "1.30," r2= "1.80," r3= "3.66," r4= "4.16," igr2= "259," "260," &end # # 1779 SER H 1779 SER HB- 3.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "255," "-1," r1= "1.30," r2= "1.80," r3= "3.66," r4= "4.16," igr2= "259," "260," &end # # 1779 SER H 1782 HIS HB+ 5.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "255," "-1," r1= "1.30," r2= "1.80," r3= "5.07," r4= "5.57," igr2= "305," "306," &end # # 1778 GLN HG+ 1779 SER H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "255," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "245," "246," &end # # 1778 GLN HG- 1779 SER H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "255," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "245," "246," &end # # 1779 SER H 1799 MET HG+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "255," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "549," "550," &end # # 1778 GLN HB+ 1779 SER H 4.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "255," r1= "1.30," r2= "1.80," r3= "4.14," r4= "4.64," igr1= "242," "243," &end # # 1778 GLN HB- 1779 SER H 4.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "255," r1= "1.30," r2= "1.80," r3= "4.14," r4= "4.64," igr1= "242," "243," &end # # 1779 SER H 1799 MET QE 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "255," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "553," "554," "555," &end # # 1783 ALA H 1784 CYS H 3.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "318," "328," r1= "1.30," r2= "1.80," r3= "3.43," r4= "3.93," &end # # 1781 VAL HA 1784 CYS H 3.45 (# ) &rst ixpk= "0," nxpk= "0," iat= "287," "328," r1= "1.30," r2= "1.80," r3= "3.45," r4= "3.95," &end # # 1784 CYS H 1784 CYS HB+ 3.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "328," "-1," r1= "1.30," r2= "1.80," r3= "3.73," r4= "4.23," igr2= "332," "333," &end # # 1784 CYS H 1784 CYS HB- 3.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "328," "-1," r1= "1.30," r2= "1.80," r3= "3.73," r4= "4.23," igr2= "332," "333," &end # # 1783 ALA QB 1784 CYS H 4.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "328," r1= "1.30," r2= "1.80," r3= "4.23," r4= "4.73," igr1= "322," "323," "324," &end # # 1780 LEU QQD 1784 CYS H 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "328," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "275," "276," "277," "279," "280," "281," &end # # 1780 LEU QQD 1784 CYS H 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "328," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "275," "276," "277," "279," "280," "281," &end # # 1790 ASN H 1790 ASN HD2+ 4.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "414," "-1," r1= "1.30," r2= "1.80," r3= "4.20," r4= "4.70," igr2= "423," "424," &end # # 1837 ASN QB 1837 ASN HD2+ 4.59 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.59," r4= "5.09," igr1= "1146," "1147," igr2= "1151," "1152," &end # # 1790 ASN H 1790 ASN HD2- 4.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "414," "-1," r1= "1.30," r2= "1.80," r3= "4.20," r4= "4.70," igr2= "423," "424," &end # # 1837 ASN QB 1837 ASN HD2- 4.59 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.59," r4= "5.09," igr1= "1146," "1147," igr2= "1151," "1152," &end # # 3055 THR H 3055 THR QG2 4.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "1791," "-1," r1= "1.30," r2= "1.80," r3= "4.74," r4= "5.24," igr2= "1797," "1798," "1799," &end # # 1782 HIS HA 1785 GLN HE2- 5.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "303," "-1," r1= "1.30," r2= "1.80," r3= "5.18," r4= "5.68," igr2= "351," "352," &end # # 1781 VAL HA 1785 GLN HE2- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "287," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "351," "352," &end # # 1782 HIS HA 1785 GLN HE2+ 5.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "303," "-1," r1= "1.30," r2= "1.80," r3= "5.18," r4= "5.68," igr2= "351," "352," &end # # 1781 VAL HA 1785 GLN HE2+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "287," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "351," "352," &end # # 1814 ASN H 1814 ASN HD2- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "806," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "815," "816," &end # # 1814 ASN QB 1814 ASN HD2- 4.36 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.36," r4= "4.86," igr1= "810," "811," igr2= "815," "816," &end # # 1814 ASN QB 1814 ASN HD2+ 4.36 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.36," r4= "4.86," igr1= "810," "811," igr2= "815," "816," &end # # 1814 ASN H 1814 ASN HD2+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "806," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "815," "816," &end # # 1854 GLN QG 1854 GLN HE2- 4.58 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.58," r4= "5.08," igr1= "1443," "1444," igr2= "1448," "1449," &end # # 1854 GLN QG 1854 GLN HE2+ 4.58 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.58," r4= "5.08," igr1= "1443," "1444," igr2= "1448," "1449," &end # # 1774 GLN HE2- 1777 ILE H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "219," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "179," "180," &end # # 1788 ASN HD2- 1792 SER H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "438," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "399," "400," &end # # 1788 ASN HD2- 1790 ASN H 5.02 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "414," r1= "1.30," r2= "1.80," r3= "5.02," r4= "5.52," igr1= "399," "400," &end # # 1788 ASN HD2- 1791 CYS- HA 3.9 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "430," r1= "1.30," r2= "1.80," r3= "3.90," r4= "4.40," igr1= "399," "400," &end # # 1788 ASN HD2+ 1791 CYS- HA 3.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "430," r1= "1.30," r2= "1.80," r3= "3.96," r4= "4.46," igr1= "399," "400," &end # # 1788 ASN HD2+ 1790 ASN H 5.04 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "414," r1= "1.30," r2= "1.80," r3= "5.04," r4= "5.54," igr1= "399," "400," &end # # 1774 GLN H 1774 GLN HE2+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "167," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "179," "180," &end # # 1774 GLN HG- 1774 GLN HE2+ 3.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.60," r4= "4.10," igr1= "174," "175," igr2= "179," "180," &end # # 1774 GLN H 1774 GLN HE2- 4.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "167," "-1," r1= "1.30," r2= "1.80," r3= "4.17," r4= "4.67," igr2= "179," "180," &end # # 1854 GLN H 1854 GLN HE2+ 4.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "1436," "-1," r1= "1.30," r2= "1.80," r3= "4.30," r4= "4.80," igr2= "1448," "1449," &end # # 3058 PRO HA 3059 GLY H 3.47 (# ) &rst ixpk= "0," nxpk= "0," iat= "1842," "1846," r1= "1.30," r2= "1.80," r3= "3.47," r4= "3.97," &end # # 3051 GLU- H 3052 GLN H 3.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "1715," "1730," r1= "1.30," r2= "1.80," r3= "3.53," r4= "4.03," &end # # 3051 GLU- HB- 3052 GLN H 5.08 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1730," r1= "1.30," r2= "1.80," r3= "5.08," r4= "5.58," igr1= "1719," "1720," &end # # 1791 CYS- HA 1793 LEU H 4.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "430," "449," r1= "1.30," r2= "1.80," r3= "4.43," r4= "4.93," &end # # 1793 LEU H 1796 CYSZ HB- 4.62 (# ) &rst ixpk= "0," nxpk= "0," iat= "449," "-1," r1= "1.30," r2= "1.80," r3= "4.62," r4= "5.12," igr2= "498," "497," &end # # 1768 SER H 1769 ARG+ H 3.77 (# ) &rst ixpk= "0," nxpk= "0," iat= "59," "70," r1= "1.30," r2= "1.80," r3= "3.77," r4= "4.27," &end # # 1767 GLU- H 1768 SER H 3.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "44," "59," r1= "1.30," r2= "1.80," r3= "3.18," r4= "3.68," &end # # 1768 SER H 1768 SER QB 3.75 (# ) &rst ixpk= "0," nxpk= "0," iat= "59," "-1," r1= "1.30," r2= "1.80," r3= "3.75," r4= "4.25," igr2= "63," "64," &end # # 1812 LYS+ HA 1817 CYS- H 4.82 (# ) &rst ixpk= "0," nxpk= "0," iat= "772," "834," r1= "1.30," r2= "1.80," r3= "4.82," r4= "5.32," &end # # 3049 ASP- H 3050 ILE H 4.25 (# ) &rst ixpk= "0," nxpk= "0," iat= "1684," "1696," r1= "1.30," r2= "1.80," r3= "4.25," r4= "4.75," &end # # 3049 ASP- H 3049 ASP- QB 4.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "1684," "-1," r1= "1.30," r2= "1.80," r3= "4.14," r4= "4.64," igr2= "1688," "1689," &end # # 1770 ARG+ HG- 1771 LEU H 4.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "118," r1= "1.30," r2= "1.80," r3= "4.70," r4= "5.20," igr1= "101," "102," &end # # 1770 ARG+ HG+ 1771 LEU H 4.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "118," r1= "1.30," r2= "1.80," r3= "4.70," r4= "5.20," igr1= "101," "102," &end # # 1771 LEU H 1771 LEU HG 5.03 (# ) &rst ixpk= "0," nxpk= "0," iat= "118," "125," r1= "1.30," r2= "1.80," r3= "5.03," r4= "5.53," &end # # 1853 GLN H 1855 GLN H 4.89 (# ) &rst ixpk= "0," nxpk= "0," iat= "1419," "1453," r1= "1.30," r2= "1.80," r3= "4.89," r4= "5.39," &end # # 1855 GLN H 1855 GLN QG 4.48 (# ) &rst ixpk= "0," nxpk= "0," iat= "1453," "-1," r1= "1.30," r2= "1.80," r3= "4.48," r4= "4.98," igr2= "1460," "1461," &end # # 1854 GLN H 1854 GLN HE2- 4.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "1436," "-1," r1= "1.30," r2= "1.80," r3= "4.30," r4= "4.80," igr2= "1448," "1449," &end # # 1823 LEU H 1823 LEU HB- 3.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "923," "-1," r1= "1.30," r2= "1.80," r3= "3.85," r4= "4.35," igr2= "927," "928," &end # # 1822 GLN QB 1823 LEU H 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "923," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "910," "911," &end # # 1807 LYS+ QB 1808 GLY HA+ 5.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.52," r4= "6.02," igr1= "689," "690," igr2= "709," "710," &end # # 1807 LYS+ QB 1808 GLY HA- 5.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.52," r4= "6.02," igr1= "689," "690," igr2= "709," "710," &end # # 1811 ARG+ QB 1816 GLY HA- 6.06 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.06," r4= "6.56," igr1= "750," "751," igr2= "829," "830," &end # # 1811 ARG+ QB 1816 GLY HA+ 6.06 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.06," r4= "6.56," igr1= "750," "751," igr2= "829," "830," &end # # 1831 ALA QB 1832 LYS+ HA 6.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1062," r1= "1.30," r2= "1.80," r3= "6.41," r4= "6.91," igr1= "1054," "1055," "1056," &end # # 1780 LEU HA 1783 ALA QB 4.8 (# ) &rst ixpk= "0," nxpk= "0," iat= "268," "-1," r1= "1.30," r2= "1.80," r3= "4.80," r4= "5.30," igr2= "322," "323," "324," &end # # 1828 CYS HB- 1831 ALA QB 5.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.96," r4= "6.46," igr1= "1005," "1006," igr2= "1054," "1055," "1056," &end # # 1831 ALA QB 1834 CYS- HB+ 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1054," "1055," "1056," igr2= "1105," "1104," &end # # 1831 ALA QB 1847 ILE QG2 4.31 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.31," r4= "4.81," igr1= "1054," "1055," "1056," igr2= "1301," "1302," "1303," &end # # 1831 ALA QB 1832 LYS+ HG+ 5.09 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.09," r4= "5.59," igr1= "1054," "1055," "1056," igr2= "1067," "1068," &end # # 1783 ALA QB 1799 MET HA 5.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "544," r1= "1.30," r2= "1.80," r3= "5.84," r4= "6.34," igr1= "322," "323," "324," &end # # 1782 HIS HB+ 1783 ALA QB 6.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.53," r4= "7.03," igr1= "305," "306," igr2= "322," "323," "324," &end # # 1783 ALA QB 1796 CYSZ HB- 5.69 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.69," r4= "6.19," igr1= "322," "323," "324," igr2= "498," "497," &end # # 1783 ALA QB 1799 MET HG- 6.4 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.40," r4= "6.90," igr1= "322," "323," "324," igr2= "549," "550," &end # # 1783 ALA QB 1799 MET HB- 4.8 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.80," r4= "5.30," igr1= "322," "323," "324," igr2= "546," "547," &end # # 1789 ALA QB 1790 ASN HB- 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "408," "409," "410," igr2= "418," "419," &end # # 1825 ALA QB 3053 TRP HE3 6.04 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1766," r1= "1.30," r2= "1.80," r3= "6.04," r4= "6.54," igr1= "965," "966," "967," &end # # 1825 ALA QB 3053 TRP HZ3 4.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1764," r1= "1.30," r2= "1.80," r3= "4.52," r4= "5.02," igr1= "965," "966," "967," &end # # 1825 ALA QB 3053 TRP HH2 4.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1762," r1= "1.30," r2= "1.80," r3= "4.83," r4= "5.33," igr1= "965," "966," "967," &end # # 1822 GLN HA 1825 ALA QB 4.08 (# ) &rst ixpk= "0," nxpk= "0," iat= "908," "-1," r1= "1.30," r2= "1.80," r3= "4.08," r4= "4.58," igr2= "965," "966," "967," &end # # 1825 ALA QB 1828 CYS HB+ 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "965," "966," "967," igr2= "1005," "1006," &end # # 1825 ALA QB 1829 TYR HB- 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "965," "966," "967," igr2= "1016," "1017," &end # # 1825 ALA QB 1828 CYS HB- 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "965," "966," "967," igr2= "1005," "1006," &end # # 1825 ALA QB 3053 TRP QB 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "965," "966," "967," igr2= "1751," "1752," &end # # 1825 ALA QB 3044 MET QE 6.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.88," r4= "7.38," igr1= "965," "966," "967," igr2= "1622," "1623," "1624," &end # # 1773 ILE QD1 1825 ALA QB 7.37 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.37," r4= "7.87," igr1= "161," "162," "163," igr2= "965," "966," "967," &end # # 1825 ALA QB 3050 ILE QG2 7.37 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.37," r4= "7.87," igr1= "965," "966," "967," igr2= "1702," "1703," "1704," &end # # 1799 MET QE 3054 PHE QE 5.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.30," r4= "5.80," igr1= "553," "554," "555," igr2= "1781," "1785," &end # # 1799 MET QE 3053 TRP HZ3 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1764," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "553," "554," "555," &end # # 1799 MET HA 1799 MET QE 4.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "544," "-1," r1= "1.30," r2= "1.80," r3= "4.92," r4= "5.42," igr2= "553," "554," "555," &end # # 1776 CYS HA 1799 MET QE 5.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "210," "-1," r1= "1.30," r2= "1.80," r3= "5.13," r4= "5.63," igr2= "553," "554," "555," &end # # 1780 LEU HA 1799 MET QE 5.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "268," "-1," r1= "1.30," r2= "1.80," r3= "5.42," r4= "5.92," igr2= "553," "554," "555," &end # # 1777 ILE HA 1799 MET QE 6.27 (# ) &rst ixpk= "0," nxpk= "0," iat= "221," "-1," r1= "1.30," r2= "1.80," r3= "6.27," r4= "6.77," igr2= "553," "554," "555," &end # # 1799 MET QE 3053 TRP QB 7.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.20," r4= "7.70," igr1= "553," "554," "555," igr2= "1751," "1752," &end # # 1799 MET HG+ 1799 MET QE 4.67 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.67," r4= "5.17," igr1= "549," "550," igr2= "553," "554," "555," &end # # 1780 LEU HB- 1799 MET QE 4.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.53," r4= "5.03," igr1= "270," "271," igr2= "553," "554," "555," &end # # 1799 MET QE 3050 ILE QD1 7.44 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.44," r4= "7.94," igr1= "553," "554," "555," igr2= "1709," "1710," "1711," &end # # 1824 ILE QG2 1825 ALA HA 5.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "963," r1= "1.30," r2= "1.80," r3= "5.20," r4= "5.70," igr1= "948," "949," "950," &end # # 1783 ALA HA 1800 LYS+ HE- 4.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "320," "-1," r1= "1.30," r2= "1.80," r3= "4.23," r4= "4.73," igr2= "572," "573," &end # # 1783 ALA HA 1796 CYSZ HB- 5.26 (# ) &rst ixpk= "0," nxpk= "0," iat= "320," "-1," r1= "1.30," r2= "1.80," r3= "5.26," r4= "5.76," igr2= "498," "497," &end # # 1783 ALA HA 1786 CYS- HB+ 3.35 (# ) &rst ixpk= "0," nxpk= "0," iat= "320," "-1," r1= "1.30," r2= "1.80," r3= "3.35," r4= "3.85," igr2= "361," "360," &end # # 1783 ALA HA 1786 CYS- HB- 3.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "320," "-1," r1= "1.30," r2= "1.80," r3= "3.32," r4= "3.82," igr2= "361," "360," &end # # 1830 HIS HE1 1831 ALA HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1043," "1052," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1830 HIS HD2 1831 ALA HA 3.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1046," "1052," r1= "1.30," r2= "1.80," r3= "3.50," r4= "4.00," &end # # 1831 ALA HA 1848 LYS+ HE+ 5.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "1052," "-1," r1= "1.30," r2= "1.80," r3= "5.18," r4= "5.68," igr2= "1327," "1328," &end # # 1831 ALA HA 1844 CYSZ HB- 4.62 (# ) &rst ixpk= "0," nxpk= "0," iat= "1052," "-1," r1= "1.30," r2= "1.80," r3= "4.62," r4= "5.12," igr2= "1257," "1256," &end # # 1831 ALA HA 1848 LYS+ HE- 5.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "1052," "-1," r1= "1.30," r2= "1.80," r3= "5.18," r4= "5.68," igr2= "1327," "1328," &end # # 1831 ALA HA 1847 ILE HB 5.22 (# ) &rst ixpk= "0," nxpk= "0," iat= "1052," "1299," r1= "1.30," r2= "1.80," r3= "5.22," r4= "5.72," &end # # 1831 ALA HA 1848 LYS+ HG+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1052," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "1321," "1322," &end # # 1831 ALA HA 1847 ILE QD1 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "1052," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "1308," "1309," "1310," &end # # 1789 ALA HA 1791 CYS- QB 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "406," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "433," "432," &end # # 1788 ASN HA 1789 ALA HA 5.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "392," "406," r1= "1.30," r2= "1.80," r3= "5.46," r4= "5.96," &end # # 1789 ALA HA 1790 ASN HA 5.36 (# ) &rst ixpk= "0," nxpk= "0," iat= "406," "416," r1= "1.30," r2= "1.80," r3= "5.36," r4= "5.86," &end # # 1787 ARG+ HB+ 1788 ASN HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "392," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "370," "371," &end # # 1787 ARG+ HB- 1788 ASN HA 5.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "392," r1= "1.30," r2= "1.80," r3= "5.30," r4= "5.80," igr1= "370," "371," &end # # 1788 ASN HA 1789 ALA QB 5.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "392," "-1," r1= "1.30," r2= "1.80," r3= "5.38," r4= "5.88," igr2= "408," "409," "410," &end # # 1789 ALA QB 1790 ASN HA 5.76 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "416," r1= "1.30," r2= "1.80," r3= "5.76," r4= "6.26," igr1= "408," "409," "410," &end # # 1789 ALA QB 1790 ASN HB+ 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "408," "409," "410," igr2= "418," "419," &end # # 1813 THR HA 1814 ASN HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "794," "808," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1814 ASN HA 1815 GLY QA 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "808," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "822," "823," &end # # 1814 ASN HA 1814 ASN QB 3.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "808," "-1," r1= "1.30," r2= "1.80," r3= "3.30," r4= "3.80," igr2= "810," "811," &end # # 1813 THR QG2 1814 ASN HA 6.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "808," r1= "1.30," r2= "1.80," r3= "6.16," r4= "6.66," igr1= "798," "799," "800," &end # # 1811 ARG+ HA 1814 ASN QB 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "748," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "810," "811," &end # # 1837 ASN HA 1837 ASN QB 3.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "1144," "-1," r1= "1.30," r2= "1.80," r3= "3.38," r4= "3.88," igr2= "1146," "1147," &end # # 1837 ASN QB 1845 LEU QQD 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "1146," "1147," igr2= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1837 ASN QB 1845 LEU QQD 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "1146," "1147," igr2= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1837 ASN HA 1845 LEU QQD 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "1144," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1837 ASN HA 1845 LEU QQD 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "1144," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1843 PHE QD 1846 ASN QB 5.9 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.90," r4= "6.40," igr1= "1240," "1248," igr2= "1285," "1286," &end # # 1846 ASN QB 1847 ILE HG13 4.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1306," r1= "1.30," r2= "1.80," r3= "4.16," r4= "4.66," igr1= "1285," "1286," &end # # 1845 LEU HB+ 1846 ASN QB 5.89 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.89," r4= "6.39," igr1= "1266," "1267," igr2= "1285," "1286," &end # # 1846 ASN QB 1850 LYS+ HG- 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1285," "1286," igr2= "1361," "1362," &end # # 1846 ASN QB 1847 ILE QD1 5.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.86," r4= "6.36," igr1= "1285," "1286," igr2= "1308," "1309," "1310," &end # # 1846 ASN HA 1849 HIS HD2 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1283," "1350," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1846 ASN HA 1849 HIS QB 3.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "1283," "-1," r1= "1.30," r2= "1.80," r3= "3.38," r4= "3.88," igr2= "1340," "1341," &end # # 1846 ASN HA 1846 ASN QB 2.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "1283," "-1," r1= "1.30," r2= "1.80," r3= "2.88," r4= "3.38," igr2= "1285," "1286," &end # # 1814 ASN QB 1815 GLY QA 4.8 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.80," r4= "5.30," igr1= "810," "811," igr2= "822," "823," &end # # 1811 ARG+ QB 1815 GLY QA 4.91 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.91," r4= "5.41," igr1= "750," "751," igr2= "822," "823," &end # # 1776 CYS HB+ 1799 MET QE 5.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.66," r4= "6.16," igr1= "212," "213," igr2= "553," "554," "555," &end # # 1776 CYS HB+ 1826 LEU QQD 4.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.70," r4= "5.20," igr1= "212," "213," igr2= "980," "981," "982," "984," "985," "986," &end # # 1776 CYS HB+ 1826 LEU QQD 4.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.70," r4= "5.20," igr1= "212," "213," igr2= "980," "981," "982," "984," "985," "986," &end # # 1776 CYS HB+ 3050 ILE QD1 4.71 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.71," r4= "5.21," igr1= "212," "213," igr2= "1709," "1710," "1711," &end # # 1776 CYS HB- 3050 ILE QD1 4.71 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.71," r4= "5.21," igr1= "212," "213," igr2= "1709," "1710," "1711," &end # # 1776 CYS HB- 1799 MET QE 5.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.66," r4= "6.16," igr1= "212," "213," igr2= "553," "554," "555," &end # # 1773 ILE HA 1776 CYS HB- 4.04 (# ) &rst ixpk= "0," nxpk= "0," iat= "150," "-1," r1= "1.30," r2= "1.80," r3= "4.04," r4= "4.54," igr2= "212," "213," &end # # 1783 ALA QB 1784 CYS HB+ 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "322," "323," "324," igr2= "332," "333," &end # # 1783 ALA QB 1784 CYS HB- 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "322," "323," "324," igr2= "332," "333," &end # # 1775 ARG+ QB 1776 CYS HA 5.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "210," r1= "1.30," r2= "1.80," r3= "5.30," r4= "5.80," igr1= "188," "189," &end # # 1783 ALA QB 1784 CYS HA 5.68 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "330," r1= "1.30," r2= "1.80," r3= "5.68," r4= "6.18," igr1= "322," "323," "324," &end # # 1784 CYS HA 1803 VAL QG1 5.09 (# ) &rst ixpk= "0," nxpk= "0," iat= "330," "-1," r1= "1.30," r2= "1.80," r3= "5.09," r4= "5.59," igr2= "627," "628," "629," &end # # 1791 CYS- HA 1791 CYS- QB 3.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "430," "-1," r1= "1.30," r2= "1.80," r3= "3.01," r4= "3.51," igr2= "433," "432," &end # # 1788 ASN HA 1791 CYS- QB 5.89 (# ) &rst ixpk= "0," nxpk= "0," iat= "392," "-1," r1= "1.30," r2= "1.80," r3= "5.89," r4= "6.39," igr2= "433," "432," &end # # 1790 ASN HA 1791 CYS- QB 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "416," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "433," "432," &end # # 1791 CYS- QB 1793 LEU HB- 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "433," "432," igr2= "453," "454," &end # # 1824 ILE HA 1827 CYS HB+ 3.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "944," "-1," r1= "1.30," r2= "1.80," r3= "3.83," r4= "4.33," igr2= "994," "995," &end # # 1823 LEU HG 1827 CYS HB+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "930," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "994," "995," &end # # 1827 CYS HB+ 1847 ILE QD1 3.48 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.48," r4= "3.98," igr1= "994," "995," igr2= "1308," "1309," "1310," &end # # 1827 CYS HB- 1847 ILE QD1 3.48 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.48," r4= "3.98," igr1= "994," "995," igr2= "1308," "1309," "1310," &end # # 1823 LEU HG 1827 CYS HB- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "930," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "994," "995," &end # # 1824 ILE HA 1827 CYS HB- 3.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "944," "-1," r1= "1.30," r2= "1.80," r3= "3.83," r4= "4.33," igr2= "994," "995," &end # # 1827 CYS HB- 1843 PHE QD 4.65 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.65," r4= "5.15," igr1= "994," "995," igr2= "1240," "1248," &end # # 1827 CYS HA 1830 HIS HD2 4.35 (# ) &rst ixpk= "0," nxpk= "0," iat= "992," "1046," r1= "1.30," r2= "1.80," r3= "4.35," r4= "4.85," &end # # 1827 CYS HA 1830 HIS HB+ 3.06 (# ) &rst ixpk= "0," nxpk= "0," iat= "992," "-1," r1= "1.30," r2= "1.80," r3= "3.06," r4= "3.56," igr2= "1037," "1038," &end # # 1828 CYS HA 1831 ALA QB 4.04 (# ) &rst ixpk= "0," nxpk= "0," iat= "1003," "-1," r1= "1.30," r2= "1.80," r3= "4.04," r4= "4.54," igr2= "1054," "1055," "1056," &end # # 1828 CYS HA 1847 ILE QG2 3.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "1003," "-1," r1= "1.30," r2= "1.80," r3= "3.23," r4= "3.73," igr2= "1301," "1302," "1303," &end # # 1828 CYS HB+ 3044 MET QE 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1005," "1006," igr2= "1622," "1623," "1624," &end # # 1828 CYS HB+ 1831 ALA QB 5.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.96," r4= "6.46," igr1= "1005," "1006," igr2= "1054," "1055," "1056," &end # # 1828 CYS HB- 3044 MET QE 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1005," "1006," igr2= "1622," "1623," "1624," &end # # 1786 CYS- HB+ 1800 LYS+ HE- 3.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.61," r4= "4.11," igr1= "361," "360," igr2= "572," "573," &end # # 1783 ALA QB 1786 CYS- HB+ 5.25 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.25," r4= "5.75," igr1= "322," "323," "324," igr2= "361," "360," &end # # 1786 CYS- HB- 1800 LYS+ HE- 4.05 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.05," r4= "4.55," igr1= "361," "360," igr2= "572," "573," &end # # 1786 CYS- HB- 1800 LYS+ HE+ 4.05 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.05," r4= "4.55," igr1= "361," "360," igr2= "572," "573," &end # # 1820 CYSZ HB+ 1821 LYS+ HA 5.04 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "886," r1= "1.30," r2= "1.80," r3= "5.04," r4= "5.54," igr1= "879," "878," &end # # 1821 LYS+ HA 1824 ILE HB 3.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "886," "946," r1= "1.30," r2= "1.80," r3= "3.18," r4= "3.68," &end # # 1821 LYS+ HA 1821 LYS+ HG+ 3.49 (# ) &rst ixpk= "0," nxpk= "0," iat= "886," "-1," r1= "1.30," r2= "1.80," r3= "3.49," r4= "3.99," igr2= "891," "892," &end # # 1821 LYS+ HA 1821 LYS+ HG- 3.49 (# ) &rst ixpk= "0," nxpk= "0," iat= "886," "-1," r1= "1.30," r2= "1.80," r3= "3.49," r4= "3.99," igr2= "891," "892," &end # # 1821 LYS+ HA 1824 ILE QG2 4.59 (# ) &rst ixpk= "0," nxpk= "0," iat= "886," "-1," r1= "1.30," r2= "1.80," r3= "4.59," r4= "5.09," igr2= "948," "949," "950," &end # # 1805 HIS HE1 1809 CYS- HA 4.27 (# ) &rst ixpk= "0," nxpk= "0," iat= "664," "716," r1= "1.30," r2= "1.80," r3= "4.27," r4= "4.77," &end # # 1805 HIS HE1 1809 CYS- HB+ 4.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "664," "-1," r1= "1.30," r2= "1.80," r3= "4.96," r4= "5.46," igr2= "719," "718," &end # # 1805 HIS HD2 1809 CYS- HB+ 5.48 (# ) &rst ixpk= "0," nxpk= "0," iat= "667," "-1," r1= "1.30," r2= "1.80," r3= "5.48," r4= "5.98," igr2= "719," "718," &end # # 1806 THR HA 1809 CYS- HB+ 2.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "673," "-1," r1= "1.30," r2= "1.80," r3= "2.83," r4= "3.33," igr2= "719," "718," &end # # 1805 HIS HE1 1809 CYS- HB- 4.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "664," "-1," r1= "1.30," r2= "1.80," r3= "4.23," r4= "4.73," igr2= "719," "718," &end # # 1812 LYS+ HA 1817 CYS- HB- 4.11 (# ) &rst ixpk= "0," nxpk= "0," iat= "772," "-1," r1= "1.30," r2= "1.80," r3= "4.11," r4= "4.61," igr2= "839," "838," &end # # 1811 ARG+ QD 1817 CYS- HB- 5.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.86," r4= "6.36," igr1= "756," "757," igr2= "839," "838," &end # # 1811 ARG+ QB 1817 CYS- HB- 3.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.61," r4= "4.11," igr1= "750," "751," igr2= "839," "838," &end # # 1811 ARG+ QD 1817 CYS- HB+ 5.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.86," r4= "6.36," igr1= "756," "757," igr2= "839," "838," &end # # 1817 CYS- HA 1818 PRO HD- 3.28 (# ) &rst ixpk= "0," nxpk= "0," iat= "836," "-1," r1= "1.30," r2= "1.80," r3= "3.28," r4= "3.78," igr2= "845," "846," &end # # 1817 CYS- HA 1818 PRO HD+ 3.28 (# ) &rst ixpk= "0," nxpk= "0," iat= "836," "-1," r1= "1.30," r2= "1.80," r3= "3.28," r4= "3.78," igr2= "845," "846," &end # # 1817 CYS- HA 1818 PRO QG 5.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "836," "-1," r1= "1.30," r2= "1.80," r3= "5.46," r4= "5.96," igr2= "848," "849," &end # # 1811 ARG+ QB 1817 CYS- HA 5.08 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "836," r1= "1.30," r2= "1.80," r3= "5.08," r4= "5.58," igr1= "750," "751," &end # # 1830 HIS HE1 1834 CYS- HA 4.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "1043," "1102," r1= "1.30," r2= "1.80," r3= "4.70," r4= "5.20," &end # # 1833 HIS HA 1834 CYS- HA 5.45 (# ) &rst ixpk= "0," nxpk= "0," iat= "1084," "1102," r1= "1.30," r2= "1.80," r3= "5.45," r4= "5.95," &end # # 1834 CYS- HA 1835 GLN HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1102," "1112," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1830 HIS HE1 1834 CYS- HB+ 4.48 (# ) &rst ixpk= "0," nxpk= "0," iat= "1043," "-1," r1= "1.30," r2= "1.80," r3= "4.48," r4= "4.98," igr2= "1105," "1104," &end # # 1830 HIS HD2 1834 CYS- HB+ 5.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "1046," "-1," r1= "1.30," r2= "1.80," r3= "5.23," r4= "5.73," igr2= "1105," "1104," &end # # 1831 ALA HA 1834 CYS- HB+ 2.77 (# ) &rst ixpk= "0," nxpk= "0," iat= "1052," "-1," r1= "1.30," r2= "1.80," r3= "2.77," r4= "3.27," igr2= "1105," "1104," &end # # 1834 CYS- HB+ 1848 LYS+ HE+ 4.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.52," r4= "5.02," igr1= "1105," "1104," igr2= "1327," "1328," &end # # 1834 CYS- HB+ 1848 LYS+ HE- 4.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.52," r4= "5.02," igr1= "1105," "1104," igr2= "1327," "1328," &end # # 1834 CYS- HB- 1844 CYSZ HB- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "1105," "1104," igr2= "1257," "1256," &end # # 1831 ALA HA 1834 CYS- HB- 3.36 (# ) &rst ixpk= "0," nxpk= "0," iat= "1052," "-1," r1= "1.30," r2= "1.80," r3= "3.36," r4= "3.86," igr2= "1105," "1104," &end # # 1839 CYS- HB- 1840 PRO HG- 5.39 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.39," r4= "5.89," igr1= "1183," "1182," igr2= "1192," "1193," &end # # 1839 CYS- HB+ 1848 LYS+ QD 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1183," "1182," igr2= "1324," "1325," &end # # 1836 GLU- HB- 1839 CYS- HB+ 3.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.96," r4= "4.46," igr1= "1131," "1132," igr2= "1183," "1182," &end # # 1836 GLU- HB+ 1839 CYS- HB+ 3.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.96," r4= "4.46," igr1= "1131," "1132," igr2= "1183," "1182," &end # # 1812 LYS+ HB- 1817 CYS- HB- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "774," "775," igr2= "839," "838," &end # # 1839 CYS- HB+ 1840 PRO HD- 5.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.12," r4= "5.62," igr1= "1183," "1182," igr2= "1189," "1190," &end # # 1839 CYS- HB+ 1840 PRO HD+ 5.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.12," r4= "5.62," igr1= "1183," "1182," igr2= "1189," "1190," &end # # 1782 HIS HD2 1796 CYSZ HA 3.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "314," "495," r1= "1.30," r2= "1.80," r3= "3.96," r4= "4.46," &end # # 1796 CYSZ HA 1799 MET HB- 3.8 (# ) &rst ixpk= "0," nxpk= "0," iat= "495," "-1," r1= "1.30," r2= "1.80," r3= "3.80," r4= "4.30," igr2= "546," "547," &end # # 1793 LEU HB+ 1796 CYSZ HA 4.89 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "495," r1= "1.30," r2= "1.80," r3= "4.89," r4= "5.39," igr1= "453," "454," &end # # 1793 LEU QQD 1796 CYSZ HA 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "495," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "458," "459," "460," "462," "463," "464," &end # # 1793 LEU QQD 1796 CYSZ HA 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "495," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "458," "459," "460," "462," "463," "464," &end # # 1782 HIS HD2 1796 CYSZ HB+ 4.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "314," "-1," r1= "1.30," r2= "1.80," r3= "4.83," r4= "5.33," igr2= "498," "497," &end # # 1812 LYS+ HA 1820 CYSZ HB+ 4.22 (# ) &rst ixpk= "0," nxpk= "0," iat= "772," "-1," r1= "1.30," r2= "1.80," r3= "4.22," r4= "4.72," igr2= "879," "878," &end # # 1817 CYS- HB+ 1820 CYSZ HB+ 4.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.07," r4= "4.57," igr1= "839," "838," igr2= "879," "878," &end # # 1812 LYS+ HB- 1820 CYSZ HB+ 4.78 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.78," r4= "5.28," igr1= "774," "775," igr2= "879," "878," &end # # 1812 LYS+ HB+ 1820 CYSZ HB+ 3.81 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.81," r4= "4.31," igr1= "774," "775," igr2= "879," "878," &end # # 1812 LYS+ HG- 1820 CYSZ HB+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "777," "778," igr2= "879," "878," &end # # 1819 VAL QG2 1820 CYSZ HB+ 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "868," "869," "870," igr2= "879," "878," &end # # 1812 LYS+ HB+ 1820 CYSZ HB- 4.35 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.35," r4= "4.85," igr1= "774," "775," igr2= "879," "878," &end # # 1812 LYS+ HB- 1820 CYSZ HB- 5.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.19," r4= "5.69," igr1= "774," "775," igr2= "879," "878," &end # # 1817 CYS- HB+ 1820 CYSZ HB- 3.8 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.80," r4= "4.30," igr1= "839," "838," igr2= "879," "878," &end # # 1805 HIS HD2 1820 CYSZ HA 4.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "667," "876," r1= "1.30," r2= "1.80," r3= "4.60," r4= "5.10," &end # # 1819 VAL HA 1820 CYSZ HA 5.04 (# ) &rst ixpk= "0," nxpk= "0," iat= "860," "876," r1= "1.30," r2= "1.80," r3= "5.04," r4= "5.54," &end # # 1820 CYSZ HA 1823 LEU HB+ 3.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "876," "-1," r1= "1.30," r2= "1.80," r3= "3.32," r4= "3.82," igr2= "927," "928," &end # # 1820 CYSZ HA 1823 LEU HG 5.06 (# ) &rst ixpk= "0," nxpk= "0," iat= "876," "930," r1= "1.30," r2= "1.80," r3= "5.06," r4= "5.56," &end # # 1820 CYSZ HA 1824 ILE HB 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "876," "946," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1806 THR QG2 1820 CYSZ HA 6.11 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "876," r1= "1.30," r2= "1.80," r3= "6.11," r4= "6.61," igr1= "677," "678," "679," &end # # 1820 CYSZ HA 1823 LEU HB- 3.82 (# ) &rst ixpk= "0," nxpk= "0," iat= "876," "-1," r1= "1.30," r2= "1.80," r3= "3.82," r4= "4.32," igr2= "927," "928," &end # # 1819 VAL QG1 1820 CYSZ HA 5.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "876," r1= "1.30," r2= "1.80," r3= "5.87," r4= "6.37," igr1= "864," "865," "866," &end # # 1819 VAL QG2 1820 CYSZ HA 5.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "876," r1= "1.30," r2= "1.80," r3= "5.87," r4= "6.37," igr1= "868," "869," "870," &end # # 1813 THR HA 1820 CYSZ HB+ 5.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "794," "-1," r1= "1.30," r2= "1.80," r3= "5.16," r4= "5.66," igr2= "879," "878," &end # # 1813 THR HA 1821 LYS+ QE 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "794," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "897," "898," &end # # 1813 THR HA 1821 LYS+ HB+ 5 (# ) &rst ixpk= "0," nxpk= "0," iat= "794," "-1," r1= "1.30," r2= "1.80," r3= "5.00," r4= "5.50," igr2= "888," "889," &end # # 1813 THR HA 1813 THR QG2 3.9 (# ) &rst ixpk= "0," nxpk= "0," iat= "794," "-1," r1= "1.30," r2= "1.80," r3= "3.90," r4= "4.40," igr2= "798," "799," "800," &end # # 1831 ALA QB 1844 CYSZ HB- 5.49 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.49," r4= "5.99," igr1= "1054," "1055," "1056," igr2= "1257," "1256," &end # # 1841 VAL QG2 1844 CYSZ HB- 5.28 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.28," r4= "5.78," igr1= "1212," "1213," "1214," igr2= "1257," "1256," &end # # 1841 VAL QG1 1844 CYSZ HB+ 4.54 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.54," r4= "5.04," igr1= "1208," "1209," "1210," igr2= "1257," "1256," &end # # 1831 ALA QB 1844 CYSZ HB+ 5.57 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.57," r4= "6.07," igr1= "1054," "1055," "1056," igr2= "1257," "1256," &end # # 1841 VAL HB 1844 CYSZ HB+ 3.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "1206," "-1," r1= "1.30," r2= "1.80," r3= "3.38," r4= "3.88," igr2= "1257," "1256," &end # # 1830 HIS HD2 1844 CYSZ HB+ 3.81 (# ) &rst ixpk= "0," nxpk= "0," iat= "1046," "-1," r1= "1.30," r2= "1.80," r3= "3.81," r4= "4.31," igr2= "1257," "1256," &end # # 1841 VAL HB 1844 CYSZ HA 4.77 (# ) &rst ixpk= "0," nxpk= "0," iat= "1206," "1254," r1= "1.30," r2= "1.80," r3= "4.77," r4= "5.27," &end # # 1831 ALA QB 1844 CYSZ HA 4.05 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1254," r1= "1.30," r2= "1.80," r3= "4.05," r4= "4.55," igr1= "1054," "1055," "1056," &end # # 1844 CYSZ HA 1847 ILE QD1 3.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "1254," "-1," r1= "1.30," r2= "1.80," r3= "3.66," r4= "4.16," igr2= "1308," "1309," "1310," &end # # 1841 VAL QG2 1844 CYSZ HA 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1254," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1212," "1213," "1214," &end # # 1806 THR QG2 1843 PHE QE 4.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.97," r4= "5.47," igr1= "677," "678," "679," igr2= "1242," "1246," &end # # 1805 HIS HD2 1806 THR QG2 4.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "667," "-1," r1= "1.30," r2= "1.80," r3= "4.96," r4= "5.46," igr2= "677," "678," "679," &end # # 1806 THR QG2 1807 LYS+ HA 4.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "687," r1= "1.30," r2= "1.80," r3= "4.86," r4= "5.36," igr1= "677," "678," "679," &end # # 1806 THR QG2 1807 LYS+ QE 6.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.86," r4= "7.36," igr1= "677," "678," "679," igr2= "698," "699," &end # # 1806 THR QG2 1809 CYS- HB+ 6.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.20," r4= "6.70," igr1= "677," "678," "679," igr2= "719," "718," &end # # 1803 VAL HB 1806 THR QG2 6.09 (# ) &rst ixpk= "0," nxpk= "0," iat= "625," "-1," r1= "1.30," r2= "1.80," r3= "6.09," r4= "6.59," igr2= "677," "678," "679," &end # # 1806 THR QG2 1823 LEU HB+ 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "677," "678," "679," igr2= "927," "928," &end # # 1806 THR QG2 1807 LYS+ QB 6.67 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.67," r4= "7.17," igr1= "677," "678," "679," igr2= "689," "690," &end # # 1802 VAL QG2 1806 THR QG2 6.24 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.24," r4= "6.74," igr1= "615," "616," "617," igr2= "677," "678," "679," &end # # 1806 THR QG2 1824 ILE QD1 7.9 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.90," r4= "8.40," igr1= "677," "678," "679," igr2= "955," "956," "957," &end # # 1806 THR HB 1843 PHE QE 4.59 (# ) &rst ixpk= "0," nxpk= "0," iat= "675," "-1," r1= "1.30," r2= "1.80," r3= "4.59," r4= "5.09," igr2= "1242," "1246," &end # # 1805 HIS HD2 1806 THR HB 3.78 (# ) &rst ixpk= "0," nxpk= "0," iat= "667," "675," r1= "1.30," r2= "1.80," r3= "3.78," r4= "4.28," &end # # 1806 THR HA 1806 THR HB 2.95 (# ) &rst ixpk= "0," nxpk= "0," iat= "673," "675," r1= "1.30," r2= "1.80," r3= "2.95," r4= "3.45," &end # # 1806 THR HB 1809 CYS- HB+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "675," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "719," "718," &end # # 1806 THR HB 1820 CYSZ HB- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "675," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "879," "878," &end # # 1806 THR HB 1823 LEU HG 5.39 (# ) &rst ixpk= "0," nxpk= "0," iat= "675," "930," r1= "1.30," r2= "1.80," r3= "5.39," r4= "5.89," &end # # 1802 VAL QG2 1806 THR HB 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "675," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "615," "616," "617," &end # # 1806 THR HB 1809 CYS- HB- 5.06 (# ) &rst ixpk= "0," nxpk= "0," iat= "675," "-1," r1= "1.30," r2= "1.80," r3= "5.06," r4= "5.56," igr2= "719," "718," &end # # 1805 HIS HD2 1806 THR HA 3.39 (# ) &rst ixpk= "0," nxpk= "0," iat= "667," "673," r1= "1.30," r2= "1.80," r3= "3.39," r4= "3.89," &end # # 1806 THR HA 1809 CYS- HB- 3.57 (# ) &rst ixpk= "0," nxpk= "0," iat= "673," "-1," r1= "1.30," r2= "1.80," r3= "3.57," r4= "4.07," igr2= "719," "718," &end # # 1806 THR HA 1806 THR QG2 3.9 (# ) &rst ixpk= "0," nxpk= "0," iat= "673," "-1," r1= "1.30," r2= "1.80," r3= "3.90," r4= "4.40," igr2= "677," "678," "679," &end # # 1806 THR HA 1819 VAL QG1 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "673," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "864," "865," "866," &end # # 1806 THR HA 1819 VAL QG2 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "673," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "868," "869," "870," &end # # 1813 THR QG2 1843 PHE QD 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "798," "799," "800," igr2= "1240," "1248," &end # # 1813 THR QG2 1843 PHE QE 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "798," "799," "800," igr2= "1242," "1246," &end # # 1812 LYS+ HA 1813 THR QG2 5.48 (# ) &rst ixpk= "0," nxpk= "0," iat= "772," "-1," r1= "1.30," r2= "1.80," r3= "5.48," r4= "5.98," igr2= "798," "799," "800," &end # # 1813 THR QG2 1821 LYS+ HA 4.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "886," r1= "1.30," r2= "1.80," r3= "4.83," r4= "5.33," igr1= "798," "799," "800," &end # # 1813 THR QG2 1814 ASN QB 5.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.74," r4= "6.24," igr1= "798," "799," "800," igr2= "810," "811," &end # # 1813 THR QG2 1820 CYSZ HB+ 5.36 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.36," r4= "5.86," igr1= "798," "799," "800," igr2= "879," "878," &end # # 1813 THR QG2 1820 CYSZ HB- 5.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.92," r4= "6.42," igr1= "798," "799," "800," igr2= "879," "878," &end # # 1812 LYS+ HB- 1813 THR QG2 4.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.64," r4= "5.14," igr1= "774," "775," igr2= "798," "799," "800," &end # # 1812 LYS+ HB+ 1813 THR QG2 4.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.88," r4= "5.38," igr1= "774," "775," igr2= "798," "799," "800," &end # # 1813 THR QG2 1824 ILE HB 5.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "946," r1= "1.30," r2= "1.80," r3= "5.18," r4= "5.68," igr1= "798," "799," "800," &end # # 1813 THR HB 1820 CYSZ HB+ 4.9 (# ) &rst ixpk= "0," nxpk= "0," iat= "796," "-1," r1= "1.30," r2= "1.80," r3= "4.90," r4= "5.40," igr2= "879," "878," &end # # 1812 LYS+ HB+ 1813 THR HB 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "796," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "774," "775," &end # # 1813 THR HB 1821 LYS+ QD 5.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "796," "-1," r1= "1.30," r2= "1.80," r3= "5.61," r4= "6.11," igr2= "894," "895," &end # # 1813 THR HB 1824 ILE QD1 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "796," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "955," "956," "957," &end # # 1782 HIS HA 1782 HIS HD2 5.1 (# ) &rst ixpk= "0," nxpk= "0," iat= "303," "314," r1= "1.30," r2= "1.80," r3= "5.10," r4= "5.60," &end # # 1779 SER HA 1782 HIS HB- 4.28 (# ) &rst ixpk= "0," nxpk= "0," iat= "257," "-1," r1= "1.30," r2= "1.80," r3= "4.28," r4= "4.78," igr2= "305," "306," &end # # 1782 HIS HD2 1783 ALA HA 3.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "314," "320," r1= "1.30," r2= "1.80," r3= "3.33," r4= "3.83," &end # # 1782 HIS HB+ 1782 HIS HD2 3.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "314," r1= "1.30," r2= "1.80," r3= "3.33," r4= "3.83," igr1= "305," "306," &end # # 1782 HIS HD2 1796 CYSZ HB- 3.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "314," "-1," r1= "1.30," r2= "1.80," r3= "3.13," r4= "3.63," igr2= "498," "497," &end # # 1782 HIS HD2 1786 CYS- HB+ 4.77 (# ) &rst ixpk= "0," nxpk= "0," iat= "314," "-1," r1= "1.30," r2= "1.80," r3= "4.77," r4= "5.27," igr2= "361," "360," &end # # 1782 HIS HD2 1786 CYS- HB- 4.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "314," "-1," r1= "1.30," r2= "1.80," r3= "4.19," r4= "4.69," igr2= "361," "360," &end # # 1782 HIS HD2 1783 ALA QB 4.68 (# ) &rst ixpk= "0," nxpk= "0," iat= "314," "-1," r1= "1.30," r2= "1.80," r3= "4.68," r4= "5.18," igr2= "322," "323," "324," &end # # 1782 HIS HD2 1793 LEU QQD 6.09 (# ) &rst ixpk= "0," nxpk= "0," iat= "314," "-1," r1= "1.30," r2= "1.80," r3= "6.09," r4= "6.59," igr2= "458," "459," "460," "462," "463," "464," &end # # 1801 ARG+ QB 1805 HIS HB+ 5.67 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.67," r4= "6.17," igr1= "585," "586," igr2= "658," "659," &end # # 1801 ARG+ QB 1805 HIS HB- 5.67 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.67," r4= "6.17," igr1= "585," "586," igr2= "658," "659," &end # # 1805 HIS HA 1805 HIS HD2 4.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "656," "667," r1= "1.30," r2= "1.80," r3= "4.86," r4= "5.36," &end # # 1805 HIS HA 1807 LYS+ QB 6.11 (# ) &rst ixpk= "0," nxpk= "0," iat= "656," "-1," r1= "1.30," r2= "1.80," r3= "6.11," r4= "6.61," igr2= "689," "690," &end # # 1805 HIS HD2 1820 CYSZ HB- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "667," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "879," "878," &end # # 1805 HIS HD2 1809 CYS- HB- 4.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "667," "-1," r1= "1.30," r2= "1.80," r3= "4.41," r4= "4.91," igr2= "719," "718," &end # # 1805 HIS HD2 1819 VAL QG2 5.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "667," "-1," r1= "1.30," r2= "1.80," r3= "5.07," r4= "5.57," igr2= "868," "869," "870," &end # # 1777 ILE HB 1830 HIS HB+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "223," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "1037," "1038," &end # # 1777 ILE QG2 1830 HIS HB+ 4.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.34," r4= "4.84," igr1= "225," "226," "227," igr2= "1037," "1038," &end # # 1777 ILE HB 1830 HIS HB- 4.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "223," "-1," r1= "1.30," r2= "1.80," r3= "4.86," r4= "5.36," igr2= "1037," "1038," &end # # 1827 CYS HA 1830 HIS HB- 4.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "992," "-1," r1= "1.30," r2= "1.80," r3= "4.72," r4= "5.22," igr2= "1037," "1038," &end # # 1830 HIS HB+ 1841 VAL QG2 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1037," "1038," igr2= "1212," "1213," "1214," &end # # 1773 ILE QG2 1830 HIS HB- 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "154," "155," "156," igr2= "1037," "1038," &end # # 1830 HIS HB- 1841 VAL QG2 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1037," "1038," igr2= "1212," "1213," "1214," &end # # 1829 TYR QD 1830 HIS HA 4.58 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1035," r1= "1.30," r2= "1.80," r3= "4.58," r4= "5.08," igr1= "1020," "1029," &end # # 1830 HIS HA 1833 HIS HB+ 5.25 (# ) &rst ixpk= "0," nxpk= "0," iat= "1035," "-1," r1= "1.30," r2= "1.80," r3= "5.25," r4= "5.75," igr2= "1086," "1087," &end # # 1777 ILE QD1 1830 HIS HA 4.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1035," r1= "1.30," r2= "1.80," r3= "4.72," r4= "5.22," igr1= "232," "233," "234," &end # # 1830 HIS HA 1830 HIS HD2 5.4 (# ) &rst ixpk= "0," nxpk= "0," iat= "1035," "1046," r1= "1.30," r2= "1.80," r3= "5.40," r4= "5.90," &end # # 1830 HIS HD2 1844 CYSZ HA 3.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "1046," "1254," r1= "1.30," r2= "1.80," r3= "3.83," r4= "4.33," &end # # 1830 HIS HB+ 1830 HIS HD2 3.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1046," r1= "1.30," r2= "1.80," r3= "3.34," r4= "3.84," igr1= "1037," "1038," &end # # 1830 HIS HD2 1844 CYSZ HB- 3.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "1046," "-1," r1= "1.30," r2= "1.80," r3= "3.13," r4= "3.63," igr2= "1257," "1256," &end # # 1830 HIS HD2 1841 VAL HB 4.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "1046," "1206," r1= "1.30," r2= "1.80," r3= "4.19," r4= "4.69," &end # # 1830 HIS HD2 1834 CYS- HB- 4.71 (# ) &rst ixpk= "0," nxpk= "0," iat= "1046," "-1," r1= "1.30," r2= "1.80," r3= "4.71," r4= "5.21," igr2= "1105," "1104," &end # # 1830 HIS HD2 1831 ALA QB 4.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "1046," "-1," r1= "1.30," r2= "1.80," r3= "4.12," r4= "4.62," igr2= "1054," "1055," "1056," &end # # 1830 HIS HD2 1841 VAL QG1 4.25 (# ) &rst ixpk= "0," nxpk= "0," iat= "1046," "-1," r1= "1.30," r2= "1.80," r3= "4.25," r4= "4.75," igr2= "1208," "1209," "1210," &end # # 1830 HIS HE1 1844 CYSZ HB+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1043," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "1257," "1256," &end # # 1830 HIS HE1 1834 CYS- HB- 3.35 (# ) &rst ixpk= "0," nxpk= "0," iat= "1043," "-1," r1= "1.30," r2= "1.80," r3= "3.35," r4= "3.85," igr2= "1105," "1104," &end # # 1781 VAL QG1 1830 HIS HE1 4.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1043," r1= "1.30," r2= "1.80," r3= "4.73," r4= "5.23," igr1= "291," "292," "293," &end # # 1830 HIS HE1 1841 VAL QG2 4.35 (# ) &rst ixpk= "0," nxpk= "0," iat= "1043," "-1," r1= "1.30," r2= "1.80," r3= "4.35," r4= "4.85," igr2= "1212," "1213," "1214," &end # # 1830 HIS HB- 1830 HIS HE1 5.26 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1043," r1= "1.30," r2= "1.80," r3= "5.26," r4= "5.76," igr1= "1037," "1038," &end # # 1830 HIS HA 1833 HIS HB- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1035," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "1086," "1087," &end # # 1833 HIS HA 1833 HIS HD2 4.9 (# ) &rst ixpk= "0," nxpk= "0," iat= "1084," "1096," r1= "1.30," r2= "1.80," r3= "4.90," r4= "5.40," &end # # 1832 LYS+ HB+ 1833 HIS HD2 5.31 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1096," r1= "1.30," r2= "1.80," r3= "5.31," r4= "5.81," igr1= "1064," "1065," &end # # 1849 HIS HA 1849 HIS QB 3.37 (# ) &rst ixpk= "0," nxpk= "0," iat= "1338," "-1," r1= "1.30," r2= "1.80," r3= "3.37," r4= "3.87," igr2= "1340," "1341," &end # # 1849 HIS QB 1850 LYS+ HA 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1356," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1340," "1341," &end # # 1849 HIS QB 1850 LYS+ HB+ 5.76 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.76," r4= "6.26," igr1= "1340," "1341," igr2= "1358," "1359," &end # # 1849 HIS QB 1850 LYS+ QD 6.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.93," r4= "7.43," igr1= "1340," "1341," igr2= "1364," "1365," &end # # 1849 HIS HA 1849 HIS HD2 4.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "1338," "1350," r1= "1.30," r2= "1.80," r3= "4.38," r4= "4.88," &end # # 1849 HIS QB 1849 HIS HD2 4.4 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1350," r1= "1.30," r2= "1.80," r3= "4.40," r4= "4.90," igr1= "1340," "1341," &end # # 1845 LEU HG 1849 HIS HE1 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1269," "1346," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1782 HIS HE1 1791 CYS- QB 6.08 (# ) &rst ixpk= "0," nxpk= "0," iat= "311," "-1," r1= "1.30," r2= "1.80," r3= "6.08," r4= "6.58," igr2= "433," "432," &end # # 1782 HIS HE1 1786 CYS- HB+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "311," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "361," "360," &end # # 1782 HIS HE1 1786 CYS- HB- 4.26 (# ) &rst ixpk= "0," nxpk= "0," iat= "311," "-1," r1= "1.30," r2= "1.80," r3= "4.26," r4= "4.76," igr2= "361," "360," &end # # 1782 HIS HE1 1793 LEU HG 4.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "311," "456," r1= "1.30," r2= "1.80," r3= "4.46," r4= "4.96," &end # # 1805 HIS HE1 1819 VAL QG1 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "664," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "864," "865," "866," &end # # 1843 PHE HB+ 1846 ASN QB 4.77 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.77," r4= "5.27," igr1= "1236," "1237," igr2= "1285," "1286," &end # # 1843 PHE HB- 1847 ILE HG13 4.95 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1306," r1= "1.30," r2= "1.80," r3= "4.95," r4= "5.45," igr1= "1236," "1237," &end # # 1843 PHE HB- 1847 ILE QD1 4.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.85," r4= "5.35," igr1= "1236," "1237," igr2= "1308," "1309," "1310," &end # # 1829 TYR HA 1829 TYR QE 5.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "1014," "-1," r1= "1.30," r2= "1.80," r3= "5.85," r4= "6.35," igr2= "1022," "1027," &end # # 1829 TYR HA 1832 LYS+ QD 4.03 (# ) &rst ixpk= "0," nxpk= "0," iat= "1014," "-1," r1= "1.30," r2= "1.80," r3= "4.03," r4= "4.53," igr2= "1070," "1071," &end # # 1829 TYR HA 1832 LYS+ HG+ 4.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "1014," "-1," r1= "1.30," r2= "1.80," r3= "4.61," r4= "5.11," igr2= "1067," "1068," &end # # 1829 TYR HA 1832 LYS+ HG- 4.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "1014," "-1," r1= "1.30," r2= "1.80," r3= "4.72," r4= "5.22," igr2= "1067," "1068," &end # # 1777 ILE QD1 1829 TYR HA 5.91 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1014," r1= "1.30," r2= "1.80," r3= "5.91," r4= "6.41," igr1= "232," "233," "234," &end # # 1829 TYR HA 1832 LYS+ QE 4.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "1014," "-1," r1= "1.30," r2= "1.80," r3= "4.92," r4= "5.42," igr2= "1073," "1074," &end # # 1774 GLN HG- 1829 TYR QE 5.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.23," r4= "5.73," igr1= "174," "175," igr2= "1022," "1027," &end # # 1829 TYR QE 3044 MET QE 7.25 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.25," r4= "7.75," igr1= "1022," "1027," igr2= "1622," "1623," "1624," &end # # 1770 ARG+ QB 1829 TYR QE 6.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.85," r4= "7.35," igr1= "98," "99," igr2= "1022," "1027," &end # # 1773 ILE QG1 1829 TYR QE 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "158," "159," igr2= "1022," "1027," &end # # 1777 ILE QD1 1829 TYR QE 5.68 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.68," r4= "6.18," igr1= "232," "233," "234," igr2= "1022," "1027," &end # # 1829 TYR QE 3045 LEU QQD 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "1022," "1027," igr2= "1637," "1638," "1639," "1641," "1642," "1643," &end # # 1829 TYR HA 1829 TYR QD 4.1 (# ) &rst ixpk= "0," nxpk= "0," iat= "1014," "-1," r1= "1.30," r2= "1.80," r3= "4.10," r4= "4.60," igr2= "1020," "1029," &end # # 1829 TYR QD 3044 MET HG+ 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1020," "1029," igr2= "1618," "1619," &end # # 1829 TYR QD 3044 MET HG- 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1020," "1029," igr2= "1618," "1619," &end # # 1829 TYR QD 3044 MET QE 6.59 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.59," r4= "7.09," igr1= "1020," "1029," igr2= "1622," "1623," "1624," &end # # 1829 TYR QD 1832 LYS+ QD 5.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.42," r4= "5.92," igr1= "1020," "1029," igr2= "1070," "1071," &end # # 1773 ILE QD1 1829 TYR QD 5.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.84," r4= "6.34," igr1= "161," "162," "163," igr2= "1020," "1029," &end # # 1826 LEU HA 1829 TYR HB- 3.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "973," "-1," r1= "1.30," r2= "1.80," r3= "3.50," r4= "4.00," igr2= "1016," "1017," &end # # 1829 TYR HB+ 1832 LYS+ QD 5.24 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.24," r4= "5.74," igr1= "1016," "1017," igr2= "1070," "1071," &end # # 1773 ILE QG2 1829 TYR HB+ 5.25 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.25," r4= "5.75," igr1= "154," "155," "156," igr2= "1016," "1017," &end # # 1773 ILE QD1 1829 TYR HB- 5.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.88," r4= "6.38," igr1= "161," "162," "163," igr2= "1016," "1017," &end # # 1777 ILE QD1 1829 TYR HB- 5.62 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.62," r4= "6.12," igr1= "232," "233," "234," igr2= "1016," "1017," &end # # 1829 TYR HB- 1832 LYS+ QD 5.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.17," r4= "5.67," igr1= "1016," "1017," igr2= "1070," "1071," &end # # 1829 TYR HB- 1832 LYS+ QE 5.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.51," r4= "6.01," igr1= "1016," "1017," igr2= "1073," "1074," &end # # 1843 PHE HA 1846 ASN QB 4 (# ) &rst ixpk= "0," nxpk= "0," iat= "1234," "-1," r1= "1.30," r2= "1.80," r3= "4.00," r4= "4.50," igr2= "1285," "1286," &end # # 1843 PHE HA 1847 ILE QD1 5.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "1234," "-1," r1= "1.30," r2= "1.80," r3= "5.33," r4= "5.83," igr2= "1308," "1309," "1310," &end # # 1843 PHE HA 1843 PHE QD 3.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "1234," "-1," r1= "1.30," r2= "1.80," r3= "3.93," r4= "4.43," igr2= "1240," "1248," &end # # 3051 GLU- HA 3054 PHE QD 5.1 (# ) &rst ixpk= "0," nxpk= "0," iat= "1717," "-1," r1= "1.30," r2= "1.80," r3= "5.10," r4= "5.60," igr2= "1779," "1787," &end # # 1827 CYS HB+ 1843 PHE QD 4.65 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.65," r4= "5.15," igr1= "994," "995," igr2= "1240," "1248," &end # # 1822 GLN QB 3054 PHE QD 6.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.93," r4= "7.43," igr1= "910," "911," igr2= "1779," "1787," &end # # 1823 LEU HG 1843 PHE QD 4.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "930," "-1," r1= "1.30," r2= "1.80," r3= "4.50," r4= "5.00," igr2= "1240," "1248," &end # # 1806 THR QG2 1843 PHE QD 5.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.41," r4= "5.91," igr1= "677," "678," "679," igr2= "1240," "1248," &end # # 1843 PHE QD 1847 ILE QD1 4.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.96," r4= "5.46," igr1= "1240," "1248," igr2= "1308," "1309," "1310," &end # # 1820 CYSZ HA 1843 PHE QE 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "876," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "1242," "1246," &end # # 1824 ILE HA 1843 PHE QE 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "944," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "1242," "1246," &end # # 1820 CYSZ HB+ 1843 PHE QE 5.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.96," r4= "6.46," igr1= "879," "878," igr2= "1242," "1246," &end # # 1823 LEU HG 1843 PHE QE 5.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "930," "-1," r1= "1.30," r2= "1.80," r3= "5.42," r4= "5.92," igr2= "1242," "1246," &end # # 1824 ILE HA 1843 PHE QD 4.37 (# ) &rst ixpk= "0," nxpk= "0," iat= "944," "-1," r1= "1.30," r2= "1.80," r3= "4.37," r4= "4.87," igr2= "1240," "1248," &end # # 1823 LEU HA 1824 ILE HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "925," "944," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1824 ILE HA 1827 CYS HA 5.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "944," "992," r1= "1.30," r2= "1.80," r3= "5.34," r4= "5.84," &end # # 1823 LEU HB+ 1824 ILE HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "944," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "927," "928," &end # # 1824 ILE HA 1825 ALA QB 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "944," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "965," "966," "967," &end # # 1824 ILE HA 1824 ILE HG13 3.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "944," "953," r1= "1.30," r2= "1.80," r3= "3.79," r4= "4.29," &end # # 1824 ILE HB 1843 PHE QD 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "946," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "1240," "1248," &end # # 1824 ILE HB 1843 PHE QE 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "946," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "1242," "1246," &end # # 1813 THR HB 1824 ILE HB 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "796," "946," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1821 LYS+ HA 1824 ILE HG13 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "886," "953," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1824 ILE HG12 1828 CYS HB- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "952," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "1005," "1006," &end # # 1824 ILE HG12 1828 CYS HB+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "952," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "1005," "1006," &end # # 1824 ILE HA 1824 ILE HG12 3.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "944," "952," r1= "1.30," r2= "1.80," r3= "3.79," r4= "4.29," &end # # 1821 LYS+ HA 1824 ILE HG12 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "886," "952," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1824 ILE QD1 1843 PHE QD 5.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.30," r4= "5.80," igr1= "955," "956," "957," igr2= "1240," "1248," &end # # 1824 ILE QD1 1843 PHE QE 5.49 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.49," r4= "5.99," igr1= "955," "956," "957," igr2= "1242," "1246," &end # # 1812 LYS+ HA 1824 ILE QD1 6.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "772," "-1," r1= "1.30," r2= "1.80," r3= "6.53," r4= "7.03," igr2= "955," "956," "957," &end # # 1824 ILE QD1 1843 PHE HA 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1234," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "955," "956," "957," &end # # 1820 CYSZ HA 1824 ILE QD1 4.76 (# ) &rst ixpk= "0," nxpk= "0," iat= "876," "-1," r1= "1.30," r2= "1.80," r3= "4.76," r4= "5.26," igr2= "955," "956," "957," &end # # 1821 LYS+ HA 1824 ILE QD1 4.56 (# ) &rst ixpk= "0," nxpk= "0," iat= "886," "-1," r1= "1.30," r2= "1.80," r3= "4.56," r4= "5.06," igr2= "955," "956," "957," &end # # 1824 ILE HA 1824 ILE QD1 3.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "944," "-1," r1= "1.30," r2= "1.80," r3= "3.98," r4= "4.48," igr2= "955," "956," "957," &end # # 1820 CYSZ HB+ 1824 ILE QD1 4.78 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.78," r4= "5.28," igr1= "879," "878," igr2= "955," "956," "957," &end # # 1820 CYSZ HB- 1824 ILE QD1 5.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.70," r4= "6.20," igr1= "879," "878," igr2= "955," "956," "957," &end # # 1812 LYS+ HB- 1824 ILE QD1 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "774," "775," igr2= "955," "956," "957," &end # # 1812 LYS+ HB+ 1824 ILE QD1 5.08 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.08," r4= "5.58," igr1= "774," "775," igr2= "955," "956," "957," &end # # 1823 LEU HB+ 1824 ILE QD1 5.39 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.39," r4= "5.89," igr1= "927," "928," igr2= "955," "956," "957," &end # # 1824 ILE HB 1824 ILE QD1 3.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "946," "-1," r1= "1.30," r2= "1.80," r3= "3.98," r4= "4.48," igr2= "955," "956," "957," &end # # 1824 ILE QD1 1843 PHE HB+ 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "955," "956," "957," igr2= "1236," "1237," &end # # 1813 THR QG2 1824 ILE QD1 6.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.16," r4= "6.66," igr1= "798," "799," "800," igr2= "955," "956," "957," &end # # 1824 ILE QG2 1843 PHE QD 7.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.14," r4= "7.64," igr1= "948," "949," "950," igr2= "1240," "1248," &end # # 1824 ILE QG2 1843 PHE QE 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "948," "949," "950," igr2= "1242," "1246," &end # # 1813 THR HB 1824 ILE QG2 5.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "796," "-1," r1= "1.30," r2= "1.80," r3= "5.60," r4= "6.10," igr2= "948," "949," "950," &end # # 1824 ILE HA 1824 ILE QG2 4.02 (# ) &rst ixpk= "0," nxpk= "0," iat= "944," "-1," r1= "1.30," r2= "1.80," r3= "4.02," r4= "4.52," igr2= "948," "949," "950," &end # # 1824 ILE QG2 1828 CYS HB+ 4.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.97," r4= "5.47," igr1= "948," "949," "950," igr2= "1005," "1006," &end # # 1824 ILE QG2 1828 CYS HB- 4.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.97," r4= "5.47," igr1= "948," "949," "950," igr2= "1005," "1006," &end # # 1824 ILE QG2 3044 MET QE 7.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.01," r4= "7.51," igr1= "948," "949," "950," igr2= "1622," "1623," "1624," &end # # 1824 ILE QG2 1825 ALA QB 5.47 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.47," r4= "5.97," igr1= "948," "949," "950," igr2= "965," "966," "967," &end # # 1824 ILE QG2 1824 ILE QD1 5.25 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.25," r4= "5.75," igr1= "948," "949," "950," igr2= "955," "956," "957," &end # # 1777 ILE QD1 1829 TYR QD 4.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.41," r4= "4.91," igr1= "232," "233," "234," igr2= "1020," "1029," &end # # 1777 ILE QD1 1826 LEU HA 4.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "973," r1= "1.30," r2= "1.80," r3= "4.43," r4= "4.93," igr1= "232," "233," "234," &end # # 1774 GLN HA 1777 ILE QD1 4.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "169," "-1," r1= "1.30," r2= "1.80," r3= "4.19," r4= "4.69," igr2= "232," "233," "234," &end # # 1777 ILE HA 1777 ILE QD1 4.76 (# ) &rst ixpk= "0," nxpk= "0," iat= "221," "-1," r1= "1.30," r2= "1.80," r3= "4.76," r4= "5.26," igr2= "232," "233," "234," &end # # 1777 ILE QD1 1830 HIS HB+ 5.06 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.06," r4= "5.56," igr1= "232," "233," "234," igr2= "1037," "1038," &end # # 1777 ILE QD1 1829 TYR HB+ 3.77 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.77," r4= "4.27," igr1= "232," "233," "234," igr2= "1016," "1017," &end # # 1774 GLN HG- 1777 ILE QD1 5.39 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.39," r4= "5.89," igr1= "174," "175," igr2= "232," "233," "234," &end # # 1777 ILE HB 1777 ILE QD1 3.49 (# ) &rst ixpk= "0," nxpk= "0," iat= "223," "-1," r1= "1.30," r2= "1.80," r3= "3.49," r4= "3.99," igr2= "232," "233," "234," &end # # 1773 ILE QG1 1777 ILE QD1 6.81 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.81," r4= "7.31," igr1= "158," "159," igr2= "232," "233," "234," &end # # 1773 ILE QG2 1777 ILE QD1 4.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.20," r4= "4.70," igr1= "154," "155," "156," igr2= "232," "233," "234," &end # # 1828 CYS HA 1847 ILE QD1 3.69 (# ) &rst ixpk= "0," nxpk= "0," iat= "1003," "-1," r1= "1.30," r2= "1.80," r3= "3.69," r4= "4.19," igr2= "1308," "1309," "1310," &end # # 1847 ILE HA 1847 ILE QD1 4.82 (# ) &rst ixpk= "0," nxpk= "0," iat= "1297," "-1," r1= "1.30," r2= "1.80," r3= "4.82," r4= "5.32," igr2= "1308," "1309," "1310," &end # # 1843 PHE HB+ 1847 ILE QD1 3.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.83," r4= "4.33," igr1= "1236," "1237," igr2= "1308," "1309," "1310," &end # # 1847 ILE HB 1847 ILE QD1 3.24 (# ) &rst ixpk= "0," nxpk= "0," iat= "1299," "-1," r1= "1.30," r2= "1.80," r3= "3.24," r4= "3.74," igr2= "1308," "1309," "1310," &end # # 1831 ALA QB 1847 ILE QD1 4.62 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.62," r4= "5.12," igr1= "1054," "1055," "1056," igr2= "1308," "1309," "1310," &end # # 3050 ILE QD1 3054 PHE QE 6.54 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.54," r4= "7.04," igr1= "1709," "1710," "1711," igr2= "1781," "1785," &end # # 1773 ILE QD1 3053 TRP HZ3 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1764," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "161," "162," "163," &end # # 3050 ILE QD1 3053 TRP HZ3 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1764," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1709," "1710," "1711," &end # # 1773 ILE QD1 3053 TRP HH2 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1762," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "161," "162," "163," &end # # 1773 ILE QD1 1829 TYR QE 5.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.96," r4= "6.46," igr1= "161," "162," "163," igr2= "1022," "1027," &end # # 3047 PRO HA 3050 ILE QD1 4.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "1668," "-1," r1= "1.30," r2= "1.80," r3= "4.97," r4= "5.47," igr2= "1709," "1710," "1711," &end # # 1772 SER HA 3050 ILE QD1 5.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "139," "-1," r1= "1.30," r2= "1.80," r3= "5.14," r4= "5.64," igr2= "1709," "1710," "1711," &end # # 1773 ILE QD1 1826 LEU HA 5.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "973," r1= "1.30," r2= "1.80," r3= "5.92," r4= "6.42," igr1= "161," "162," "163," &end # # 1772 SER HB- 3050 ILE QD1 4.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.88," r4= "5.38," igr1= "141," "142," igr2= "1709," "1710," "1711," &end # # 1773 ILE QD1 3042 ASP- QB 5.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.84," r4= "6.34," igr1= "161," "162," "163," igr2= "1584," "1585," &end # # 1773 ILE HB 1773 ILE QD1 3.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "152," "-1," r1= "1.30," r2= "1.80," r3= "3.83," r4= "4.33," igr2= "161," "162," "163," &end # # 1828 CYS HA 1847 ILE HB 4.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "1003," "1299," r1= "1.30," r2= "1.80," r3= "4.41," r4= "4.91," &end # # 1844 CYSZ HA 1847 ILE HB 3.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "1254," "1299," r1= "1.30," r2= "1.80," r3= "3.33," r4= "3.83," &end # # 1844 CYSZ HB- 1847 ILE HB 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1299," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "1257," "1256," &end # # 1846 ASN QB 1847 ILE HB 5.71 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1299," r1= "1.30," r2= "1.80," r3= "5.71," r4= "6.21," igr1= "1285," "1286," &end # # 1831 ALA QB 1847 ILE HB 3.78 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1299," r1= "1.30," r2= "1.80," r3= "3.78," r4= "4.28," igr1= "1054," "1055," "1056," &end # # 1770 ARG+ HA 1773 ILE HB 3.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "96," "152," r1= "1.30," r2= "1.80," r3= "3.51," r4= "4.01," &end # # 1770 ARG+ QB 1773 ILE HB 5.9 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "152," r1= "1.30," r2= "1.80," r3= "5.90," r4= "6.40," igr1= "98," "99," &end # # 1773 ILE HB 1777 ILE QD1 6.26 (# ) &rst ixpk= "0," nxpk= "0," iat= "152," "-1," r1= "1.30," r2= "1.80," r3= "6.26," r4= "6.76," igr2= "232," "233," "234," &end # # 1774 GLN HA 1777 ILE HB 2.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "169," "223," r1= "1.30," r2= "1.80," r3= "2.83," r4= "3.33," &end # # 3050 ILE QD1 3051 GLU- HG- 5.57 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.57," r4= "6.07," igr1= "1709," "1710," "1711," igr2= "1722," "1723," &end # # 1846 ASN QB 1847 ILE HA 4.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1297," r1= "1.30," r2= "1.80," r3= "4.84," r4= "5.34," igr1= "1285," "1286," &end # # 1847 ILE HA 1850 LYS+ HG- 4.05 (# ) &rst ixpk= "0," nxpk= "0," iat= "1297," "-1," r1= "1.30," r2= "1.80," r3= "4.05," r4= "4.55," igr2= "1361," "1362," &end # # 1777 ILE HA 1777 ILE QG2 3.9 (# ) &rst ixpk= "0," nxpk= "0," iat= "221," "-1," r1= "1.30," r2= "1.80," r3= "3.90," r4= "4.40," igr2= "225," "226," "227," &end # # 1847 ILE HA 1847 ILE QG2 3.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "1297," "-1," r1= "1.30," r2= "1.80," r3= "3.33," r4= "3.83," igr2= "1301," "1302," "1303," &end # # 1777 ILE HA 1780 LEU HB- 3.71 (# ) &rst ixpk= "0," nxpk= "0," iat= "221," "-1," r1= "1.30," r2= "1.80," r3= "3.71," r4= "4.21," igr2= "270," "271," &end # # 1777 ILE HA 1777 ILE HG13 3.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "221," "230," r1= "1.30," r2= "1.80," r3= "3.52," r4= "4.02," &end # # 1777 ILE HA 1780 LEU HB+ 3.56 (# ) &rst ixpk= "0," nxpk= "0," iat= "221," "-1," r1= "1.30," r2= "1.80," r3= "3.56," r4= "4.06," igr2= "270," "271," &end # # 1777 ILE HA 1777 ILE HG12 3.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "221," "229," r1= "1.30," r2= "1.80," r3= "3.52," r4= "4.02," &end # # 1772 SER HA 1773 ILE HA 5.28 (# ) &rst ixpk= "0," nxpk= "0," iat= "139," "150," r1= "1.30," r2= "1.80," r3= "5.28," r4= "5.78," &end # # 1773 ILE HA 1826 LEU HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "150," "973," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1773 ILE HA 1774 GLN HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "150," "169," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1773 ILE HA 1776 CYS HB+ 4.04 (# ) &rst ixpk= "0," nxpk= "0," iat= "150," "-1," r1= "1.30," r2= "1.80," r3= "4.04," r4= "4.54," igr2= "212," "213," &end # # 1773 ILE HA 1775 ARG+ QB 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "150," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "188," "189," &end # # 1773 ILE HA 1777 ILE QD1 5.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "150," "-1," r1= "1.30," r2= "1.80," r3= "5.51," r4= "6.01," igr2= "232," "233," "234," &end # # 1773 ILE HA 1826 LEU QQD 5.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "150," "-1," r1= "1.30," r2= "1.80," r3= "5.86," r4= "6.36," igr2= "980," "981," "982," "984," "985," "986," &end # # 1773 ILE HA 1826 LEU QQD 5.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "150," "-1," r1= "1.30," r2= "1.80," r3= "5.86," r4= "6.36," igr2= "980," "981," "982," "984," "985," "986," &end # # 1773 ILE HA 3050 ILE QD1 3.71 (# ) &rst ixpk= "0," nxpk= "0," iat= "150," "-1," r1= "1.30," r2= "1.80," r3= "3.71," r4= "4.21," igr2= "1709," "1710," "1711," &end # # 1773 ILE QG2 1777 ILE HG12 4.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "229," r1= "1.30," r2= "1.80," r3= "4.74," r4= "5.24," igr1= "154," "155," "156," &end # # 1773 ILE QG2 1777 ILE HG13 4.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "230," r1= "1.30," r2= "1.80," r3= "4.74," r4= "5.24," igr1= "154," "155," "156," &end # # 1775 ARG+ QB 1775 ARG+ QD 3.35 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.35," r4= "3.85," igr1= "188," "189," igr2= "194," "195," &end # # 1847 ILE HA 1847 ILE HG13 3.35 (# ) &rst ixpk= "0," nxpk= "0," iat= "1297," "1306," r1= "1.30," r2= "1.80," r3= "3.35," r4= "3.85," &end # # 1843 PHE HB+ 1847 ILE HG13 4.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1306," r1= "1.30," r2= "1.80," r3= "4.12," r4= "4.62," igr1= "1236," "1237," &end # # 1846 ASN QB 1847 ILE HG12 5.26 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1305," r1= "1.30," r2= "1.80," r3= "5.26," r4= "5.76," igr1= "1285," "1286," &end # # 1843 PHE HB+ 1847 ILE HG12 4.35 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1305," r1= "1.30," r2= "1.80," r3= "4.35," r4= "4.85," igr1= "1236," "1237," &end # # 1847 ILE HA 1847 ILE HG12 3.24 (# ) &rst ixpk= "0," nxpk= "0," iat= "1297," "1305," r1= "1.30," r2= "1.80," r3= "3.24," r4= "3.74," &end # # 1844 CYSZ HA 1847 ILE HG12 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1254," "1305," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1828 CYS HA 1847 ILE HG12 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1003," "1305," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1830 HIS HD2 1847 ILE QG2 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "1046," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "1301," "1302," "1303," &end # # 1831 ALA HA 1847 ILE QG2 5.63 (# ) &rst ixpk= "0," nxpk= "0," iat= "1052," "-1," r1= "1.30," r2= "1.80," r3= "5.63," r4= "6.13," igr2= "1301," "1302," "1303," &end # # 1844 CYSZ HA 1847 ILE QG2 5.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "1254," "-1," r1= "1.30," r2= "1.80," r3= "5.86," r4= "6.36," igr2= "1301," "1302," "1303," &end # # 1847 ILE QG2 1848 LYS+ HA 6.47 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1316," r1= "1.30," r2= "1.80," r3= "6.47," r4= "6.97," igr1= "1301," "1302," "1303," &end # # 1843 PHE HB+ 1847 ILE QG2 6.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.46," r4= "6.96," igr1= "1236," "1237," igr2= "1301," "1302," "1303," &end # # 1847 ILE QG2 1847 ILE HG13 4.35 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1306," r1= "1.30," r2= "1.80," r3= "4.35," r4= "4.85," igr1= "1301," "1302," "1303," &end # # 1847 ILE QG2 1851 LEU HB- 4.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.72," r4= "5.22," igr1= "1301," "1302," "1303," igr2= "1380," "1381," &end # # 1773 ILE QG2 1829 TYR QD 5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.00," r4= "5.50," igr1= "154," "155," "156," igr2= "1020," "1029," &end # # 1773 ILE QG2 1829 TYR QE 5.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.20," r4= "5.70," igr1= "154," "155," "156," igr2= "1022," "1027," &end # # 1773 ILE QG2 1830 HIS HA 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1035," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "154," "155," "156," &end # # 1773 ILE QG2 1826 LEU HA 4.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "973," r1= "1.30," r2= "1.80," r3= "4.86," r4= "5.36," igr1= "154," "155," "156," &end # # 1773 ILE QG2 1774 GLN HA 4.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "169," r1= "1.30," r2= "1.80," r3= "4.13," r4= "4.63," igr1= "154," "155," "156," &end # # 1773 ILE HA 1773 ILE QG2 4.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "150," "-1," r1= "1.30," r2= "1.80," r3= "4.17," r4= "4.67," igr2= "154," "155," "156," &end # # 1773 ILE QG2 1829 TYR HB- 5.1 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.10," r4= "5.60," igr1= "154," "155," "156," igr2= "1016," "1017," &end # # 1773 ILE QG2 1774 GLN HG+ 5.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.92," r4= "6.42," igr1= "154," "155," "156," igr2= "174," "175," &end # # 1773 ILE QG2 1777 ILE HB 4.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "223," r1= "1.30," r2= "1.80," r3= "4.64," r4= "5.14," igr1= "154," "155," "156," &end # # 1770 ARG+ QB 1773 ILE QG2 6.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.92," r4= "7.42," igr1= "98," "99," igr2= "154," "155," "156," &end # # 1773 ILE QG2 1773 ILE QG1 5.03 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.03," r4= "5.53," igr1= "154," "155," "156," igr2= "158," "159," &end # # 1777 ILE QG2 1829 TYR QD 6.15 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.15," r4= "6.65," igr1= "225," "226," "227," igr2= "1020," "1029," &end # # 1777 ILE QG2 1829 TYR QE 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "225," "226," "227," igr2= "1022," "1027," &end # # 1777 ILE QG2 1830 HIS HA 4.59 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1035," r1= "1.30," r2= "1.80," r3= "4.59," r4= "5.09," igr1= "225," "226," "227," &end # # 1777 ILE QG2 1778 GLN HA 4 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "240," r1= "1.30," r2= "1.80," r3= "4.00," r4= "4.50," igr1= "225," "226," "227," &end # # 1777 ILE QG2 1830 HIS HB- 3.78 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.78," r4= "4.28," igr1= "225," "226," "227," igr2= "1037," "1038," &end # # 1777 ILE QG2 1833 HIS HB+ 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "225," "226," "227," igr2= "1086," "1087," &end # # 1777 ILE QG2 1780 LEU HB+ 5.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.70," r4= "6.20," igr1= "225," "226," "227," igr2= "270," "271," &end # # 1773 ILE QG2 1777 ILE QG2 6.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.88," r4= "7.38," igr1= "154," "155," "156," igr2= "225," "226," "227," &end # # 1773 ILE QG1 1829 TYR QD 6.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.93," r4= "7.43," igr1= "158," "159," igr2= "1020," "1029," &end # # 1773 ILE HA 1773 ILE QG1 3.78 (# ) &rst ixpk= "0," nxpk= "0," iat= "150," "-1," r1= "1.30," r2= "1.80," r3= "3.78," r4= "4.28," igr2= "158," "159," &end # # 1830 HIS HD2 1841 VAL QG2 4.89 (# ) &rst ixpk= "0," nxpk= "0," iat= "1046," "-1," r1= "1.30," r2= "1.80," r3= "4.89," r4= "5.39," igr2= "1212," "1213," "1214," &end # # 1839 CYS- HA 1841 VAL QG2 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "1180," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "1212," "1213," "1214," &end # # 1841 VAL HA 1841 VAL QG2 3.63 (# ) &rst ixpk= "0," nxpk= "0," iat= "1204," "-1," r1= "1.30," r2= "1.80," r3= "3.63," r4= "4.13," igr2= "1212," "1213," "1214," &end # # 1841 VAL QG2 1844 CYSZ HB+ 5.09 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.09," r4= "5.59," igr1= "1212," "1213," "1214," igr2= "1257," "1256," &end # # 1840 PRO HG- 1841 VAL QG2 5.28 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.28," r4= "5.78," igr1= "1192," "1193," igr2= "1212," "1213," "1214," &end # # 1777 ILE QG2 1841 VAL QG2 6.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.85," r4= "7.35," igr1= "225," "226," "227," igr2= "1212," "1213," "1214," &end # # 1781 VAL QQG 1841 VAL QG2 5.75 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.75," r4= "6.25," igr1= "291," "292," "293," "295," "296," "297," igr2= "1212," "1213," "1214," &end # # 1780 LEU QQD 1841 VAL QG2 5.91 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.91," r4= "6.41," igr1= "275," "276," "277," "279," "280," "281," igr2= "1212," "1213," "1214," &end # # 1841 VAL HB 1844 CYSZ HB- 3.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "1206," "-1," r1= "1.30," r2= "1.80," r3= "3.30," r4= "3.80," igr2= "1257," "1256," &end # # 1830 HIS HE1 1841 VAL QG1 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "1043," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "1208," "1209," "1210," &end # # 1841 VAL HA 1841 VAL QG1 4.08 (# ) &rst ixpk= "0," nxpk= "0," iat= "1204," "-1," r1= "1.30," r2= "1.80," r3= "4.08," r4= "4.58," igr2= "1208," "1209," "1210," &end # # 1830 HIS HB+ 1841 VAL QG1 6.05 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.05," r4= "6.55," igr1= "1037," "1038," igr2= "1208," "1209," "1210," &end # # 1841 VAL QG1 1844 CYSZ HB- 3.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.93," r4= "4.43," igr1= "1208," "1209," "1210," igr2= "1257," "1256," &end # # 1780 LEU HG 1841 VAL QG1 4.82 (# ) &rst ixpk= "0," nxpk= "0," iat= "273," "-1," r1= "1.30," r2= "1.80," r3= "4.82," r4= "5.32," igr2= "1208," "1209," "1210," &end # # 1781 VAL HA 1841 VAL HA 5.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "287," "1204," r1= "1.30," r2= "1.80," r3= "5.43," r4= "5.93," &end # # 1780 LEU HA 1781 VAL HA 4.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "268," "287," r1= "1.30," r2= "1.80," r3= "4.87," r4= "5.37," &end # # 1781 VAL HA 1784 CYS HB+ 4.57 (# ) &rst ixpk= "0," nxpk= "0," iat= "287," "-1," r1= "1.30," r2= "1.80," r3= "4.57," r4= "5.07," igr2= "332," "333," &end # # 1781 VAL HA 1784 CYS HB- 4.57 (# ) &rst ixpk= "0," nxpk= "0," iat= "287," "-1," r1= "1.30," r2= "1.80," r3= "4.57," r4= "5.07," igr2= "332," "333," &end # # 1781 VAL HA 1783 ALA QB 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "287," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "322," "323," "324," &end # # 1780 LEU HG 1781 VAL HA 4.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "273," "287," r1= "1.30," r2= "1.80," r3= "4.12," r4= "4.62," &end # # 1781 VAL HA 1781 VAL QG1 4.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "287," "-1," r1= "1.30," r2= "1.80," r3= "4.07," r4= "4.57," igr2= "291," "292," "293," &end # # 1781 VAL HA 1841 VAL QG2 3.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "287," "-1," r1= "1.30," r2= "1.80," r3= "3.70," r4= "4.20," igr2= "1212," "1213," "1214," &end # # 1778 GLN HA 1781 VAL HB 4.25 (# ) &rst ixpk= "0," nxpk= "0," iat= "240," "289," r1= "1.30," r2= "1.80," r3= "4.25," r4= "4.75," &end # # 1781 VAL HB 1841 VAL QG2 6.4 (# ) &rst ixpk= "0," nxpk= "0," iat= "289," "-1," r1= "1.30," r2= "1.80," r3= "6.40," r4= "6.90," igr2= "1212," "1213," "1214," &end # # 1781 VAL QG1 1782 HIS HA 5.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "303," r1= "1.30," r2= "1.80," r3= "5.74," r4= "6.24," igr1= "291," "292," "293," &end # # 1778 GLN HA 1781 VAL QG1 5.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "240," "-1," r1= "1.30," r2= "1.80," r3= "5.84," r4= "6.34," igr2= "291," "292," "293," &end # # 1781 VAL QG2 1830 HIS HE1 4.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1043," r1= "1.30," r2= "1.80," r3= "4.73," r4= "5.23," igr1= "295," "296," "297," &end # # 1781 VAL HA 1781 VAL QG2 4.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "287," "-1," r1= "1.30," r2= "1.80," r3= "4.07," r4= "4.57," igr2= "295," "296," "297," &end # # 1781 VAL QG2 1841 VAL QG2 5.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.84," r4= "6.34," igr1= "295," "296," "297," igr2= "1212," "1213," "1214," &end # # 1802 VAL HA 1805 HIS HD2 4.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "607," "667," r1= "1.30," r2= "1.80," r3= "4.46," r4= "4.96," &end # # 1799 MET HA 1802 VAL HA 6.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "544," "607," r1= "1.30," r2= "1.80," r3= "6.50," r4= "7.00," &end # # 1802 VAL HA 1805 HIS HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "607," "656," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1802 VAL HA 1806 THR HB 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "607," "675," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1802 VAL HA 1802 VAL QG1 3.78 (# ) &rst ixpk= "0," nxpk= "0," iat= "607," "-1," r1= "1.30," r2= "1.80," r3= "3.78," r4= "4.28," igr2= "611," "612," "613," &end # # 1802 VAL HB 3054 PHE QE 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "609," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "1781," "1785," &end # # 1802 VAL HB 1805 HIS HD2 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "609," "667," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1802 VAL QG1 3054 PHE QD 5.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.01," r4= "5.51," igr1= "611," "612," "613," igr2= "1779," "1787," &end # # 1802 VAL QG1 1805 HIS HD2 6.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "667," r1= "1.30," r2= "1.80," r3= "6.16," r4= "6.66," igr1= "611," "612," "613," &end # # 1799 MET HA 1802 VAL QG1 4.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "544," "-1," r1= "1.30," r2= "1.80," r3= "4.42," r4= "4.92," igr2= "611," "612," "613," &end # # 1802 VAL QG1 3053 TRP QB 7.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.01," r4= "7.51," igr1= "611," "612," "613," igr2= "1751," "1752," &end # # 1799 MET QE 1802 VAL QG1 7.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.51," r4= "8.01," igr1= "553," "554," "555," igr2= "611," "612," "613," &end # # 1802 VAL QG1 1806 THR QG2 7.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.93," r4= "8.43," igr1= "611," "612," "613," igr2= "677," "678," "679," &end # # 1798 LYS+ HA 1802 VAL QG1 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "522," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "611," "612," "613," &end # # 1802 VAL QG2 1805 HIS HD2 6.47 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "667," r1= "1.30," r2= "1.80," r3= "6.47," r4= "6.97," igr1= "615," "616," "617," &end # # 1799 MET HA 1802 VAL QG2 6.08 (# ) &rst ixpk= "0," nxpk= "0," iat= "544," "-1," r1= "1.30," r2= "1.80," r3= "6.08," r4= "6.58," igr2= "615," "616," "617," &end # # 1802 VAL QG2 1823 LEU HA 6.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "925," r1= "1.30," r2= "1.80," r3= "6.20," r4= "6.70," igr1= "615," "616," "617," &end # # 1780 LEU HA 1802 VAL QG2 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "268," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "615," "616," "617," &end # # 1798 LYS+ HA 1802 VAL QG2 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "522," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "615," "616," "617," &end # # 1802 VAL QG2 1803 VAL HA 5.94 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "623," r1= "1.30," r2= "1.80," r3= "5.94," r4= "6.44," igr1= "615," "616," "617," &end # # 1802 VAL QG2 1823 LEU HB- 5.27 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.27," r4= "5.77," igr1= "615," "616," "617," igr2= "927," "928," &end # # 1799 MET QE 1802 VAL QG2 6.91 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.91," r4= "7.41," igr1= "553," "554," "555," igr2= "615," "616," "617," &end # # 1802 VAL QG2 1823 LEU HG 6.26 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "930," r1= "1.30," r2= "1.80," r3= "6.26," r4= "6.76," igr1= "615," "616," "617," &end # # 1803 VAL HA 1843 PHE QE 6.03 (# ) &rst ixpk= "0," nxpk= "0," iat= "623," "-1," r1= "1.30," r2= "1.80," r3= "6.03," r4= "6.53," igr2= "1242," "1246," &end # # 1803 VAL HA 1806 THR HB 4.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "623," "675," r1= "1.30," r2= "1.80," r3= "4.61," r4= "5.11," &end # # 1803 VAL HA 1806 THR QG2 3.67 (# ) &rst ixpk= "0," nxpk= "0," iat= "623," "-1," r1= "1.30," r2= "1.80," r3= "3.67," r4= "4.17," igr2= "677," "678," "679," &end # # 1803 VAL HA 1803 VAL QG1 3.69 (# ) &rst ixpk= "0," nxpk= "0," iat= "623," "-1," r1= "1.30," r2= "1.80," r3= "3.69," r4= "4.19," igr2= "627," "628," "629," &end # # 1803 VAL HA 1803 VAL QG2 3.69 (# ) &rst ixpk= "0," nxpk= "0," iat= "623," "-1," r1= "1.30," r2= "1.80," r3= "3.69," r4= "4.19," igr2= "631," "632," "633," &end # # 1803 VAL QG1 1842 PRO HD+ 6.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.14," r4= "6.64," igr1= "627," "628," "629," igr2= "1219," "1220," &end # # 1800 LYS+ HA 1803 VAL QG1 5.1 (# ) &rst ixpk= "0," nxpk= "0," iat= "561," "-1," r1= "1.30," r2= "1.80," r3= "5.10," r4= "5.60," igr2= "627," "628," "629," &end # # 1803 VAL QG1 1804 GLN QG 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "627," "628," "629," igr2= "644," "645," &end # # 1803 VAL QG1 1806 THR QG2 6.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.97," r4= "7.47," igr1= "627," "628," "629," igr2= "677," "678," "679," &end # # 1784 CYS HA 1803 VAL QG2 5.09 (# ) &rst ixpk= "0," nxpk= "0," iat= "330," "-1," r1= "1.30," r2= "1.80," r3= "5.09," r4= "5.59," igr2= "631," "632," "633," &end # # 1803 VAL QG2 1804 GLN QG 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "631," "632," "633," igr2= "644," "645," &end # # 1805 HIS HD2 1819 VAL HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "667," "860," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1819 VAL HA 1822 GLN QB 4.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "860," "-1," r1= "1.30," r2= "1.80," r3= "4.41," r4= "4.91," igr2= "910," "911," &end # # 1819 VAL HA 1819 VAL QG2 4.06 (# ) &rst ixpk= "0," nxpk= "0," iat= "860," "-1," r1= "1.30," r2= "1.80," r3= "4.06," r4= "4.56," igr2= "868," "869," "870," &end # # 1805 HIS HD2 1819 VAL HB 4.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "667," "862," r1= "1.30," r2= "1.80," r3= "4.93," r4= "5.43," &end # # 1819 VAL HA 1819 VAL HB 2.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "860," "862," r1= "1.30," r2= "1.80," r3= "2.98," r4= "3.48," &end # # 1805 HIS HD2 1819 VAL QG1 5.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "667," "-1," r1= "1.30," r2= "1.80," r3= "5.07," r4= "5.57," igr2= "864," "865," "866," &end # # 1819 VAL HA 1819 VAL QG1 4.06 (# ) &rst ixpk= "0," nxpk= "0," iat= "860," "-1," r1= "1.30," r2= "1.80," r3= "4.06," r4= "4.56," igr2= "864," "865," "866," &end # # 1799 MET HA 1799 MET HG- 3.48 (# ) &rst ixpk= "0," nxpk= "0," iat= "544," "-1," r1= "1.30," r2= "1.80," r3= "3.48," r4= "3.98," igr2= "549," "550," &end # # 1776 CYS HA 1799 MET HG- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "210," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "549," "550," &end # # 1780 LEU HA 1799 MET HG- 4.02 (# ) &rst ixpk= "0," nxpk= "0," iat= "268," "-1," r1= "1.30," r2= "1.80," r3= "4.02," r4= "4.52," igr2= "549," "550," &end # # 1795 SER HB+ 1799 MET HG- 4.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.64," r4= "5.14," igr1= "486," "487," igr2= "549," "550," &end # # 1799 MET HG- 1799 MET QE 4.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.42," r4= "4.92," igr1= "549," "550," igr2= "553," "554," "555," &end # # 1799 MET HG- 1802 VAL QQG 6.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.79," r4= "7.29," igr1= "549," "550," igr2= "611," "612," "613," "615," "616," "617," &end # # 1780 LEU HG 1799 MET HG+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "273," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "549," "550," &end # # 1780 LEU HA 1799 MET HA 4.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "268," "544," r1= "1.30," r2= "1.80," r3= "4.96," r4= "5.46," &end # # 1798 LYS+ HA 1799 MET HA 5.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "522," "544," r1= "1.30," r2= "1.80," r3= "5.46," r4= "5.96," &end # # 1822 GLN QB 3053 TRP HA 4.47 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1749," r1= "1.30," r2= "1.80," r3= "4.47," r4= "4.97," igr1= "910," "911," &end # # 3052 GLN HG- 3053 TRP HD1 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1755," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "1737," "1738," &end # # 3052 GLN HG+ 3053 TRP HD1 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1755," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "1737," "1738," &end # # 1785 GLN HA 1785 GLN HG+ 3.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "341," "-1," r1= "1.30," r2= "1.80," r3= "3.92," r4= "4.42," igr2= "346," "347," &end # # 1785 GLN HA 1785 GLN HG- 3.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "341," "-1," r1= "1.30," r2= "1.80," r3= "3.92," r4= "4.42," igr2= "346," "347," &end # # 1765 PRO HA 1768 SER QB 3.57 (# ) &rst ixpk= "0," nxpk= "0," iat= "23," "-1," r1= "1.30," r2= "1.80," r3= "3.57," r4= "4.07," igr2= "63," "64," &end # # 1817 CYS- HA 1818 PRO HB+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "836," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "851," "852," &end # # 1817 CYS- HA 1818 PRO HB- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "836," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "851," "852," &end # # 1811 ARG+ QD 1818 PRO HD- 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "756," "757," igr2= "845," "846," &end # # 1811 ARG+ QD 1818 PRO HD+ 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "756," "757," igr2= "845," "846," &end # # 1842 PRO HD+ 1843 PHE QD 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1219," "1220," igr2= "1240," "1248," &end # # 1842 PRO HD- 1843 PHE QD 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1219," "1220," igr2= "1240," "1248," &end # # 1841 VAL QG1 1842 PRO HD+ 4.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.23," r4= "4.73," igr1= "1208," "1209," "1210," igr2= "1219," "1220," &end # # 1841 VAL QG2 1842 PRO HD+ 4.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.88," r4= "5.38," igr1= "1212," "1213," "1214," igr2= "1219," "1220," &end # # 1841 VAL QG2 1842 PRO HD- 4.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.88," r4= "5.38," igr1= "1212," "1213," "1214," igr2= "1219," "1220," &end # # 1803 VAL QG1 1842 PRO HD- 6.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.14," r4= "6.64," igr1= "627," "628," "629," igr2= "1219," "1220," &end # # 1803 VAL QG2 1842 PRO HD- 6.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.14," r4= "6.64," igr1= "631," "632," "633," igr2= "1219," "1220," &end # # 1841 VAL QG1 1842 PRO HD- 4.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.23," r4= "4.73," igr1= "1208," "1209," "1210," igr2= "1219," "1220," &end # # 1842 PRO HA 1843 PHE QD 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "1228," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "1240," "1248," &end # # 1842 PRO HB- 1843 PHE QD 5.04 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.04," r4= "5.54," igr1= "1225," "1226," igr2= "1240," "1248," &end # # 1780 LEU HA 1799 MET HB+ 3.9 (# ) &rst ixpk= "0," nxpk= "0," iat= "268," "-1," r1= "1.30," r2= "1.80," r3= "3.90," r4= "4.40," igr2= "546," "547," &end # # 1841 VAL QG1 1842 PRO HB+ 6.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.34," r4= "6.84," igr1= "1208," "1209," "1210," igr2= "1225," "1226," &end # # 1842 PRO HB+ 1843 PHE QD 5.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.19," r4= "5.69," igr1= "1225," "1226," igr2= "1240," "1248," &end # # 1784 CYS HB+ 1840 PRO HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1198," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "332," "333," &end # # 1784 CYS HB- 1840 PRO HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1198," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "332," "333," &end # # 1840 PRO HA 1841 VAL QG2 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "1198," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "1212," "1213," "1214," &end # # 1839 CYS- HA 1840 PRO HD+ 3.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "1180," "-1," r1= "1.30," r2= "1.80," r3= "3.23," r4= "3.73," igr2= "1189," "1190," &end # # 1839 CYS- HB- 1840 PRO HD+ 3.47 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.47," r4= "3.97," igr1= "1183," "1182," igr2= "1189," "1190," &end # # 1840 PRO HD+ 1841 VAL QG2 5.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.43," r4= "5.93," igr1= "1189," "1190," igr2= "1212," "1213," "1214," &end # # 1840 PRO HD- 1841 VAL QG2 5.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.43," r4= "5.93," igr1= "1189," "1190," igr2= "1212," "1213," "1214," &end # # 1839 CYS- HB- 1840 PRO HD- 3.47 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.47," r4= "3.97," igr1= "1183," "1182," igr2= "1189," "1190," &end # # 1839 CYS- HA 1840 PRO HD- 3.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "1180," "-1," r1= "1.30," r2= "1.80," r3= "3.23," r4= "3.73," igr2= "1189," "1190," &end # # 1764 SER HA 1765 PRO HD- 2.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "4," "-1," r1= "1.30," r2= "1.80," r3= "2.97," r4= "3.47," igr2= "14," "15," &end # # 1765 PRO HD+ 1766 GLN HB- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "14," "15," igr2= "31," "32," &end # # 1765 PRO HD- 1766 GLN HB- 4.63 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.63," r4= "5.13," igr1= "14," "15," igr2= "31," "32," &end # # 1793 LEU QQD 1794 PRO HD+ 5.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.38," r4= "5.88," igr1= "458," "459," "460," "462," "463," "464," igr2= "469," "470," &end # # 1793 LEU QQD 1794 PRO HD- 5.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.38," r4= "5.88," igr1= "458," "459," "460," "462," "463," "464," igr2= "469," "470," &end # # 1793 LEU HB+ 1794 PRO HD- 3.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.60," r4= "4.10," igr1= "453," "454," igr2= "469," "470," &end # # 1793 LEU HA 1794 PRO HD- 2.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "451," "-1," r1= "1.30," r2= "1.80," r3= "2.96," r4= "3.46," igr2= "469," "470," &end # # 1835 GLN HA 1835 GLN QG 4.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "1112," "-1," r1= "1.30," r2= "1.80," r3= "4.12," r4= "4.62," igr2= "1117," "1118," &end # # 1764 SER HA 1765 PRO HD+ 2.4 (# ) &rst ixpk= "0," nxpk= "0," iat= "4," "-1," r1= "1.30," r2= "1.80," r3= "2.40," r4= "2.90," igr2= "14," "15," &end # # 1764 SER HA 1766 GLN HB- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "4," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "31," "32," &end # # 1779 SER HA 1782 HIS HB+ 3.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "257," "-1," r1= "1.30," r2= "1.80," r3= "3.16," r4= "3.66," igr2= "305," "306," &end # # 1779 SER HA 1796 CYSZ HB- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "257," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "498," "497," &end # # 1779 SER HA 1783 ALA QB 6.05 (# ) &rst ixpk= "0," nxpk= "0," iat= "257," "-1," r1= "1.30," r2= "1.80," r3= "6.05," r4= "6.55," igr2= "322," "323," "324," &end # # 1779 SER HA 1782 HIS HD2 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "257," "314," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1779 SER HB+ 1799 MET HB- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "259," "260," igr2= "546," "547," &end # # 1779 SER HB- 1799 MET HB- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "259," "260," igr2= "546," "547," &end # # 1795 SER HA 1799 MET HG- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "484," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "549," "550," &end # # 1795 SER HA 1799 MET HG+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "484," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "549," "550," &end # # 1795 SER HA 1798 LYS+ QD 4.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "484," "-1," r1= "1.30," r2= "1.80," r3= "4.19," r4= "4.69," igr2= "530," "531," &end # # 1795 SER HB- 1799 MET HG- 4.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.64," r4= "5.14," igr1= "486," "487," igr2= "549," "550," &end # # 1793 LEU HA 1794 PRO HD+ 2.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "451," "-1," r1= "1.30," r2= "1.80," r3= "2.96," r4= "3.46," igr2= "469," "470," &end # # 1793 LEU HA 1793 LEU QQD 4.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "451," "-1," r1= "1.30," r2= "1.80," r3= "4.60," r4= "5.10," igr2= "458," "459," "460," "462," "463," "464," &end # # 1782 HIS HD2 1793 LEU HB- 5.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "314," "-1," r1= "1.30," r2= "1.80," r3= "5.43," r4= "5.93," igr2= "453," "454," &end # # 1793 LEU HB- 1794 PRO HD+ 4.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.88," r4= "5.38," igr1= "453," "454," igr2= "469," "470," &end # # 1793 LEU HB- 1796 CYSZ HA 5.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "495," r1= "1.30," r2= "1.80," r3= "5.46," r4= "5.96," igr1= "453," "454," &end # # 1793 LEU HB- 1794 PRO HD- 4.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.88," r4= "5.38," igr1= "453," "454," igr2= "469," "470," &end # # 1793 LEU HB- 1796 CYSZ HB+ 3.37 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.37," r4= "3.87," igr1= "453," "454," igr2= "498," "497," &end # # 1793 LEU HB- 1796 CYSZ HB- 3.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.34," r4= "3.84," igr1= "453," "454," igr2= "498," "497," &end # # 1793 LEU HB+ 1793 LEU QQD 4.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.50," r4= "5.00," igr1= "453," "454," igr2= "458," "459," "460," "462," "463," "464," &end # # 1793 LEU HB+ 1796 CYSZ HB- 3.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.60," r4= "4.10," igr1= "453," "454," igr2= "498," "497," &end # # 1793 LEU HB+ 1796 CYSZ HB+ 3.56 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.56," r4= "4.06," igr1= "453," "454," igr2= "498," "497," &end # # 1793 LEU HB+ 1794 PRO HD+ 3.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.60," r4= "4.10," igr1= "453," "454," igr2= "469," "470," &end # # 1782 HIS HD2 1793 LEU HB+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "314," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "453," "454," &end # # 1793 LEU HA 1793 LEU HG 3.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "451," "456," r1= "1.30," r2= "1.80," r3= "3.85," r4= "4.35," &end # # 1793 LEU HG 1796 CYSZ HB- 4.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "456," "-1," r1= "1.30," r2= "1.80," r3= "4.46," r4= "4.96," igr2= "498," "497," &end # # 1793 LEU HA 1793 LEU QQD 4.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "451," "-1," r1= "1.30," r2= "1.80," r3= "4.60," r4= "5.10," igr2= "458," "459," "460," "462," "463," "464," &end # # 1793 LEU QQD 1794 PRO HD+ 5.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.38," r4= "5.88," igr1= "458," "459," "460," "462," "463," "464," igr2= "469," "470," &end # # 1793 LEU QQD 1794 PRO HD- 5.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.38," r4= "5.88," igr1= "458," "459," "460," "462," "463," "464," igr2= "469," "470," &end # # 1793 LEU QQD 1796 CYSZ HB+ 5.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.32," r4= "5.82," igr1= "458," "459," "460," "462," "463," "464," igr2= "498," "497," &end # # 1791 CYS- QB 1793 LEU QQD 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "433," "432," igr2= "458," "459," "460," "462," "463," "464," &end # # 1793 LEU QQD 1796 CYSZ HB- 5.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.12," r4= "5.62," igr1= "458," "459," "460," "462," "463," "464," igr2= "498," "497," &end # # 1793 LEU HB+ 1793 LEU QQD 4.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.50," r4= "5.00," igr1= "453," "454," igr2= "458," "459," "460," "462," "463," "464," &end # # 1782 HIS HD2 1793 LEU QQD 6.09 (# ) &rst ixpk= "0," nxpk= "0," iat= "314," "-1," r1= "1.30," r2= "1.80," r3= "6.09," r4= "6.59," igr2= "458," "459," "460," "462," "463," "464," &end # # 1793 LEU QQD 1796 CYSZ HB+ 5.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.32," r4= "5.82," igr1= "458," "459," "460," "462," "463," "464," igr2= "498," "497," &end # # 1791 CYS- QB 1793 LEU QQD 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "433," "432," igr2= "458," "459," "460," "462," "463," "464," &end # # 1793 LEU QQD 1796 CYSZ HB- 5.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.12," r4= "5.62," igr1= "458," "459," "460," "462," "463," "464," igr2= "498," "497," &end # # 1848 LYS+ HA 1851 LEU HB- 3.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "1316," "-1," r1= "1.30," r2= "1.80," r3= "3.46," r4= "3.96," igr2= "1380," "1381," &end # # 1851 LEU HB- 1851 LEU QQD 4.26 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.26," r4= "4.76," igr1= "1380," "1381," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1851 LEU HB+ 1851 LEU QQD 4.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.12," r4= "4.62," igr1= "1380," "1381," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1848 LYS+ HA 1851 LEU HB+ 3.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "1316," "-1," r1= "1.30," r2= "1.80," r3= "3.64," r4= "4.14," igr2= "1380," "1381," &end # # 1851 LEU HA 1851 LEU HG 3.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "1378," "1383," r1= "1.30," r2= "1.80," r3= "3.70," r4= "4.20," &end # # 1850 LYS+ HG+ 1851 LEU HG 4.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1383," r1= "1.30," r2= "1.80," r3= "4.19," r4= "4.69," igr1= "1361," "1362," &end # # 1851 LEU HA 1851 LEU QQD 4.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "1378," "-1," r1= "1.30," r2= "1.80," r3= "4.97," r4= "5.47," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1848 LYS+ HA 1851 LEU QQD 5.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "1316," "-1," r1= "1.30," r2= "1.80," r3= "5.73," r4= "6.23," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1832 LYS+ QE 1851 LEU QQD 6.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.85," r4= "7.35," igr1= "1073," "1074," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1851 LEU QQD 1854 GLN QG 7.21 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.21," r4= "7.71," igr1= "1385," "1386," "1387," "1389," "1390," "1391," igr2= "1443," "1444," &end # # 1780 LEU HB- 1780 LEU QQD 4.24 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.24," r4= "4.74," igr1= "270," "271," igr2= "275," "276," "277," "279," "280," "281," &end # # 1780 LEU HG 1827 CYS HA 4.81 (# ) &rst ixpk= "0," nxpk= "0," iat= "273," "992," r1= "1.30," r2= "1.80," r3= "4.81," r4= "5.31," &end # # 1777 ILE HA 1780 LEU HG 5.03 (# ) &rst ixpk= "0," nxpk= "0," iat= "221," "273," r1= "1.30," r2= "1.80," r3= "5.03," r4= "5.53," &end # # 1780 LEU HG 1841 VAL QG2 5.39 (# ) &rst ixpk= "0," nxpk= "0," iat= "273," "-1," r1= "1.30," r2= "1.80," r3= "5.39," r4= "5.89," igr2= "1212," "1213," "1214," &end # # 1780 LEU HA 1799 MET HG+ 3.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "268," "-1," r1= "1.30," r2= "1.80," r3= "3.70," r4= "4.20," igr2= "549," "550," &end # # 1777 ILE HA 1780 LEU QQD 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "221," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "275," "276," "277," "279," "280," "281," &end # # 1780 LEU HB- 1780 LEU QQD 4.24 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.24," r4= "4.74," igr1= "270," "271," igr2= "275," "276," "277," "279," "280," "281," &end # # 1777 ILE HA 1780 LEU QQD 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "221," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "275," "276," "277," "279," "280," "281," &end # # 1780 LEU QQD 1781 VAL HB 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "289," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "275," "276," "277," "279," "280," "281," &end # # 1823 LEU HB+ 1843 PHE QE 5.49 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.49," r4= "5.99," igr1= "927," "928," igr2= "1242," "1246," &end # # 1823 LEU HB- 1843 PHE HZ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1244," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "927," "928," &end # # 1823 LEU HB- 1843 PHE QE 5.48 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.48," r4= "5.98," igr1= "927," "928," igr2= "1242," "1246," &end # # 1823 LEU HB- 3054 PHE QE 5.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.98," r4= "6.48," igr1= "927," "928," igr2= "1781," "1785," &end # # 1832 LYS+ HA 1851 LEU HB- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1062," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "1380," "1381," &end # # 1832 LYS+ HA 1851 LEU HG 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1062," "1383," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1832 LYS+ HA 1832 LYS+ HG- 3.35 (# ) &rst ixpk= "0," nxpk= "0," iat= "1062," "-1," r1= "1.30," r2= "1.80," r3= "3.35," r4= "3.85," igr2= "1067," "1068," &end # # 1832 LYS+ HB- 1833 HIS HD2 5.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1096," r1= "1.30," r2= "1.80," r3= "5.01," r4= "5.51," igr1= "1064," "1065," &end # # 1829 TYR HA 1832 LYS+ HB- 3.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "1014," "-1," r1= "1.30," r2= "1.80," r3= "3.92," r4= "4.42," igr2= "1064," "1065," &end # # 1832 LYS+ HB- 1832 LYS+ QE 4.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.74," r4= "5.24," igr1= "1064," "1065," igr2= "1073," "1074," &end # # 1832 LYS+ HB+ 1832 LYS+ QE 4.62 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.62," r4= "5.12," igr1= "1064," "1065," igr2= "1073," "1074," &end # # 1832 LYS+ HG- 1832 LYS+ QE 3.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.84," r4= "4.34," igr1= "1067," "1068," igr2= "1073," "1074," &end # # 1832 LYS+ HG- 1851 LEU QQD 4.82 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.82," r4= "5.32," igr1= "1067," "1068," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1832 LYS+ HG- 1851 LEU QQD 4.82 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.82," r4= "5.32," igr1= "1067," "1068," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1832 LYS+ HA 1832 LYS+ HG+ 3.63 (# ) &rst ixpk= "0," nxpk= "0," iat= "1062," "-1," r1= "1.30," r2= "1.80," r3= "3.63," r4= "4.13," igr2= "1067," "1068," &end # # 1832 LYS+ HG- 1832 LYS+ QD 3.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.41," r4= "3.91," igr1= "1067," "1068," igr2= "1070," "1071," &end # # 1832 LYS+ HG+ 1832 LYS+ QD 3.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.01," r4= "3.51," igr1= "1067," "1068," igr2= "1070," "1071," &end # # 1832 LYS+ HA 1832 LYS+ QD 4.82 (# ) &rst ixpk= "0," nxpk= "0," iat= "1062," "-1," r1= "1.30," r2= "1.80," r3= "4.82," r4= "5.32," igr2= "1070," "1071," &end # # 1832 LYS+ QD 1832 LYS+ QE 3.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.79," r4= "4.29," igr1= "1070," "1071," igr2= "1073," "1074," &end # # 1832 LYS+ HG+ 1832 LYS+ QE 4.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.07," r4= "4.57," igr1= "1067," "1068," igr2= "1073," "1074," &end # # 1829 TYR QD 1832 LYS+ QE 6.89 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.89," r4= "7.39," igr1= "1020," "1029," igr2= "1073," "1074," &end # # 1832 LYS+ QE 1833 HIS HE1 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1092," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1073," "1074," &end # # 1845 LEU HA 1848 LYS+ HE+ 4.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "1264," "-1," r1= "1.30," r2= "1.80," r3= "4.01," r4= "4.51," igr2= "1327," "1328," &end # # 1848 LYS+ HB+ 1848 LYS+ HE+ 4.4 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.40," r4= "4.90," igr1= "1318," "1319," igr2= "1327," "1328," &end # # 1848 LYS+ HB- 1848 LYS+ HE+ 4.4 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.40," r4= "4.90," igr1= "1318," "1319," igr2= "1327," "1328," &end # # 1845 LEU HA 1848 LYS+ HE- 4.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "1264," "-1," r1= "1.30," r2= "1.80," r3= "4.01," r4= "4.51," igr2= "1327," "1328," &end # # 1831 ALA HA 1848 LYS+ QD 4.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "1052," "-1," r1= "1.30," r2= "1.80," r3= "4.53," r4= "5.03," igr2= "1324," "1325," &end # # 1800 LYS+ HA 1800 LYS+ QD 4.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "561," "-1," r1= "1.30," r2= "1.80," r3= "4.93," r4= "5.43," igr2= "569," "570," &end # # 1848 LYS+ HA 1848 LYS+ QD 4.77 (# ) &rst ixpk= "0," nxpk= "0," iat= "1316," "-1," r1= "1.30," r2= "1.80," r3= "4.77," r4= "5.27," igr2= "1324," "1325," &end # # 1834 CYS- HB+ 1848 LYS+ QD 3.67 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.67," r4= "4.17," igr1= "1105," "1104," igr2= "1324," "1325," &end # # 1831 ALA HA 1848 LYS+ HG- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1052," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "1321," "1322," &end # # 1848 LYS+ HA 1848 LYS+ HG- 4 (# ) &rst ixpk= "0," nxpk= "0," iat= "1316," "-1," r1= "1.30," r2= "1.80," r3= "4.00," r4= "4.50," igr2= "1321," "1322," &end # # 1848 LYS+ HB+ 1848 LYS+ HE- 4.4 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.40," r4= "4.90," igr1= "1318," "1319," igr2= "1327," "1328," &end # # 1848 LYS+ HB- 1848 LYS+ HE- 4.4 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.40," r4= "4.90," igr1= "1318," "1319," igr2= "1327," "1328," &end # # 1800 LYS+ HA 1803 VAL HB 3.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "561," "625," r1= "1.30," r2= "1.80," r3= "3.86," r4= "4.36," &end # # 1800 LYS+ HA 1803 VAL QG2 5.1 (# ) &rst ixpk= "0," nxpk= "0," iat= "561," "-1," r1= "1.30," r2= "1.80," r3= "5.10," r4= "5.60," igr2= "631," "632," "633," &end # # 1784 CYS HA 1800 LYS+ HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "330," "561," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1783 ALA HA 1800 LYS+ HE+ 4.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "320," "-1," r1= "1.30," r2= "1.80," r3= "4.23," r4= "4.73," igr2= "572," "573," &end # # 1786 CYS- HB+ 1800 LYS+ HE+ 3.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.61," r4= "4.11," igr1= "361," "360," igr2= "572," "573," &end # # 1800 LYS+ HG- 1800 LYS+ HE+ 3.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.87," r4= "4.37," igr1= "566," "567," igr2= "572," "573," &end # # 1800 LYS+ HA 1800 LYS+ HG- 3.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "561," "-1," r1= "1.30," r2= "1.80," r3= "3.32," r4= "3.82," igr2= "566," "567," &end # # 1800 LYS+ HG- 1800 LYS+ HE- 3.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.87," r4= "4.37," igr1= "566," "567," igr2= "572," "573," &end # # 1800 LYS+ HG+ 1800 LYS+ HE- 3.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.87," r4= "4.37," igr1= "566," "567," igr2= "572," "573," &end # # 1800 LYS+ HG+ 1800 LYS+ HE+ 3.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.87," r4= "4.37," igr1= "566," "567," igr2= "572," "573," &end # # 1797 GLN HA 1800 LYS+ HB- 4.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "505," "-1," r1= "1.30," r2= "1.80," r3= "4.17," r4= "4.67," igr2= "563," "564," &end # # 1800 LYS+ HB- 1800 LYS+ HE+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "563," "564," igr2= "572," "573," &end # # 1800 LYS+ HB- 1800 LYS+ HE- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "563," "564," igr2= "572," "573," &end # # 1800 LYS+ HB+ 1800 LYS+ HE- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "563," "564," igr2= "572," "573," &end # # 1800 LYS+ HB+ 1800 LYS+ HE+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "563," "564," igr2= "572," "573," &end # # 1797 GLN HA 1800 LYS+ HB+ 4.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "505," "-1," r1= "1.30," r2= "1.80," r3= "4.17," r4= "4.67," igr2= "563," "564," &end # # 1786 CYS- HA 1787 ARG+ HA 4.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "358," "368," r1= "1.30," r2= "1.80," r3= "4.64," r4= "5.14," &end # # 1786 CYS- HA 1800 LYS+ HE+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "358," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "572," "573," &end # # 1786 CYS- HA 1800 LYS+ HE- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "358," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "572," "573," &end # # 1786 CYS- HA 1786 CYS- HB- 2.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "358," "-1," r1= "1.30," r2= "1.80," r3= "2.87," r4= "3.37," igr2= "361," "360," &end # # 1783 ALA HA 1786 CYS- HA 4.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "320," "358," r1= "1.30," r2= "1.80," r3= "4.99," r4= "5.49," &end # # 1787 ARG+ HA 1787 ARG+ QD 3.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "368," "-1," r1= "1.30," r2= "1.80," r3= "3.79," r4= "4.29," igr2= "376," "377," &end # # 1787 ARG+ HA 1787 ARG+ HB+ 3.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "368," "-1," r1= "1.30," r2= "1.80," r3= "3.97," r4= "4.47," igr2= "370," "371," &end # # 1784 CYS HB- 1840 PRO HG+ 5.47 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.47," r4= "5.97," igr1= "332," "333," igr2= "1192," "1193," &end # # 1784 CYS HB+ 1840 PRO HG+ 5.47 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.47," r4= "5.97," igr1= "332," "333," igr2= "1192," "1193," &end # # 1839 CYS- HB- 1840 PRO HG+ 5.39 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.39," r4= "5.89," igr1= "1183," "1182," igr2= "1192," "1193," &end # # 1840 PRO HG+ 1841 VAL QG2 5.28 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.28," r4= "5.78," igr1= "1192," "1193," igr2= "1212," "1213," "1214," &end # # 1784 CYS HB- 1840 PRO HG- 5.47 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.47," r4= "5.97," igr1= "332," "333," igr2= "1192," "1193," &end # # 1784 CYS HB+ 1840 PRO HG- 5.47 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.47," r4= "5.97," igr1= "332," "333," igr2= "1192," "1193," &end # # 1787 ARG+ HB+ 1787 ARG+ QD 3.56 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.56," r4= "4.06," igr1= "370," "371," igr2= "376," "377," &end # # 3047 PRO HA 3050 ILE HB 5.09 (# ) &rst ixpk= "0," nxpk= "0," iat= "1668," "1700," r1= "1.30," r2= "1.80," r3= "5.09," r4= "5.59," &end # # 1778 GLN HA 1778 GLN HG+ 4.08 (# ) &rst ixpk= "0," nxpk= "0," iat= "240," "-1," r1= "1.30," r2= "1.80," r3= "4.08," r4= "4.58," igr2= "245," "246," &end # # 1778 GLN HA 1781 VAL QG2 5.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "240," "-1," r1= "1.30," r2= "1.80," r3= "5.72," r4= "6.22," igr2= "295," "296," "297," &end # # 1811 ARG+ QB 1811 ARG+ QD 3.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.87," r4= "4.37," igr1= "750," "751," igr2= "756," "757," &end # # 1811 ARG+ QB 1817 CYS- HB+ 4.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.60," r4= "5.10," igr1= "750," "751," igr2= "839," "838," &end # # 1811 ARG+ HA 1811 ARG+ QD 5.03 (# ) &rst ixpk= "0," nxpk= "0," iat= "748," "-1," r1= "1.30," r2= "1.80," r3= "5.03," r4= "5.53," igr2= "756," "757," &end # # 1811 ARG+ HA 1817 CYS- HB+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "748," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "839," "838," &end # # 1811 ARG+ HA 1817 CYS- HB- 5.06 (# ) &rst ixpk= "0," nxpk= "0," iat= "748," "-1," r1= "1.30," r2= "1.80," r3= "5.06," r4= "5.56," igr2= "839," "838," &end # # 1811 ARG+ HA 1811 ARG+ HG- 4.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "748," "-1," r1= "1.30," r2= "1.80," r3= "4.13," r4= "4.63," igr2= "753," "754," &end # # 1811 ARG+ HG+ 1817 CYS- HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "836," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "753," "754," &end # # 1811 ARG+ HA 1811 ARG+ HG+ 4.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "748," "-1," r1= "1.30," r2= "1.80," r3= "4.13," r4= "4.63," igr2= "753," "754," &end # # 1811 ARG+ HG+ 1817 CYS- HB- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "753," "754," igr2= "839," "838," &end # # 1811 ARG+ HG- 1817 CYS- HB- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "753," "754," igr2= "839," "838," &end # # 1811 ARG+ HG- 1817 CYS- HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "836," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "753," "754," &end # # 1811 ARG+ QD 1817 CYS- HA 4.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "836," r1= "1.30," r2= "1.80," r3= "4.34," r4= "4.84," igr1= "756," "757," &end # # 1801 ARG+ HA 1801 ARG+ QG 3.91 (# ) &rst ixpk= "0," nxpk= "0," iat= "583," "-1," r1= "1.30," r2= "1.80," r3= "3.91," r4= "4.41," igr2= "588," "589," &end # # 1775 ARG+ HA 1775 ARG+ QG 4.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "186," "-1," r1= "1.30," r2= "1.80," r3= "4.12," r4= "4.62," igr2= "191," "192," &end # # 1801 ARG+ HA 1801 ARG+ QD 4.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "583," "-1," r1= "1.30," r2= "1.80," r3= "4.85," r4= "5.35," igr2= "591," "592," &end # # 1826 LEU HB+ 1826 LEU QQD 4.58 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.58," r4= "5.08," igr1= "975," "976," igr2= "980," "981," "982," "984," "985," "986," &end # # 1826 LEU HB+ 1826 LEU QQD 4.58 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.58," r4= "5.08," igr1= "975," "976," igr2= "980," "981," "982," "984," "985," "986," &end # # 1826 LEU HB- 1826 LEU QQD 4.58 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.58," r4= "5.08," igr1= "975," "976," igr2= "980," "981," "982," "984," "985," "986," &end # # 1823 LEU QQD 1843 PHE QE 6.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.43," r4= "6.93," igr1= "932," "933," "934," "936," "937," "938," igr2= "1242," "1246," &end # # 1823 LEU QQD 1843 PHE QE 6.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.43," r4= "6.93," igr1= "932," "933," "934," "936," "937," "938," igr2= "1242," "1246," &end # # 1803 VAL QG2 1842 PRO HD+ 6.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.14," r4= "6.64," igr1= "631," "632," "633," igr2= "1219," "1220," &end # # 1823 LEU HB- 1823 LEU QQD 4.04 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.04," r4= "4.54," igr1= "927," "928," igr2= "932," "933," "934," "936," "937," "938," &end # # 1823 LEU HG 1824 ILE QD1 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "930," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "955," "956," "957," &end # # 1826 LEU HA 1829 TYR QD 5.15 (# ) &rst ixpk= "0," nxpk= "0," iat= "973," "-1," r1= "1.30," r2= "1.80," r3= "5.15," r4= "5.65," igr2= "1020," "1029," &end # # 1826 LEU HA 1829 TYR HB+ 4.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "973," "-1," r1= "1.30," r2= "1.80," r3= "4.14," r4= "4.64," igr2= "1016," "1017," &end # # 1825 ALA QB 1826 LEU HA 4.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "973," r1= "1.30," r2= "1.80," r3= "4.92," r4= "5.42," igr1= "965," "966," "967," &end # # 1826 LEU HA 1826 LEU QQD 4.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "973," "-1," r1= "1.30," r2= "1.80," r3= "4.52," r4= "5.02," igr2= "980," "981," "982," "984," "985," "986," &end # # 1826 LEU HA 1826 LEU QQD 4.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "973," "-1," r1= "1.30," r2= "1.80," r3= "4.52," r4= "5.02," igr2= "980," "981," "982," "984," "985," "986," &end # # 1826 LEU QQD 3053 TRP HE3 6.49 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1766," r1= "1.30," r2= "1.80," r3= "6.49," r4= "6.99," igr1= "980," "981," "982," "984," "985," "986," &end # # 1776 CYS HB- 1826 LEU QQD 4.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.70," r4= "5.20," igr1= "212," "213," igr2= "980," "981," "982," "984," "985," "986," &end # # 1768 SER QB 1771 LEU QQD 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "63," "64," igr2= "127," "128," "129," "131," "132," "133," &end # # 1770 ARG+ QD 1771 LEU QQD 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "104," "105," igr2= "127," "128," "129," "131," "132," "133," &end # # 1851 LEU HA 1851 LEU QQD 4.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "1378," "-1," r1= "1.30," r2= "1.80," r3= "4.97," r4= "5.47," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1848 LYS+ HA 1851 LEU QQD 5.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "1316," "-1," r1= "1.30," r2= "1.80," r3= "5.73," r4= "6.23," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1832 LYS+ QE 1851 LEU QQD 6.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.85," r4= "7.35," igr1= "1073," "1074," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1851 LEU HB- 1851 LEU QQD 4.26 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.26," r4= "4.76," igr1= "1380," "1381," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1851 LEU HB+ 1851 LEU QQD 4.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.12," r4= "4.62," igr1= "1380," "1381," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1768 SER QB 1771 LEU QQD 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "63," "64," igr2= "127," "128," "129," "131," "132," "133," &end # # 1770 ARG+ QD 1771 LEU QQD 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "104," "105," igr2= "127," "128," "129," "131," "132," "133," &end # # 1771 LEU HA 1774 GLN HG+ 4.65 (# ) &rst ixpk= "0," nxpk= "0," iat= "120," "-1," r1= "1.30," r2= "1.80," r3= "4.65," r4= "5.15," igr2= "174," "175," &end # # 1771 LEU HA 1774 GLN HB- 3.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "120," "-1," r1= "1.30," r2= "1.80," r3= "3.41," r4= "3.91," igr2= "171," "172," &end # # 1812 LYS+ HG+ 1820 CYSZ HB+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "777," "778," igr2= "879," "878," &end # # 1812 LYS+ HA 1820 CYSZ HB- 4.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "772," "-1," r1= "1.30," r2= "1.80," r3= "4.19," r4= "4.69," igr2= "879," "878," &end # # 1812 LYS+ HA 1817 CYS- HB+ 4.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "772," "-1," r1= "1.30," r2= "1.80," r3= "4.13," r4= "4.63," igr2= "839," "838," &end # # 1798 LYS+ QD 3054 PHE HA 5.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1773," r1= "1.30," r2= "1.80," r3= "5.74," r4= "6.24," igr1= "530," "531," &end # # 1811 ARG+ QB 1812 LYS+ HA 6.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "772," r1= "1.30," r2= "1.80," r3= "6.07," r4= "6.57," igr1= "750," "751," &end # # 1812 LYS+ HA 1812 LYS+ HG+ 4.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "772," "-1," r1= "1.30," r2= "1.80," r3= "4.07," r4= "4.57," igr2= "777," "778," &end # # 1812 LYS+ HA 1812 LYS+ HG- 4.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "772," "-1," r1= "1.30," r2= "1.80," r3= "4.07," r4= "4.57," igr2= "777," "778," &end # # 1802 VAL QG1 3054 PHE HA 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1773," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "611," "612," "613," &end # # 3054 PHE HA 3054 PHE QD 3.67 (# ) &rst ixpk= "0," nxpk= "0," iat= "1773," "-1," r1= "1.30," r2= "1.80," r3= "3.67," r4= "4.17," igr2= "1779," "1787," &end # # 1813 THR HB 1821 LYS+ HG+ 4.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "796," "-1," r1= "1.30," r2= "1.80," r3= "4.41," r4= "4.91," igr2= "891," "892," &end # # 1818 PRO HA 1821 LYS+ HG+ 5.27 (# ) &rst ixpk= "0," nxpk= "0," iat= "854," "-1," r1= "1.30," r2= "1.80," r3= "5.27," r4= "5.77," igr2= "891," "892," &end # # 1821 LYS+ HG+ 1821 LYS+ QE 4.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.16," r4= "4.66," igr1= "891," "892," igr2= "897," "898," &end # # 1821 LYS+ HG- 1821 LYS+ QE 4.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.16," r4= "4.66," igr1= "891," "892," igr2= "897," "898," &end # # 1813 THR HB 1821 LYS+ HG- 4.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "796," "-1," r1= "1.30," r2= "1.80," r3= "4.41," r4= "4.91," igr2= "891," "892," &end # # 1821 LYS+ HB+ 1821 LYS+ QE 4.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.60," r4= "5.10," igr1= "888," "889," igr2= "897," "898," &end # # 1848 LYS+ HA 1848 LYS+ HG+ 4 (# ) &rst ixpk= "0," nxpk= "0," iat= "1316," "-1," r1= "1.30," r2= "1.80," r3= "4.00," r4= "4.50," igr2= "1321," "1322," &end # # 1818 PRO HA 1821 LYS+ QD 4.39 (# ) &rst ixpk= "0," nxpk= "0," iat= "854," "-1," r1= "1.30," r2= "1.80," r3= "4.39," r4= "4.89," igr2= "894," "895," &end # # 1821 LYS+ HA 1821 LYS+ QD 5.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "886," "-1," r1= "1.30," r2= "1.80," r3= "5.83," r4= "6.33," igr2= "894," "895," &end # # 1821 LYS+ QD 1821 LYS+ QE 3.77 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.77," r4= "4.27," igr1= "894," "895," igr2= "897," "898," &end # # 1813 THR HB 1821 LYS+ QE 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "796," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "897," "898," &end # # 1821 LYS+ HA 1821 LYS+ QE 5.15 (# ) &rst ixpk= "0," nxpk= "0," iat= "886," "-1," r1= "1.30," r2= "1.80," r3= "5.15," r4= "5.65," igr2= "897," "898," &end # # 1821 LYS+ HB- 1821 LYS+ QE 4.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.60," r4= "5.10," igr1= "888," "889," igr2= "897," "898," &end # # 1810 LYS+ HA 1810 LYS+ HG+ 3.95 (# ) &rst ixpk= "0," nxpk= "0," iat= "726," "-1," r1= "1.30," r2= "1.80," r3= "3.95," r4= "4.45," igr2= "731," "732," &end # # 1810 LYS+ HG+ 1810 LYS+ QE 4.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.64," r4= "5.14," igr1= "731," "732," igr2= "737," "738," &end # # 1810 LYS+ HA 1810 LYS+ HG- 3.95 (# ) &rst ixpk= "0," nxpk= "0," iat= "726," "-1," r1= "1.30," r2= "1.80," r3= "3.95," r4= "4.45," igr2= "731," "732," &end # # 1845 LEU HB+ 1846 ASN HA 5.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1283," r1= "1.30," r2= "1.80," r3= "5.01," r4= "5.51," igr1= "1266," "1267," &end # # 1799 MET HA 1799 MET HG+ 3.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "544," "-1," r1= "1.30," r2= "1.80," r3= "3.86," r4= "4.36," igr2= "549," "550," &end # # 1838 LYS+ HB+ 1838 LYS+ QE 5.31 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.31," r4= "5.81," igr1= "1160," "1161," igr2= "1169," "1170," &end # # 1838 LYS+ HB- 1838 LYS+ QE 5.31 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.31," r4= "5.81," igr1= "1160," "1161," igr2= "1169," "1170," &end # # 1810 LYS+ HA 1810 LYS+ QD 3.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "726," "-1," r1= "1.30," r2= "1.80," r3= "3.87," r4= "4.37," igr2= "734," "735," &end # # 1810 LYS+ HA 1810 LYS+ QE 5.26 (# ) &rst ixpk= "0," nxpk= "0," iat= "726," "-1," r1= "1.30," r2= "1.80," r3= "5.26," r4= "5.76," igr2= "737," "738," &end # # 1810 LYS+ HG- 1810 LYS+ QE 4.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.64," r4= "5.14," igr1= "731," "732," igr2= "737," "738," &end # # 1837 ASN QB 1838 LYS+ HA 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1158," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1146," "1147," &end # # 1838 LYS+ HA 1839 CYS- HB+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1158," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "1183," "1182," &end # # 1847 ILE QG2 1850 LYS+ QE 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1301," "1302," "1303," igr2= "1367," "1368," &end # # 1807 LYS+ HA 1807 LYS+ HG+ 3.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "687," "-1," r1= "1.30," r2= "1.80," r3= "3.97," r4= "4.47," igr2= "692," "693," &end # # 1807 LYS+ HG+ 1807 LYS+ QE 4.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.32," r4= "4.82," igr1= "692," "693," igr2= "698," "699," &end # # 1807 LYS+ HG- 1807 LYS+ QE 4.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.32," r4= "4.82," igr1= "692," "693," igr2= "698," "699," &end # # 1807 LYS+ HA 1807 LYS+ HG- 3.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "687," "-1," r1= "1.30," r2= "1.80," r3= "3.97," r4= "4.47," igr2= "692," "693," &end # # 1804 GLN HA 1807 LYS+ QE 4.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "639," "-1," r1= "1.30," r2= "1.80," r3= "4.84," r4= "5.34," igr2= "698," "699," &end # # 1807 LYS+ QB 1807 LYS+ QE 5.06 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.06," r4= "5.56," igr1= "689," "690," igr2= "698," "699," &end # # 1850 LYS+ HA 1850 LYS+ HG- 4.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "1356," "-1," r1= "1.30," r2= "1.80," r3= "4.17," r4= "4.67," igr2= "1361," "1362," &end # # 1847 ILE HA 1850 LYS+ HG+ 4.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "1297," "-1," r1= "1.30," r2= "1.80," r3= "4.99," r4= "5.49," igr2= "1361," "1362," &end # # 1850 LYS+ HG+ 1851 LEU HA 4.44 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1378," r1= "1.30," r2= "1.80," r3= "4.44," r4= "4.94," igr1= "1361," "1362," &end # # 1795 SER HA 1798 LYS+ HG+ 5.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "484," "-1," r1= "1.30," r2= "1.80," r3= "5.13," r4= "5.63," igr2= "527," "528," &end # # 1795 SER HA 1798 LYS+ HG- 5.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "484," "-1," r1= "1.30," r2= "1.80," r3= "5.13," r4= "5.63," igr2= "527," "528," &end # # 1798 LYS+ HA 1798 LYS+ HG+ 3.71 (# ) &rst ixpk= "0," nxpk= "0," iat= "522," "-1," r1= "1.30," r2= "1.80," r3= "3.71," r4= "4.21," igr2= "527," "528," &end # # 1849 HIS QB 1850 LYS+ HG- 5.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.42," r4= "5.92," igr1= "1340," "1341," igr2= "1361," "1362," &end # # 1849 HIS QB 1850 LYS+ HG+ 6.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.14," r4= "6.64," igr1= "1340," "1341," igr2= "1361," "1362," &end # # 1798 LYS+ HA 1801 ARG+ QD 4.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "522," "-1," r1= "1.30," r2= "1.80," r3= "4.51," r4= "5.01," igr2= "591," "592," &end # # 1798 LYS+ HA 1798 LYS+ QE 6.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "522," "-1," r1= "1.30," r2= "1.80," r3= "6.01," r4= "6.51," igr2= "533," "534," &end # # 1798 LYS+ HA 1798 LYS+ HG- 3.71 (# ) &rst ixpk= "0," nxpk= "0," iat= "522," "-1," r1= "1.30," r2= "1.80," r3= "3.71," r4= "4.21," igr2= "527," "528," &end # # 1847 ILE HA 1850 LYS+ HB- 5.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "1297," "-1," r1= "1.30," r2= "1.80," r3= "5.42," r4= "5.92," igr2= "1358," "1359," &end # # 1847 ILE HA 1850 LYS+ HB+ 5.35 (# ) &rst ixpk= "0," nxpk= "0," iat= "1297," "-1," r1= "1.30," r2= "1.80," r3= "5.35," r4= "5.85," igr2= "1358," "1359," &end # # 1850 LYS+ HA 1850 LYS+ HG+ 3.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "1356," "-1," r1= "1.30," r2= "1.80," r3= "3.88," r4= "4.38," igr2= "1361," "1362," &end # # 1847 ILE HA 1850 LYS+ QD 4.36 (# ) &rst ixpk= "0," nxpk= "0," iat= "1297," "-1," r1= "1.30," r2= "1.80," r3= "4.36," r4= "4.86," igr2= "1364," "1365," &end # # 1807 LYS+ HA 1807 LYS+ QD 4.94 (# ) &rst ixpk= "0," nxpk= "0," iat= "687," "-1," r1= "1.30," r2= "1.80," r3= "4.94," r4= "5.44," igr2= "695," "696," &end # # 1850 LYS+ HA 1850 LYS+ QD 5.56 (# ) &rst ixpk= "0," nxpk= "0," iat= "1356," "-1," r1= "1.30," r2= "1.80," r3= "5.56," r4= "6.06," igr2= "1364," "1365," &end # # 1798 LYS+ HA 1798 LYS+ QD 4.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "522," "-1," r1= "1.30," r2= "1.80," r3= "4.53," r4= "5.03," igr2= "530," "531," &end # # 1850 LYS+ HB- 1850 LYS+ QE 5.35 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.35," r4= "5.85," igr1= "1358," "1359," igr2= "1367," "1368," &end # # 1795 SER HA 1798 LYS+ QE 4.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "484," "-1," r1= "1.30," r2= "1.80," r3= "4.46," r4= "4.96," igr2= "533," "534," &end # # 1850 LYS+ QE 1851 LEU HA 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1378," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1367," "1368," &end # # 1850 LYS+ HG+ 1850 LYS+ QE 3.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.97," r4= "4.47," igr1= "1361," "1362," igr2= "1367," "1368," &end # # 1818 PRO HA 1821 LYS+ QE 5.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "854," "-1," r1= "1.30," r2= "1.80," r3= "5.85," r4= "6.35," igr2= "897," "898," &end # # 1818 PRO HA 1821 LYS+ HG- 5.27 (# ) &rst ixpk= "0," nxpk= "0," iat= "854," "-1," r1= "1.30," r2= "1.80," r3= "5.27," r4= "5.77," igr2= "891," "892," &end # # 1768 SER HA 1771 LEU HB- 4.08 (# ) &rst ixpk= "0," nxpk= "0," iat= "61," "-1," r1= "1.30," r2= "1.80," r3= "4.08," r4= "4.58," igr2= "122," "123," &end # # 1768 SER HA 1771 LEU HB+ 4.08 (# ) &rst ixpk= "0," nxpk= "0," iat= "61," "-1," r1= "1.30," r2= "1.80," r3= "4.08," r4= "4.58," igr2= "122," "123," &end # # 1836 GLU- HG+ 1839 CYS- HB- 4.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.72," r4= "5.22," igr1= "1134," "1135," igr2= "1183," "1182," &end # # 1836 GLU- HG- 1839 CYS- HB- 4.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.72," r4= "5.22," igr1= "1134," "1135," igr2= "1183," "1182," &end # # 1836 GLU- HA 1836 GLU- HG- 4.25 (# ) &rst ixpk= "0," nxpk= "0," iat= "1129," "-1," r1= "1.30," r2= "1.80," r3= "4.25," r4= "4.75," igr2= "1134," "1135," &end # # 1836 GLU- HB+ 1839 CYS- HB- 3.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.70," r4= "4.20," igr1= "1131," "1132," igr2= "1183," "1182," &end # # 1836 GLU- HB- 1839 CYS- HB- 3.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.70," r4= "4.20," igr1= "1131," "1132," igr2= "1183," "1182," &end # # 1774 GLN HA 1774 GLN HG- 3.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "169," "-1," r1= "1.30," r2= "1.80," r3= "3.30," r4= "3.80," igr2= "174," "175," &end # # 1770 ARG+ QD 1774 GLN HG+ 6.05 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.05," r4= "6.55," igr1= "104," "105," igr2= "174," "175," &end # # 1773 ILE QG2 1774 GLN HG- 5.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.20," r4= "5.70," igr1= "154," "155," "156," igr2= "174," "175," &end # # 1797 GLN HB+ 1801 ARG+ QD 4.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.99," r4= "5.49," igr1= "507," "508," igr2= "591," "592," &end # # 1796 CYSZ HB+ 1797 GLN HB- 5.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.32," r4= "5.82," igr1= "498," "497," igr2= "507," "508," &end # # 1797 GLN HB- 1801 ARG+ QD 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "507," "508," igr2= "591," "592," &end # # 1796 CYSZ HB+ 1797 GLN HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "505," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "498," "497," &end # # 1797 GLN HA 1801 ARG+ QD 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "505," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "591," "592," &end # # 1797 GLN HA 1800 LYS+ QD 4.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "505," "-1," r1= "1.30," r2= "1.80," r3= "4.18," r4= "4.68," igr2= "569," "570," &end # # 1774 GLN HA 1774 GLN HG+ 4.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "169," "-1," r1= "1.30," r2= "1.80," r3= "4.18," r4= "4.68," igr2= "174," "175," &end # # 1844 CYSZ HB+ 1845 LEU HA 5.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1264," r1= "1.30," r2= "1.80," r3= "5.01," r4= "5.51," igr1= "1257," "1256," &end # # 1804 GLN HA 1804 GLN QG 3.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "639," "-1," r1= "1.30," r2= "1.80," r3= "3.87," r4= "4.37," igr2= "644," "645," &end # # 3051 GLU- HA 3051 GLU- HG- 3.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "1717," "-1," r1= "1.30," r2= "1.80," r3= "3.72," r4= "4.22," igr2= "1722," "1723," &end # # 1804 GLN HA 1807 LYS+ QD 4.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "639," "-1," r1= "1.30," r2= "1.80," r3= "4.70," r4= "5.20," igr2= "695," "696," &end # # 3038 GLN QG 3039 ALA HA 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1543," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1531," "1532," &end # # 3039 ALA QB 3040 MET HA 6.21 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1553," r1= "1.30," r2= "1.80," r3= "6.21," r4= "6.71," igr1= "1545," "1546," "1547," &end # # 3039 ALA QB 3041 ASP- QB 7.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.14," r4= "7.64," igr1= "1545," "1546," "1547," igr2= "1572," "1573," &end # # 3039 ALA QB 3040 MET QE 7.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.93," r4= "8.43," igr1= "1545," "1546," "1547," igr2= "1562," "1563," "1564," &end # # 3057 ASP- HB+ 3058 PRO QD 4.21 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.21," r4= "4.71," igr1= "1824," "1825," igr2= "1833," "1834," &end # # 3057 ASP- HB- 3058 PRO QD 4.21 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.21," r4= "4.71," igr1= "1824," "1825," igr2= "1833," "1834," &end # # 3057 ASP- HA 3058 PRO QD 3.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "1822," "-1," r1= "1.30," r2= "1.80," r3= "3.32," r4= "3.82," igr2= "1833," "1834," &end # # 3053 TRP QB 3053 TRP HE3 3.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1766," r1= "1.30," r2= "1.80," r3= "3.74," r4= "4.24," igr1= "1751," "1752," &end # # 1822 GLN QG 3053 TRP QB 5.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.30," r4= "5.80," igr1= "913," "914," igr2= "1751," "1752," &end # # 1799 MET HA 3054 PHE QE 5.37 (# ) &rst ixpk= "0," nxpk= "0," iat= "544," "-1," r1= "1.30," r2= "1.80," r3= "5.37," r4= "5.87," igr2= "1781," "1785," &end # # 1775 ARG+ HA 1775 ARG+ QB 3.24 (# ) &rst ixpk= "0," nxpk= "0," iat= "186," "-1," r1= "1.30," r2= "1.80," r3= "3.24," r4= "3.74," igr2= "188," "189," &end # # 1767 GLU- HA 1770 ARG+ QD 5.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "46," "-1," r1= "1.30," r2= "1.80," r3= "5.85," r4= "6.35," igr2= "104," "105," &end # # 1770 ARG+ QD 1771 LEU HA 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "120," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "104," "105," &end # # 1852 ARG+ HA 1852 ARG+ HG- 3.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "1397," "-1," r1= "1.30," r2= "1.80," r3= "3.97," r4= "4.47," igr2= "1402," "1403," &end # # 1852 ARG+ HA 1852 ARG+ HG+ 3.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "1397," "-1," r1= "1.30," r2= "1.80," r3= "3.97," r4= "4.47," igr2= "1402," "1403," &end # # 1772 SER HA 1775 ARG+ QG 5.48 (# ) &rst ixpk= "0," nxpk= "0," iat= "139," "-1," r1= "1.30," r2= "1.80," r3= "5.48," r4= "5.98," igr2= "191," "192," &end # # 1770 ARG+ HA 1770 ARG+ QD 4.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "96," "-1," r1= "1.30," r2= "1.80," r3= "4.87," r4= "5.37," igr2= "104," "105," &end # # 1769 ARG+ HA 1773 ILE QD1 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "72," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "161," "162," "163," &end # # 1823 LEU HA 1824 ILE QD1 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "925," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "955," "956," "957," &end # # 1823 LEU HA 1823 LEU HG 4.09 (# ) &rst ixpk= "0," nxpk= "0," iat= "925," "930," r1= "1.30," r2= "1.80," r3= "4.09," r4= "4.59," &end # # 3055 THR HA 3055 THR QG2 4.04 (# ) &rst ixpk= "0," nxpk= "0," iat= "1793," "-1," r1= "1.30," r2= "1.80," r3= "4.04," r4= "4.54," igr2= "1797," "1798," "1799," &end # # 1806 THR HB 1812 LYS+ HE+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "675," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "783," "784," &end # # 1806 THR HB 1820 CYSZ HB+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "675," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "879," "878," &end # # 1806 THR HB 1824 ILE QD1 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "675," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "955," "956," "957," &end # # 1802 VAL HB 1806 THR HB 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "609," "675," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1773 ILE HB 1829 TYR QD 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "152," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "1020," "1029," &end # # 1773 ILE HB 1829 TYR QE 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "152," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "1022," "1027," &end # # 1773 ILE HB 1774 GLN HG- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "152," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "174," "175," &end # # 1773 ILE HB 1774 GLN HB- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "152," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "171," "172," &end # # 3050 ILE HB 3053 TRP QB 5.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "1700," "-1," r1= "1.30," r2= "1.80," r3= "5.19," r4= "5.69," igr2= "1751," "1752," &end # # 3050 ILE HB 3050 ILE QD1 4.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "1700," "-1," r1= "1.30," r2= "1.80," r3= "4.64," r4= "5.14," igr2= "1709," "1710," "1711," &end # # 3050 ILE HG12 3054 PHE QD 6.4 (# ) &rst ixpk= "0," nxpk= "0," iat= "1706," "-1," r1= "1.30," r2= "1.80," r3= "6.40," r4= "6.90," igr2= "1779," "1787," &end # # 3048 ASP- HA 3050 ILE HG12 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1674," "1706," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 3050 ILE HG12 3051 GLU- HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1706," "1717," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 3049 ASP- QB 3050 ILE HG12 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1706," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1688," "1689," &end # # 1773 ILE QG1 3050 ILE HG12 5.94 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1706," r1= "1.30," r2= "1.80," r3= "5.94," r4= "6.44," igr1= "158," "159," &end # # 3050 ILE QG2 3050 ILE HG12 4.89 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1706," r1= "1.30," r2= "1.80," r3= "4.89," r4= "5.39," igr1= "1702," "1703," "1704," &end # # 1773 ILE QG1 3050 ILE HG13 6.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1707," r1= "1.30," r2= "1.80," r3= "6.73," r4= "7.23," igr1= "158," "159," &end # # 1826 LEU HG 3050 ILE HG13 6 (# ) &rst ixpk= "0," nxpk= "0," iat= "978," "1707," r1= "1.30," r2= "1.80," r3= "6.00," r4= "6.50," &end # # 3050 ILE HG13 3053 TRP QB 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "1707," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "1751," "1752," &end # # 3050 ILE QG2 3053 TRP HE3 6.05 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1766," r1= "1.30," r2= "1.80," r3= "6.05," r4= "6.55," igr1= "1702," "1703," "1704," &end # # 1826 LEU HA 3050 ILE QG2 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "973," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "1702," "1703," "1704," &end # # 1777 ILE HB 1829 TYR QD 5.56 (# ) &rst ixpk= "0," nxpk= "0," iat= "223," "-1," r1= "1.30," r2= "1.80," r3= "5.56," r4= "6.06," igr2= "1020," "1029," &end # # 1777 ILE HB 1829 TYR QE 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "223," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "1022," "1027," &end # # 3041 ASP- HA 3041 ASP- QB 2.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "1570," "-1," r1= "1.30," r2= "1.80," r3= "2.92," r4= "3.42," igr2= "1572," "1573," &end # # 1829 TYR QE 3041 ASP- QB 6.06 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.06," r4= "6.56," igr1= "1022," "1027," igr2= "1572," "1573," &end # # 1829 TYR QD 3041 ASP- QB 6.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.93," r4= "7.43," igr1= "1020," "1029," igr2= "1572," "1573," &end # # 3049 ASP- QB 3052 GLN QB 6.27 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.27," r4= "6.77," igr1= "1688," "1689," igr2= "1734," "1735," &end # # 3049 ASP- QB 3050 ILE QG2 6.15 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.15," r4= "6.65," igr1= "1688," "1689," igr2= "1702," "1703," "1704," &end # # 3059 GLY HA+ 3060 PRO HD+ 3.62 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.62," r4= "4.12," igr1= "1848," "1849," igr2= "1854," "1855," &end # # 3059 GLY HA+ 3060 PRO QG 5.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.07," r4= "5.57," igr1= "1848," "1849," igr2= "1857," "1858," &end # # 3059 GLY HA- 3060 PRO QG 5.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.07," r4= "5.57," igr1= "1848," "1849," igr2= "1857," "1858," &end # # 2005 GLY HA- 3037 SER HA 4.94 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1515," r1= "1.30," r2= "1.80," r3= "4.94," r4= "5.44," igr1= "1508," "1509," &end # # 2005 GLY HA+ 3037 SER HA 4.94 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1515," r1= "1.30," r2= "1.80," r3= "4.94," r4= "5.44," igr1= "1508," "1509," &end # # 1855 GLN QG 2001 GLY HA+ 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1460," "1461," igr2= "1472," "1473," &end # # 1855 GLN QG 2001 GLY HA- 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1460," "1461," igr2= "1472," "1473," &end # # 3059 GLY HA- 3060 PRO HD+ 3.62 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.62," r4= "4.12," igr1= "1848," "1849," igr2= "1854," "1855," &end # # 3059 GLY HA- 3060 PRO HD- 3.62 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.62," r4= "4.12," igr1= "1848," "1849," igr2= "1854," "1855," &end # # 3059 GLY HA+ 3060 PRO HD- 3.62 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.62," r4= "4.12," igr1= "1848," "1849," igr2= "1854," "1855," &end # # 3046 SER HA 3047 PRO HD+ 3.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "1649," "-1," r1= "1.30," r2= "1.80," r3= "3.52," r4= "4.02," igr2= "1659," "1660," &end # # 1773 ILE QD1 3047 PRO QG 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "161," "162," "163," igr2= "1662," "1663," &end # # 3047 PRO QG 3050 ILE QG2 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "1662," "1663," igr2= "1702," "1703," "1704," &end # # 3047 PRO QG 3050 ILE QD1 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "1662," "1663," igr2= "1709," "1710," "1711," &end # # 3047 PRO HA 3050 ILE QG2 4.49 (# ) &rst ixpk= "0," nxpk= "0," iat= "1668," "-1," r1= "1.30," r2= "1.80," r3= "4.49," r4= "4.99," igr2= "1702," "1703," "1704," &end # # 3047 PRO HA 3050 ILE HG12 5.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "1668," "1706," r1= "1.30," r2= "1.80," r3= "5.46," r4= "5.96," &end # # 3047 PRO HA 3050 ILE HG13 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1668," "1707," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 3046 SER HA 3047 PRO HB- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1649," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "1665," "1666," &end # # 3046 SER HA 3047 PRO HB+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1649," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "1665," "1666," &end # # 3046 SER HA 3047 PRO HD- 3.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "1649," "-1," r1= "1.30," r2= "1.80," r3= "3.52," r4= "4.02," igr2= "1659," "1660," &end # # 3046 SER HA 3049 ASP- QB 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1649," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "1688," "1689," &end # # 3046 SER HA 3047 PRO QG 4.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "1649," "-1," r1= "1.30," r2= "1.80," r3= "4.60," r4= "5.10," igr2= "1662," "1663," &end # # 3045 LEU QQD 3046 SER HA 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1649," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "1637," "1638," "1639," "1641," "1642," "1643," &end # # 1773 ILE QD1 3046 SER HA 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1649," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "161," "162," "163," &end # # 3046 SER HA 3050 ILE QG2 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "1649," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "1702," "1703," "1704," &end # # 3046 SER HB- 3049 ASP- QB 5.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.01," r4= "5.51," igr1= "1651," "1652," igr2= "1688," "1689," &end # # 3046 SER HB+ 3049 ASP- QB 5.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.01," r4= "5.51," igr1= "1651," "1652," igr2= "1688," "1689," &end # # 3046 SER HB+ 3050 ILE QG2 6.58 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.58," r4= "7.08," igr1= "1651," "1652," igr2= "1702," "1703," "1704," &end # # 3046 SER HB- 3050 ILE QG2 6.58 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.58," r4= "7.08," igr1= "1651," "1652," igr2= "1702," "1703," "1704," &end # # 3040 MET HA 3040 MET QE 5.25 (# ) &rst ixpk= "0," nxpk= "0," iat= "1553," "-1," r1= "1.30," r2= "1.80," r3= "5.25," r4= "5.75," igr2= "1562," "1563," "1564," &end # # 1829 TYR HA 3044 MET QE 5.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "1014," "-1," r1= "1.30," r2= "1.80," r3= "5.18," r4= "5.68," igr2= "1622," "1623," "1624," &end # # 1829 TYR HB- 3044 MET QE 5.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.07," r4= "5.57," igr1= "1016," "1017," igr2= "1622," "1623," "1624," &end # # 1773 ILE QD1 3044 MET QE 6.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.42," r4= "6.92," igr1= "161," "162," "163," igr2= "1622," "1623," "1624," &end # # 3044 MET HG+ 3045 LEU HG 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1635," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "1618," "1619," &end # # 3044 MET HG- 3045 LEU HG 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1635," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "1618," "1619," &end # # 3039 ALA QB 3040 MET HG+ 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1545," "1546," "1547," igr2= "1558," "1559," &end # # 3039 ALA QB 3040 MET HG- 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1545," "1546," "1547," igr2= "1558," "1559," &end # # 3051 GLU- HA 3051 GLU- HG+ 3.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "1717," "-1," r1= "1.30," r2= "1.80," r3= "3.72," r4= "4.22," igr2= "1722," "1723," &end # # 3050 ILE QD1 3051 GLU- HG+ 5.57 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.57," r4= "6.07," igr1= "1709," "1710," "1711," igr2= "1722," "1723," &end # # 1767 GLU- HA 1767 GLU- QG 3.68 (# ) &rst ixpk= "0," nxpk= "0," iat= "46," "-1," r1= "1.30," r2= "1.80," r3= "3.68," r4= "4.18," igr2= "51," "52," &end # # 1767 GLU- QG 1768 SER QB 6.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.93," r4= "7.43," igr1= "51," "52," igr2= "63," "64," &end # # 1767 GLU- QG 1770 ARG+ QD 6.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.93," r4= "7.43," igr1= "51," "52," igr2= "104," "105," &end # # 1767 GLU- HB+ 1767 GLU- QG 3.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.34," r4= "3.84," igr1= "48," "49," igr2= "51," "52," &end # # 1767 GLU- QG 1771 LEU HG 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "125," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "51," "52," &end # # 1767 GLU- HB- 1767 GLU- QG 3.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.34," r4= "3.84," igr1= "48," "49," igr2= "51," "52," &end # # 3053 TRP HA 3053 TRP HE3 5.45 (# ) &rst ixpk= "0," nxpk= "0," iat= "1749," "1766," r1= "1.30," r2= "1.80," r3= "5.45," r4= "5.95," &end # # 1822 GLN QG 3053 TRP HE3 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1766," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "913," "914," &end # # 1825 ALA HA 3053 TRP HZ3 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "963," "1764," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1826 LEU HA 3053 TRP HZ3 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "973," "1764," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 3050 ILE QG2 3053 TRP HZ3 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1764," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1702," "1703," "1704," &end # # 3044 MET QE 3053 TRP HH2 5.1 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1762," r1= "1.30," r2= "1.80," r3= "5.10," r4= "5.60," igr1= "1622," "1623," "1624," &end # # 3045 LEU HG 3053 TRP HH2 4.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "1635," "1762," r1= "1.30," r2= "1.80," r3= "4.51," r4= "5.01," &end # # 3050 ILE QG2 3053 TRP HH2 5.9 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1762," r1= "1.30," r2= "1.80," r3= "5.90," r4= "6.40," igr1= "1702," "1703," "1704," &end # # 3053 TRP HA 3053 TRP HD1 3.45 (# ) &rst ixpk= "0," nxpk= "0," iat= "1749," "1755," r1= "1.30," r2= "1.80," r3= "3.45," r4= "3.95," &end # # 3049 ASP- QB 3053 TRP HD1 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1755," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1688," "1689," &end # # 1822 GLN QG 3053 TRP HD1 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1755," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "913," "914," &end # # 3052 GLN QB 3053 TRP HD1 5.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1755," r1= "1.30," r2= "1.80," r3= "5.92," r4= "6.42," igr1= "1734," "1735," &end # # 1799 MET QE 3054 PHE HZ 5.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1783," r1= "1.30," r2= "1.80," r3= "5.20," r4= "5.70," igr1= "553," "554," "555," &end # # 1826 LEU HG 3054 PHE HZ 4.76 (# ) &rst ixpk= "0," nxpk= "0," iat= "978," "1783," r1= "1.30," r2= "1.80," r3= "4.76," r4= "5.26," &end # # 3050 ILE QG2 3054 PHE HZ 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1783," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1702," "1703," "1704," &end # # 3050 ILE QD1 3054 PHE HZ 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1783," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1709," "1710," "1711," &end # # 3053 TRP QB 3054 PHE QE 6.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.93," r4= "7.43," igr1= "1751," "1752," igr2= "1781," "1785," &end # # 1822 GLN QB 3054 PHE QE 5.56 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.56," r4= "6.06," igr1= "910," "911," igr2= "1781," "1785," &end # # 1826 LEU HG 3054 PHE QE 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "978," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "1781," "1785," &end # # 1802 VAL QG1 3054 PHE QE 6.4 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.40," r4= "6.90," igr1= "611," "612," "613," igr2= "1781," "1785," &end # # 1802 VAL QG2 3054 PHE QE 6.08 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.08," r4= "6.58," igr1= "615," "616," "617," igr2= "1781," "1785," &end # # 3038 GLN HA 3039 ALA QB 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "1526," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "1545," "1546," "1547," &end # # 3038 GLN HA 3038 GLN QG 4.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "1526," "-1," r1= "1.30," r2= "1.80," r3= "4.66," r4= "5.16," igr2= "1531," "1532," &end # # 1855 GLN HA 1855 GLN QG 3.78 (# ) &rst ixpk= "0," nxpk= "0," iat= "1455," "-1," r1= "1.30," r2= "1.80," r3= "3.78," r4= "4.28," igr2= "1460," "1461," &end # # 1853 GLN HA 1853 GLN QG 4.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "1421," "-1," r1= "1.30," r2= "1.80," r3= "4.33," r4= "4.83," igr2= "1426," "1427," &end # # 1854 GLN HA 1854 GLN QG 4.59 (# ) &rst ixpk= "0," nxpk= "0," iat= "1438," "-1," r1= "1.30," r2= "1.80," r3= "4.59," r4= "5.09," igr2= "1443," "1444," &end # # 1838 LYS+ HA 1845 LEU HB- 5.45 (# ) &rst ixpk= "0," nxpk= "0," iat= "1158," "-1," r1= "1.30," r2= "1.80," r3= "5.45," r4= "5.95," igr2= "1266," "1267," &end # # 1845 LEU HB- 1846 ASN HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1283," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "1266," "1267," &end # # 1845 LEU HA 1845 LEU HB- 2.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "1264," "-1," r1= "1.30," r2= "1.80," r3= "2.96," r4= "3.46," igr2= "1266," "1267," &end # # 1845 LEU HB- 1848 LYS+ HE+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "1266," "1267," igr2= "1327," "1328," &end # # 1844 CYSZ HB- 1845 LEU HB- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "1257," "1256," igr2= "1266," "1267," &end # # 1845 LEU HB- 1848 LYS+ HE- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "1266," "1267," igr2= "1327," "1328," &end # # 1844 CYSZ HB+ 1845 LEU HB- 5.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.19," r4= "5.69," igr1= "1257," "1256," igr2= "1266," "1267," &end # # 1845 LEU HA 1845 LEU HG 3.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "1264," "1269," r1= "1.30," r2= "1.80," r3= "3.85," r4= "4.35," &end # # 1826 LEU HB- 1826 LEU QQD 4.58 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.58," r4= "5.08," igr1= "975," "976," igr2= "980," "981," "982," "984," "985," "986," &end # # 3044 MET HG+ 3045 LEU HB+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "1618," "1619," igr2= "1632," "1633," &end # # 3045 LEU HB+ 3049 ASP- QB 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1632," "1633," igr2= "1688," "1689," &end # # 3044 MET QE 3045 LEU HB+ 5.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.85," r4= "6.35," igr1= "1622," "1623," "1624," igr2= "1632," "1633," &end # # 3045 LEU HB+ 3045 LEU QQD 4.36 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.36," r4= "4.86," igr1= "1632," "1633," igr2= "1637," "1638," "1639," "1641," "1642," "1643," &end # # 3045 LEU HB+ 3045 LEU QQD 4.36 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.36," r4= "4.86," igr1= "1632," "1633," igr2= "1637," "1638," "1639," "1641," "1642," "1643," &end # # 1773 ILE QD1 3045 LEU HB+ 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "161," "162," "163," igr2= "1632," "1633," &end # # 3045 LEU HB+ 3050 ILE QG2 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1632," "1633," igr2= "1702," "1703," "1704," &end # # 3045 LEU HB- 3050 ILE QG2 4.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.79," r4= "5.29," igr1= "1632," "1633," igr2= "1702," "1703," "1704," &end # # 3044 MET QE 3045 LEU HB- 5.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.55," r4= "6.05," igr1= "1622," "1623," "1624," igr2= "1632," "1633," &end # # 3045 LEU HA 3049 ASP- QB 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "1630," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "1688," "1689," &end # # 3044 MET QE 3045 LEU HA 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1630," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1622," "1623," "1624," &end # # 3041 ASP- QB 3043 LEU HA 5.67 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1594," r1= "1.30," r2= "1.80," r3= "5.67," r4= "6.17," igr1= "1572," "1573," &end # # 1773 ILE QD1 3043 LEU HA 5.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1594," r1= "1.30," r2= "1.80," r3= "5.52," r4= "6.02," igr1= "161," "162," "163," &end # # 3045 LEU QQD 3046 SER HB+ 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1637," "1638," "1639," "1641," "1642," "1643," igr2= "1651," "1652," &end # # 3045 LEU QQD 3046 SER HB- 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1637," "1638," "1639," "1641," "1642," "1643," igr2= "1651," "1652," &end # # 3044 MET QE 3045 LEU QQD 5.54 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.54," r4= "6.04," igr1= "1622," "1623," "1624," igr2= "1637," "1638," "1639," "1641," "1642," "1643," &end # # 3045 LEU QQD 3053 TRP HZ2 6.02 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1760," r1= "1.30," r2= "1.80," r3= "6.02," r4= "6.52," igr1= "1637," "1638," "1639," "1641," "1642," "1643," &end # # 3045 LEU QQD 3053 TRP HH2 5.03 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1762," r1= "1.30," r2= "1.80," r3= "5.03," r4= "5.53," igr1= "1637," "1638," "1639," "1641," "1642," "1643," &end # # 1780 LEU QQD 1781 VAL HB 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "289," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "275," "276," "277," "279," "280," "281," &end # # 3044 MET QE 3045 LEU QQD 5.54 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.54," r4= "6.04," igr1= "1622," "1623," "1624," igr2= "1637," "1638," "1639," "1641," "1642," "1643," &end # # 3045 LEU QQD 3053 TRP HH2 5.03 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1762," r1= "1.30," r2= "1.80," r3= "5.03," r4= "5.53," igr1= "1637," "1638," "1639," "1641," "1642," "1643," &end # # 1829 TYR QE 3045 LEU QQD 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "1022," "1027," igr2= "1637," "1638," "1639," "1641," "1642," "1643," &end # # 1826 LEU QQD 3053 TRP HE3 6.49 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1766," r1= "1.30," r2= "1.80," r3= "6.49," r4= "6.99," igr1= "980," "981," "982," "984," "985," "986," &end # # 1826 LEU HA 1826 LEU HG 3.78 (# ) &rst ixpk= "0," nxpk= "0," iat= "973," "978," r1= "1.30," r2= "1.80," r3= "3.78," r4= "4.28," &end # # 3043 LEU HG 3044 MET HA 5.02 (# ) &rst ixpk= "0," nxpk= "0," iat= "1599," "1613," r1= "1.30," r2= "1.80," r3= "5.02," r4= "5.52," &end # # 1838 LYS+ HA 1845 LEU HG 5.09 (# ) &rst ixpk= "0," nxpk= "0," iat= "1158," "1269," r1= "1.30," r2= "1.80," r3= "5.09," r4= "5.59," &end # # 1770 ARG+ HA 1773 ILE QG2 4.78 (# ) &rst ixpk= "0," nxpk= "0," iat= "96," "-1," r1= "1.30," r2= "1.80," r3= "4.78," r4= "5.28," igr2= "154," "155," "156," &end # # 1770 ARG+ HA 1773 ILE QD1 5.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "96," "-1," r1= "1.30," r2= "1.80," r3= "5.30," r4= "5.80," igr2= "161," "162," "163," &end # # 3050 ILE QD1 3051 GLU- HA 5.67 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1717," r1= "1.30," r2= "1.80," r3= "5.67," r4= "6.17," igr1= "1709," "1710," "1711," &end # # 1782 HIS HA 1785 GLN HG- 4.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "303," "-1," r1= "1.30," r2= "1.80," r3= "4.19," r4= "4.69," igr2= "346," "347," &end # # 1822 GLN HA 1824 ILE QG2 6.24 (# ) &rst ixpk= "0," nxpk= "0," iat= "908," "-1," r1= "1.30," r2= "1.80," r3= "6.24," r4= "6.74," igr2= "948," "949," "950," &end # # 1765 PRO HB+ 1768 SER QB 5.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.96," r4= "6.46," igr1= "20," "21," igr2= "63," "64," &end # # 1765 PRO HB- 1768 SER QB 5.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.96," r4= "6.46," igr1= "20," "21," igr2= "63," "64," &end # # 1768 SER QB 1769 ARG+ QB 6.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.93," r4= "7.43," igr1= "63," "64," igr2= "74," "75," &end # # 1772 SER HB+ 1775 ARG+ QD 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "141," "142," igr2= "194," "195," &end # # 1772 SER HB+ 3050 ILE QD1 4.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.88," r4= "5.38," igr1= "141," "142," igr2= "1709," "1710," "1711," &end # # 1772 SER HB- 1775 ARG+ QD 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "141," "142," igr2= "194," "195," &end # # 1829 TYR QE 3041 ASP- HA 6.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1570," r1= "1.30," r2= "1.80," r3= "6.16," r4= "6.66," igr1= "1022," "1027," &end # # 1829 TYR QD 3041 ASP- HA 6.29 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1570," r1= "1.30," r2= "1.80," r3= "6.29," r4= "6.79," igr1= "1020," "1029," &end # # 1764 SER HA 1765 PRO HB- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "4," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "20," "21," &end # # 1764 SER HA 1765 PRO HB+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "4," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "20," "21," &end # # 1778 GLN HA 1778 GLN HG- 4.08 (# ) &rst ixpk= "0," nxpk= "0," iat= "240," "-1," r1= "1.30," r2= "1.80," r3= "4.08," r4= "4.58," igr2= "245," "246," &end # # 1822 GLN QB 3053 TRP HE3 4.71 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1766," r1= "1.30," r2= "1.80," r3= "4.71," r4= "5.21," igr1= "910," "911," &end # # 1822 GLN QB 3053 TRP HZ3 5.28 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1764," r1= "1.30," r2= "1.80," r3= "5.28," r4= "5.78," igr1= "910," "911," &end # # 1831 ALA HA 1844 CYSZ HB+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1052," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "1257," "1256," &end # # 1782 HIS HE1 1783 ALA HA 6.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "311," "320," r1= "1.30," r2= "1.80," r3= "6.50," r4= "7.00," &end # # 3048 ASP- HA 3050 ILE QG2 5.94 (# ) &rst ixpk= "0," nxpk= "0," iat= "1674," "-1," r1= "1.30," r2= "1.80," r3= "5.94," r4= "6.44," igr2= "1702," "1703," "1704," &end # # 3048 ASP- HA 3050 ILE QD1 6.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "1674," "-1," r1= "1.30," r2= "1.80," r3= "6.38," r4= "6.88," igr2= "1709," "1710," "1711," &end # # 3044 MET HA 3045 LEU HB+ 5.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "1613," "-1," r1= "1.30," r2= "1.80," r3= "5.83," r4= "6.33," igr2= "1632," "1633," &end # # 1836 GLU- HA 1836 GLU- HG+ 4.25 (# ) &rst ixpk= "0," nxpk= "0," iat= "1129," "-1," r1= "1.30," r2= "1.80," r3= "4.25," r4= "4.75," igr2= "1134," "1135," &end # # 1823 LEU HA 3054 PHE QE 4.75 (# ) &rst ixpk= "0," nxpk= "0," iat= "925," "-1," r1= "1.30," r2= "1.80," r3= "4.75," r4= "5.25," igr2= "1781," "1785," &end # # 1823 LEU HA 3054 PHE HZ 4.8 (# ) &rst ixpk= "0," nxpk= "0," iat= "925," "1783," r1= "1.30," r2= "1.80," r3= "4.80," r4= "5.30," &end # # 1807 LYS+ HA 1843 PHE QE 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "687," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "1242," "1246," &end # # 1829 TYR QE 1830 HIS HA 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1035," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1022," "1027," &end # # 1774 GLN HA 1829 TYR QE 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "169," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "1022," "1027," &end # # 1830 HIS HA 1830 HIS HE1 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1035," "1043," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1782 HIS HA 1782 HIS HE1 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "303," "311," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1821 LYS+ HA 1843 PHE QE 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "886," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "1242," "1246," &end # # 1782 HIS HD2 1786 CYS- HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "314," "358," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1782 HIS HE1 1786 CYS- HA 4.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "311," "358," r1= "1.30," r2= "1.80," r3= "4.66," r4= "5.16," &end # # 1776 CYS HB+ 1777 ILE HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "221," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "212," "213," &end # # 1777 ILE HA 1830 HIS HB- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "221," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "1037," "1038," &end # # 1776 CYS HB- 1777 ILE HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "221," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "212," "213," &end # # 1773 ILE QG2 1777 ILE HA 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "221," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "154," "155," "156," &end # # 1777 ILE HA 1841 VAL QG2 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "221," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "1212," "1213," "1214," &end # # 1777 ILE HA 1778 GLN HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "221," "240," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1777 ILE HA 1780 LEU HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "221," "268," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1777 ILE HA 1827 CYS HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "221," "992," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1813 THR HA 1824 ILE QD1 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "794," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "955," "956," "957," &end # # 1776 CYS HA 3050 ILE QD1 6.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "210," "-1," r1= "1.30," r2= "1.80," r3= "6.18," r4= "6.68," igr2= "1709," "1710," "1711," &end # # 1800 LYS+ HA 1804 GLN QG 5.78 (# ) &rst ixpk= "0," nxpk= "0," iat= "561," "-1," r1= "1.30," r2= "1.80," r3= "5.78," r4= "6.28," igr2= "644," "645," &end # # 1783 ALA QB 1800 LYS+ HA 4.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "561," r1= "1.30," r2= "1.80," r3= "4.86," r4= "5.36," igr1= "322," "323," "324," &end # # 1832 LYS+ HA 1832 LYS+ QE 5.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "1062," "-1," r1= "1.30," r2= "1.80," r3= "5.96," r4= "6.46," igr2= "1073," "1074," &end # # 1783 ALA QB 1796 CYSZ HA 3.67 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "495," r1= "1.30," r2= "1.80," r3= "3.67," r4= "4.17," igr1= "322," "323," "324," &end # # 1803 VAL QG2 1806 THR QG2 6.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.97," r4= "7.47," igr1= "631," "632," "633," igr2= "677," "678," "679," &end # # 1780 LEU QQD 1841 VAL QG2 5.91 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.91," r4= "6.41," igr1= "275," "276," "277," "279," "280," "281," igr2= "1212," "1213," "1214," &end # # 1805 HIS HE1 1819 VAL QG2 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "664," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "868," "869," "870," &end # # 1819 VAL QG1 1820 CYSZ HB+ 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "864," "865," "866," igr2= "879," "878," &end # # 1777 ILE QG2 1830 HIS HE1 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1043," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "225," "226," "227," &end # # 1849 HIS HA 1852 ARG+ QD 5.06 (# ) &rst ixpk= "0," nxpk= "0," iat= "1338," "-1," r1= "1.30," r2= "1.80," r3= "5.06," r4= "5.56," igr2= "1405," "1406," &end # # 1770 ARG+ QB 1770 ARG+ QD 4.35 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.35," r4= "4.85," igr1= "98," "99," igr2= "104," "105," &end # # 1775 ARG+ QG 1775 ARG+ QD 3.36 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.36," r4= "3.86," igr1= "191," "192," igr2= "194," "195," &end # # 1770 ARG+ QD 1829 TYR QE 6.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.93," r4= "7.43," igr1= "104," "105," igr2= "1022," "1027," &end # # 1812 LYS+ HE+ 1843 PHE QE 5.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.34," r4= "5.84," igr1= "783," "784," igr2= "1242," "1246," &end # # 1812 LYS+ HE- 1843 PHE QE 5.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.34," r4= "5.84," igr1= "783," "784," igr2= "1242," "1246," &end # # 1806 THR HB 1812 LYS+ HE- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "675," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "783," "784," &end # # 1812 LYS+ HE- 1824 ILE QD1 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "783," "784," igr2= "955," "956," "957," &end # # 1812 LYS+ HE+ 1824 ILE QD1 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "783," "784," igr2= "955," "956," "957," &end # # 1798 LYS+ QE 3054 PHE QD 5.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.43," r4= "5.93," igr1= "533," "534," igr2= "1779," "1787," &end # # 1838 LYS+ HA 1838 LYS+ QE 4.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "1158," "-1," r1= "1.30," r2= "1.80," r3= "4.85," r4= "5.35," igr2= "1169," "1170," &end # # 3044 MET HG- 3045 LEU HB+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "1618," "1619," igr2= "1632," "1633," &end # # 1823 LEU HB- 1823 LEU QQD 4.04 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.04," r4= "4.54," igr1= "927," "928," igr2= "932," "933," "934," "936," "937," "938," &end # # 1782 HIS HE1 1793 LEU HB- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "311," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "453," "454," &end # # 1782 HIS HA 1785 GLN HG+ 4.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "303," "-1," r1= "1.30," r2= "1.80," r3= "4.19," r4= "4.69," igr2= "346," "347," &end # # 1783 ALA QB 1799 MET HG+ 5.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.51," r4= "6.01," igr1= "322," "323," "324," igr2= "549," "550," &end # # 1851 LEU QQD 1854 GLN QG 7.21 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.21," r4= "7.71," igr1= "1385," "1386," "1387," "1389," "1390," "1391," igr2= "1443," "1444," &end # # 1813 THR HA 1821 LYS+ HB- 5 (# ) &rst ixpk= "0," nxpk= "0," iat= "794," "-1," r1= "1.30," r2= "1.80," r3= "5.00," r4= "5.50," igr2= "888," "889," &end # # 1780 LEU HA 1799 MET HB- 3.57 (# ) &rst ixpk= "0," nxpk= "0," iat= "268," "-1," r1= "1.30," r2= "1.80," r3= "3.57," r4= "4.07," igr2= "546," "547," &end # # 1798 LYS+ QD 3054 PHE QD 5.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.92," r4= "6.42," igr1= "530," "531," igr2= "1779," "1787," &end # # 1843 PHE QD 1847 ILE HG13 5.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1306," r1= "1.30," r2= "1.80," r3= "5.52," r4= "6.02," igr1= "1240," "1248," &end # # 1832 LYS+ QD 1833 HIS HD2 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1096," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1070," "1071," &end # # 1832 LYS+ QD 1833 HIS HE1 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1092," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1070," "1071," &end # # 1776 CYS HB- 1826 LEU QQD 4.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.70," r4= "5.20," igr1= "212," "213," igr2= "980," "981," "982," "984," "985," "986," &end # # 1776 CYS HB- 3054 PHE QE 5.71 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.71," r4= "6.21," igr1= "212," "213," igr2= "1781," "1785," &end # # 1776 CYS HB+ 3054 PHE QE 5.71 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.71," r4= "6.21," igr1= "212," "213," igr2= "1781," "1785," &end # # 1824 ILE HG13 1828 CYS HB- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "953," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "1005," "1006," &end # # 1824 ILE HG13 1828 CYS HB+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "953," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "1005," "1006," &end # # 1798 LYS+ HG- 3054 PHE QD 6.29 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.29," r4= "6.79," igr1= "527," "528," igr2= "1779," "1787," &end # # 1798 LYS+ HG+ 3054 PHE QD 6.29 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.29," r4= "6.79," igr1= "527," "528," igr2= "1779," "1787," &end # # 1823 LEU HG 1824 ILE HA 4.59 (# ) &rst ixpk= "0," nxpk= "0," iat= "930," "944," r1= "1.30," r2= "1.80," r3= "4.59," r4= "5.09," &end # # 1800 LYS+ HA 1800 LYS+ HG+ 3.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "561," "-1," r1= "1.30," r2= "1.80," r3= "3.32," r4= "3.82," igr2= "566," "567," &end # # 1793 LEU HB+ 1794 PRO HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "478," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "453," "454," &end # # 3055 THR QG2 3056 GLU- HA 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1807," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1797," "1798," "1799," &end # # 1772 SER HA 1774 GLN QB 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "139," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "171," "172," &end # # 1772 SER HA 1775 ARG+ QD 6.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "139," "-1," r1= "1.30," r2= "1.80," r3= "6.16," r4= "6.66," igr2= "194," "195," &end # # 3045 LEU HA 3053 TRP HZ2 5.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "1630," "1760," r1= "1.30," r2= "1.80," r3= "5.43," r4= "5.93," &end # # 1822 GLN HA 3053 TRP HZ2 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "908," "1760," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 3049 ASP- QB 3053 TRP HZ2 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1760," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1688," "1689," &end # # 1822 GLN QB 3053 TRP HZ2 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1760," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "910," "911," &end # # 3044 MET QE 3053 TRP HZ2 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1760," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1622," "1623," "1624," &end # # 1825 ALA QB 3053 TRP HZ2 5.21 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1760," r1= "1.30," r2= "1.80," r3= "5.21," r4= "5.71," igr1= "965," "966," "967," &end # # 3045 LEU HG 3053 TRP HZ2 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1635," "1760," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 3045 LEU QQD 3053 TRP HZ2 6.02 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1760," r1= "1.30," r2= "1.80," r3= "6.02," r4= "6.52," igr1= "1637," "1638," "1639," "1641," "1642," "1643," &end # # 3050 ILE QG2 3053 TRP HZ2 5.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1760," r1= "1.30," r2= "1.80," r3= "5.74," r4= "6.24," igr1= "1702," "1703," "1704," &end # # 1764 SER HA 1764 SER QB 2.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "4," "-1," r1= "1.30," r2= "1.80," r3= "2.93," r4= "3.43," igr2= "6," "7," &end # # 1764 SER HA 1765 PRO QB 5.31 (# ) &rst ixpk= "0," nxpk= "0," iat= "4," "-1," r1= "1.30," r2= "1.80," r3= "5.31," r4= "5.81," igr2= "20," "21," &end # # 1764 SER HA 1765 PRO QG 4.71 (# ) &rst ixpk= "0," nxpk= "0," iat= "4," "-1," r1= "1.30," r2= "1.80," r3= "4.71," r4= "5.21," igr2= "17," "18," &end # # 1764 SER QB 1765 PRO HD- 3.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.74," r4= "4.24," igr1= "6," "7," igr2= "14," "15," &end # # 1764 SER QB 1765 PRO HD+ 4.89 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.89," r4= "5.39," igr1= "6," "7," igr2= "14," "15," &end # # 1764 SER QB 1766 GLN H 4.89 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "27," r1= "1.30," r2= "1.80," r3= "4.89," r4= "5.39," igr1= "6," "7," &end # # 1764 SER QB 1766 GLN HB+ 3.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.87," r4= "4.37," igr1= "6," "7," igr2= "31," "32," &end # # 1764 SER QB 1766 GLN QG 6.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.53," r4= "7.03," igr1= "6," "7," igr2= "34," "35," &end # # 1764 SER QB 1767 GLU- H 5.78 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "44," r1= "1.30," r2= "1.80," r3= "5.78," r4= "6.28," igr1= "6," "7," &end # # 1764 SER QB 1768 SER H 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "59," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "6," "7," &end # # 1765 PRO QB 1766 GLN H 4.69 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "27," r1= "1.30," r2= "1.80," r3= "4.69," r4= "5.19," igr1= "20," "21," &end # # 1765 PRO QB 1768 SER QB 5.77 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.77," r4= "6.27," igr1= "20," "21," igr2= "63," "64," &end # # 1765 PRO QB 1769 ARG+ H 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "70," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "20," "21," &end # # 1765 PRO QG 1766 GLN H 5.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "27," r1= "1.30," r2= "1.80," r3= "5.19," r4= "5.69," igr1= "17," "18," &end # # 1766 GLN H 1766 GLN QG 5.78 (# ) &rst ixpk= "0," nxpk= "0," iat= "27," "-1," r1= "1.30," r2= "1.80," r3= "5.78," r4= "6.28," igr2= "34," "35," &end # # 1766 GLN H 1766 GLN QE2 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "27," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr2= "39," "40," &end # # 1766 GLN HA 1766 GLN QG 4.11 (# ) &rst ixpk= "0," nxpk= "0," iat= "29," "-1," r1= "1.30," r2= "1.80," r3= "4.11," r4= "4.61," igr2= "34," "35," &end # # 1766 GLN QE2 1767 GLU- H 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "44," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "39," "40," &end # # 1767 GLU- H 1767 GLU- QB 3.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "44," "-1," r1= "1.30," r2= "1.80," r3= "3.97," r4= "4.47," igr2= "48," "49," &end # # 1767 GLU- HA 1771 LEU QQD 6.48 (# ) &rst ixpk= "0," nxpk= "0," iat= "46," "-1," r1= "1.30," r2= "1.80," r3= "6.48," r4= "6.98," igr2= "127," "128," "129," "131," "132," "133," &end # # 1767 GLU- QB 1768 SER H 3.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "59," r1= "1.30," r2= "1.80," r3= "3.61," r4= "4.11," igr1= "48," "49," &end # # 1767 GLU- QB 1768 SER HA 4.62 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "61," r1= "1.30," r2= "1.80," r3= "4.62," r4= "5.12," igr1= "48," "49," &end # # 1767 GLU- QB 1768 SER QB 5.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.20," r4= "5.70," igr1= "48," "49," igr2= "63," "64," &end # # 1767 GLU- QB 1771 LEU QQD 5.76 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.76," r4= "6.26," igr1= "48," "49," igr2= "127," "128," "129," "131," "132," "133," &end # # 1767 GLU- QG 1770 ARG+ QG 6.35 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.35," r4= "6.85," igr1= "51," "52," igr2= "101," "102," &end # # 1767 GLU- QG 1771 LEU QQD 5.8 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.80," r4= "6.30," igr1= "51," "52," igr2= "127," "128," "129," "131," "132," "133," &end # # 1768 SER HA 1771 LEU QB 3.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "61," "-1," r1= "1.30," r2= "1.80," r3= "3.96," r4= "4.46," igr2= "122," "123," &end # # 1768 SER HA 1771 LEU QQD 5.06 (# ) &rst ixpk= "0," nxpk= "0," iat= "61," "-1," r1= "1.30," r2= "1.80," r3= "5.06," r4= "5.56," igr2= "127," "128," "129," "131," "132," "133," &end # # 1768 SER QB 1771 LEU QB 6.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.70," r4= "7.20," igr1= "63," "64," igr2= "122," "123," &end # # 1768 SER QB 1771 LEU QQD 6.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.20," r4= "6.70," igr1= "63," "64," igr2= "127," "128," "129," "131," "132," "133," &end # # 1769 ARG+ H 1769 ARG+ QG 5.03 (# ) &rst ixpk= "0," nxpk= "0," iat= "70," "-1," r1= "1.30," r2= "1.80," r3= "5.03," r4= "5.53," igr2= "77," "78," &end # # 1769 ARG+ H 1769 ARG+ QD 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "70," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr2= "80," "81," &end # # 1769 ARG+ HA 1769 ARG+ QG 4.06 (# ) &rst ixpk= "0," nxpk= "0," iat= "72," "-1," r1= "1.30," r2= "1.80," r3= "4.06," r4= "4.56," igr2= "77," "78," &end # # 1769 ARG+ QG 3047 PRO QD 5.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.98," r4= "6.48," igr1= "77," "78," igr2= "1659," "1660," &end # # 1769 ARG+ QD 1773 ILE QD1 5.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.97," r4= "6.47," igr1= "80," "81," igr2= "161," "162," "163," &end # # 1769 ARG+ QD 3045 LEU QQD 6.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.43," r4= "6.93," igr1= "80," "81," igr2= "1637," "1638," "1639," "1641," "1642," "1643," &end # # 1769 ARG+ QD 3047 PRO QD 6.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.53," r4= "7.03," igr1= "80," "81," igr2= "1659," "1660," &end # # 1770 ARG+ HA 1770 ARG+ QG 4.03 (# ) &rst ixpk= "0," nxpk= "0," iat= "96," "-1," r1= "1.30," r2= "1.80," r3= "4.03," r4= "4.53," igr2= "101," "102," &end # # 1770 ARG+ HA 1771 LEU QQD 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "96," "-1," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr2= "127," "128," "129," "131," "132," "133," &end # # 1770 ARG+ QG 1771 LEU H 4.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "118," r1= "1.30," r2= "1.80," r3= "4.61," r4= "5.11," igr1= "101," "102," &end # # 1770 ARG+ QG 1771 LEU QQD 6.63 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.63," r4= "7.13," igr1= "101," "102," igr2= "127," "128," "129," "131," "132," "133," &end # # 1770 ARG+ QD 1771 LEU QQD 6.4 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.40," r4= "6.90," igr1= "104," "105," igr2= "127," "128," "129," "131," "132," "133," &end # # 1771 LEU H 1771 LEU QQD 5.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "118," "-1," r1= "1.30," r2= "1.80," r3= "5.18," r4= "5.68," igr2= "127," "128," "129," "131," "132," "133," &end # # 1771 LEU HA 1771 LEU QQD 3.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "120," "-1," r1= "1.30," r2= "1.80," r3= "3.60," r4= "4.10," igr2= "127," "128," "129," "131," "132," "133," &end # # 1771 LEU QB 1772 SER QB 6.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.53," r4= "7.03," igr1= "122," "123," igr2= "141," "142," &end # # 1771 LEU QB 1775 ARG+ H 5.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "184," r1= "1.30," r2= "1.80," r3= "5.61," r4= "6.11," igr1= "122," "123," &end # # 1771 LEU QQD 1772 SER H 6.21 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "137," r1= "1.30," r2= "1.80," r3= "6.21," r4= "6.71," igr1= "127," "128," "129," "131," "132," "133," &end # # 1771 LEU QQD 1774 GLN H 7.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "167," r1= "1.30," r2= "1.80," r3= "7.13," r4= "7.63," igr1= "127," "128," "129," "131," "132," "133," &end # # 1771 LEU QQD 1774 GLN HB- 5.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.70," r4= "6.20," igr1= "127," "128," "129," "131," "132," "133," igr2= "171," "172," &end # # 1771 LEU QQD 1774 GLN HB+ 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr1= "127," "128," "129," "131," "132," "133," igr2= "171," "172," &end # # 1771 LEU QQD 1774 GLN HG+ 6.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.01," r4= "6.51," igr1= "127," "128," "129," "131," "132," "133," igr2= "174," "175," &end # # 1772 SER H 1772 SER QB 3.4 (# ) &rst ixpk= "0," nxpk= "0," iat= "137," "-1," r1= "1.30," r2= "1.80," r3= "3.40," r4= "3.90," igr2= "141," "142," &end # # 1772 SER HA 3047 PRO QB 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "139," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr2= "1665," "1666," &end # # 1772 SER HA 3051 GLU- QG 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "139," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "1722," "1723," &end # # 1772 SER QB 1773 ILE H 4.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "148," r1= "1.30," r2= "1.80," r3= "4.33," r4= "4.83," igr1= "141," "142," &end # # 1772 SER QB 1773 ILE HA 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "150," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "141," "142," &end # # 1772 SER QB 1773 ILE QG1 6.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.30," r4= "6.80," igr1= "141," "142," igr2= "158," "159," &end # # 1772 SER QB 1775 ARG+ QG 6.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.73," r4= "7.23," igr1= "141," "142," igr2= "191," "192," &end # # 1772 SER QB 3047 PRO QB 5.59 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.59," r4= "6.09," igr1= "141," "142," igr2= "1665," "1666," &end # # 1772 SER QB 3050 ILE HG12 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1706," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "141," "142," &end # # 1772 SER QB 3050 ILE QD1 4.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.50," r4= "5.00," igr1= "141," "142," igr2= "1709," "1710," "1711," &end # # 1772 SER QB 3051 GLU- QG 6.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.53," r4= "7.03," igr1= "141," "142," igr2= "1722," "1723," &end # # 1773 ILE H 3047 PRO QB 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "148," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr2= "1665," "1666," &end # # 1773 ILE HA 1776 CYS QB 3.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "150," "-1," r1= "1.30," r2= "1.80," r3= "3.79," r4= "4.29," igr2= "212," "213," &end # # 1773 ILE HA 1826 LEU QB 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "150," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr2= "975," "976," &end # # 1773 ILE HA 1826 LEU QQD 5.45 (# ) &rst ixpk= "0," nxpk= "0," iat= "150," "-1," r1= "1.30," r2= "1.80," r3= "5.45," r4= "5.95," igr2= "980," "981," "982," "984," "985," "986," &end # # 1773 ILE HB 3047 PRO QB 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "152," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr2= "1665," "1666," &end # # 1773 ILE QG2 1776 CYS QB 6.58 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.58," r4= "7.08," igr1= "154," "155," "156," igr2= "212," "213," &end # # 1773 ILE QG2 1777 ILE QG1 4.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.66," r4= "5.16," igr1= "154," "155," "156," igr2= "229," "230," &end # # 1773 ILE QG2 1826 LEU QQD 7.06 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.06," r4= "7.56," igr1= "154," "155," "156," igr2= "980," "981," "982," "984," "985," "986," &end # # 1773 ILE QD1 3043 LEU QB 7.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.20," r4= "7.70," igr1= "161," "162," "163," igr2= "1596," "1597," &end # # 1773 ILE QD1 3044 MET QG 7.24 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.24," r4= "7.74," igr1= "161," "162," "163," igr2= "1618," "1619," &end # # 1773 ILE QD1 3045 LEU QQD 5.31 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.31," r4= "5.81," igr1= "161," "162," "163," igr2= "1637," "1638," "1639," "1641," "1642," "1643," &end # # 1773 ILE QD1 3047 PRO QD 7.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.20," r4= "7.70," igr1= "161," "162," "163," igr2= "1659," "1660," &end # # 1774 GLN H 1826 LEU QQD 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "167," "-1," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr2= "980," "981," "982," "984," "985," "986," &end # # 1774 GLN HA 1777 ILE QG1 5.02 (# ) &rst ixpk= "0," nxpk= "0," iat= "169," "-1," r1= "1.30," r2= "1.80," r3= "5.02," r4= "5.52," igr2= "229," "230," &end # # 1775 ARG+ QB 1776 CYS QB 5.67 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.67," r4= "6.17," igr1= "188," "189," igr2= "212," "213," &end # # 1776 CYS H 1826 LEU QQD 5.77 (# ) &rst ixpk= "0," nxpk= "0," iat= "208," "-1," r1= "1.30," r2= "1.80," r3= "5.77," r4= "6.27," igr2= "980," "981," "982," "984," "985," "986," &end # # 1776 CYS QB 1777 ILE QD1 7.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.20," r4= "7.70," igr1= "212," "213," igr2= "232," "233," "234," &end # # 1776 CYS QB 1799 MET QE 5.31 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.31," r4= "5.81," igr1= "212," "213," igr2= "553," "554," "555," &end # # 1776 CYS QB 1826 LEU QB 5.68 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.68," r4= "6.18," igr1= "212," "213," igr2= "975," "976," &end # # 1776 CYS QB 1826 LEU QQD 4.21 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.21," r4= "4.71," igr1= "212," "213," igr2= "980," "981," "982," "984," "985," "986," &end # # 1776 CYS QB 3050 ILE QG2 7.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.20," r4= "7.70," igr1= "212," "213," igr2= "1702," "1703," "1704," &end # # 1776 CYS QB 3054 PHE QE 5.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.53," r4= "6.03," igr1= "212," "213," igr2= "1781," "1785," &end # # 1777 ILE H 1777 ILE QG1 3.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "219," "-1," r1= "1.30," r2= "1.80," r3= "3.97," r4= "4.47," igr2= "229," "230," &end # # 1777 ILE HA 1777 ILE QG1 3.37 (# ) &rst ixpk= "0," nxpk= "0," iat= "221," "-1," r1= "1.30," r2= "1.80," r3= "3.37," r4= "3.87," igr2= "229," "230," &end # # 1777 ILE HA 1780 LEU QQD 5.27 (# ) &rst ixpk= "0," nxpk= "0," iat= "221," "-1," r1= "1.30," r2= "1.80," r3= "5.27," r4= "5.77," igr2= "275," "276," "277," "279," "280," "281," &end # # 1777 ILE HA 1826 LEU QQD 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "221," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "980," "981," "982," "984," "985," "986," &end # # 1777 ILE QG2 1777 ILE QG1 4.29 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.29," r4= "4.79," igr1= "225," "226," "227," igr2= "229," "230," &end # # 1777 ILE QG2 1778 GLN QG 5.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.96," r4= "6.46," igr1= "225," "226," "227," igr2= "245," "246," &end # # 1777 ILE QG2 1781 VAL QQG 5.49 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.49," r4= "5.99," igr1= "225," "226," "227," igr2= "291," "292," "293," "295," "296," "297," &end # # 1777 ILE QG1 1780 LEU QQD 7.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.85," r4= "8.35," igr1= "229," "230," igr2= "275," "276," "277," "279," "280," "281," &end # # 1777 ILE QG1 1826 LEU HA 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "973," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "229," "230," &end # # 1777 ILE QG1 1829 TYR H 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1012," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "229," "230," &end # # 1777 ILE QG1 1829 TYR HB- 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "229," "230," igr2= "1016," "1017," &end # # 1777 ILE QG1 1829 TYR HB+ 5.21 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.21," r4= "5.71," igr1= "229," "230," igr2= "1016," "1017," &end # # 1777 ILE QG1 1829 TYR QD 5.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.23," r4= "5.73," igr1= "229," "230," igr2= "1020," "1029," &end # # 1777 ILE QG1 1829 TYR QE 6.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.73," r4= "7.23," igr1= "229," "230," igr2= "1022," "1027," &end # # 1777 ILE QG1 1830 HIS HA 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1035," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "229," "230," &end # # 1777 ILE QG1 1830 HIS HB- 4.94 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.94," r4= "5.44," igr1= "229," "230," igr2= "1037," "1038," &end # # 1777 ILE QG1 1830 HIS HB+ 5.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.98," r4= "6.48," igr1= "229," "230," igr2= "1037," "1038," &end # # 1778 GLN H 1778 GLN QB 3.75 (# ) &rst ixpk= "0," nxpk= "0," iat= "238," "-1," r1= "1.30," r2= "1.80," r3= "3.75," r4= "4.25," igr2= "242," "243," &end # # 1778 GLN H 1778 GLN QG 4.03 (# ) &rst ixpk= "0," nxpk= "0," iat= "238," "-1," r1= "1.30," r2= "1.80," r3= "4.03," r4= "4.53," igr2= "245," "246," &end # # 1778 GLN HA 1778 GLN QB 2.94 (# ) &rst ixpk= "0," nxpk= "0," iat= "240," "-1," r1= "1.30," r2= "1.80," r3= "2.94," r4= "3.44," igr2= "242," "243," &end # # 1778 GLN HA 1778 GLN QG 3.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "240," "-1," r1= "1.30," r2= "1.80," r3= "3.87," r4= "4.37," igr2= "245," "246," &end # # 1778 GLN HA 1781 VAL QQG 4.54 (# ) &rst ixpk= "0," nxpk= "0," iat= "240," "-1," r1= "1.30," r2= "1.80," r3= "4.54," r4= "5.04," igr2= "291," "292," "293," "295," "296," "297," &end # # 1778 GLN QB 1779 SER H 3.77 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "255," r1= "1.30," r2= "1.80," r3= "3.77," r4= "4.27," igr1= "242," "243," &end # # 1778 GLN QB 1779 SER HA 5.39 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "257," r1= "1.30," r2= "1.80," r3= "5.39," r4= "5.89," igr1= "242," "243," &end # # 1778 GLN QB 1781 VAL QQG 7.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.99," r4= "8.49," igr1= "242," "243," igr2= "291," "292," "293," "295," "296," "297," &end # # 1778 GLN QB 1782 HIS H 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "301," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "242," "243," &end # # 1778 GLN QG 1778 GLN QE2 4.03 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.03," r4= "4.53," igr1= "245," "246," igr2= "250," "251," &end # # 1778 GLN QG 1781 VAL QQG 7.11 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.11," r4= "7.61," igr1= "245," "246," igr2= "291," "292," "293," "295," "296," "297," &end # # 1778 GLN QE2 1779 SER H 5.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "255," r1= "1.30," r2= "1.80," r3= "5.98," r4= "6.48," igr1= "250," "251," &end # # 1778 GLN QE2 1781 VAL QQG 7.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.34," r4= "7.84," igr1= "250," "251," igr2= "291," "292," "293," "295," "296," "297," &end # # 1779 SER H 1779 SER QB 3.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "255," "-1," r1= "1.30," r2= "1.80," r3= "3.60," r4= "4.10," igr2= "259," "260," &end # # 1779 SER H 1781 VAL QQG 6.82 (# ) &rst ixpk= "0," nxpk= "0," iat= "255," "-1," r1= "1.30," r2= "1.80," r3= "6.82," r4= "7.32," igr2= "291," "292," "293," "295," "296," "297," &end # # 1779 SER HA 1781 VAL QQG 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "257," "-1," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr2= "291," "292," "293," "295," "296," "297," &end # # 1779 SER HA 1793 LEU QQD 6.69 (# ) &rst ixpk= "0," nxpk= "0," iat= "257," "-1," r1= "1.30," r2= "1.80," r3= "6.69," r4= "7.19," igr2= "458," "459," "460," "462," "463," "464," &end # # 1779 SER QB 1780 LEU H 4.8 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "266," r1= "1.30," r2= "1.80," r3= "4.80," r4= "5.30," igr1= "259," "260," &end # # 1779 SER QB 1780 LEU HB- 5.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.96," r4= "6.46," igr1= "259," "260," igr2= "270," "271," &end # # 1779 SER QB 1782 HIS HB+ 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "259," "260," igr2= "305," "306," &end # # 1779 SER QB 1782 HIS HD2 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "314," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "259," "260," &end # # 1779 SER QB 1783 ALA QB 6.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.86," r4= "7.36," igr1= "259," "260," igr2= "322," "323," "324," &end # # 1779 SER QB 1796 CYSZ HB- 5.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.70," r4= "6.20," igr1= "259," "260," igr2= "498," "497," &end # # 1779 SER QB 1799 MET HG- 5.28 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.28," r4= "5.78," igr1= "259," "260," igr2= "549," "550," &end # # 1779 SER QB 1799 MET HG+ 4.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.38," r4= "4.88," igr1= "259," "260," igr2= "549," "550," &end # # 1779 SER QB 1799 MET QE 6.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.19," r4= "6.69," igr1= "259," "260," igr2= "553," "554," "555," &end # # 1780 LEU H 1780 LEU QQD 5.69 (# ) &rst ixpk= "0," nxpk= "0," iat= "266," "-1," r1= "1.30," r2= "1.80," r3= "5.69," r4= "6.19," igr2= "275," "276," "277," "279," "280," "281," &end # # 1780 LEU H 1781 VAL QQG 5.54 (# ) &rst ixpk= "0," nxpk= "0," iat= "266," "-1," r1= "1.30," r2= "1.80," r3= "5.54," r4= "6.04," igr2= "291," "292," "293," "295," "296," "297," &end # # 1780 LEU HA 1780 LEU QQD 4.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "268," "-1," r1= "1.30," r2= "1.80," r3= "4.30," r4= "4.80," igr2= "275," "276," "277," "279," "280," "281," &end # # 1780 LEU HB- 1780 LEU QQD 4.06 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.06," r4= "4.56," igr1= "270," "271," igr2= "275," "276," "277," "279," "280," "281," &end # # 1780 LEU HB- 1826 LEU QQD 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr1= "270," "271," igr2= "980," "981," "982," "984," "985," "986," &end # # 1780 LEU HG 1827 CYS QB 6.11 (# ) &rst ixpk= "0," nxpk= "0," iat= "273," "-1," r1= "1.30," r2= "1.80," r3= "6.11," r4= "6.61," igr2= "994," "995," &end # # 1780 LEU QQD 1781 VAL H 6.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "285," r1= "1.30," r2= "1.80," r3= "6.07," r4= "6.57," igr1= "275," "276," "277," "279," "280," "281," &end # # 1780 LEU QQD 1781 VAL HA 6.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "287," r1= "1.30," r2= "1.80," r3= "6.79," r4= "7.29," igr1= "275," "276," "277," "279," "280," "281," &end # # 1780 LEU QQD 1783 ALA H 7.24 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "318," r1= "1.30," r2= "1.80," r3= "7.24," r4= "7.74," igr1= "275," "276," "277," "279," "280," "281," &end # # 1780 LEU QQD 1784 CYS H 5.82 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "328," r1= "1.30," r2= "1.80," r3= "5.82," r4= "6.32," igr1= "275," "276," "277," "279," "280," "281," &end # # 1780 LEU QQD 1784 CYS QB 6.57 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.57," r4= "7.07," igr1= "275," "276," "277," "279," "280," "281," igr2= "332," "333," &end # # 1780 LEU QQD 1799 MET HB- 5.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.72," r4= "6.22," igr1= "275," "276," "277," "279," "280," "281," igr2= "546," "547," &end # # 1780 LEU QQD 1799 MET HB+ 4.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.61," r4= "5.11," igr1= "275," "276," "277," "279," "280," "281," igr2= "546," "547," &end # # 1780 LEU QQD 1799 MET HG- 6.82 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.82," r4= "7.32," igr1= "275," "276," "277," "279," "280," "281," igr2= "549," "550," &end # # 1780 LEU QQD 1799 MET HG+ 5.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.84," r4= "6.34," igr1= "275," "276," "277," "279," "280," "281," igr2= "549," "550," &end # # 1780 LEU QQD 1799 MET QE 6.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.51," r4= "7.01," igr1= "275," "276," "277," "279," "280," "281," igr2= "553," "554," "555," &end # # 1780 LEU QQD 1826 LEU QB 6.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.85," r4= "7.35," igr1= "275," "276," "277," "279," "280," "281," igr2= "975," "976," &end # # 1780 LEU QQD 1827 CYS H 6.4 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "990," r1= "1.30," r2= "1.80," r3= "6.40," r4= "6.90," igr1= "275," "276," "277," "279," "280," "281," &end # # 1780 LEU QQD 1827 CYS HA 4.15 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "992," r1= "1.30," r2= "1.80," r3= "4.15," r4= "4.65," igr1= "275," "276," "277," "279," "280," "281," &end # # 1780 LEU QQD 1827 CYS QB 7.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.99," r4= "8.49," igr1= "275," "276," "277," "279," "280," "281," igr2= "994," "995," &end # # 1780 LEU QQD 1830 HIS H 7.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1033," r1= "1.30," r2= "1.80," r3= "7.18," r4= "7.68," igr1= "275," "276," "277," "279," "280," "281," &end # # 1780 LEU QQD 1830 HIS HA 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1035," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr1= "275," "276," "277," "279," "280," "281," &end # # 1780 LEU QQD 1830 HIS HB- 5.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.23," r4= "5.73," igr1= "275," "276," "277," "279," "280," "281," igr2= "1037," "1038," &end # # 1780 LEU QQD 1830 HIS HB+ 5.11 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.11," r4= "5.61," igr1= "275," "276," "277," "279," "280," "281," igr2= "1037," "1038," &end # # 1780 LEU QQD 1830 HIS HD2 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1046," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr1= "275," "276," "277," "279," "280," "281," &end # # 1780 LEU QQD 1841 VAL QG2 4.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.86," r4= "5.36," igr1= "275," "276," "277," "279," "280," "281," igr2= "1212," "1213," "1214," &end # # 1780 LEU QQD 1842 PRO QG 6.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.72," r4= "7.22," igr1= "275," "276," "277," "279," "280," "281," igr2= "1222," "1223," &end # # 1780 LEU QQD 1842 PRO QD 5.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.42," r4= "5.92," igr1= "275," "276," "277," "279," "280," "281," igr2= "1219," "1220," &end # # 1780 LEU QQD 1843 PHE HB- 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr1= "275," "276," "277," "279," "280," "281," igr2= "1236," "1237," &end # # 1780 LEU QQD 1843 PHE QD 8.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "8.23," r4= "8.73," igr1= "275," "276," "277," "279," "280," "281," igr2= "1240," "1248," &end # # 1780 LEU QQD 1844 CYSZ HB- 6.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.74," r4= "7.24," igr1= "275," "276," "277," "279," "280," "281," igr2= "1257," "1256," &end # # 1780 LEU QQD 3054 PHE QE 8.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "8.23," r4= "8.73," igr1= "275," "276," "277," "279," "280," "281," igr2= "1781," "1785," &end # # 1781 VAL H 1781 VAL QQG 4.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "285," "-1," r1= "1.30," r2= "1.80," r3= "4.43," r4= "4.93," igr2= "291," "292," "293," "295," "296," "297," &end # # 1781 VAL HA 1781 VAL QQG 3.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "287," "-1," r1= "1.30," r2= "1.80," r3= "3.60," r4= "4.10," igr2= "291," "292," "293," "295," "296," "297," &end # # 1781 VAL HA 1784 CYS QB 4.36 (# ) &rst ixpk= "0," nxpk= "0," iat= "287," "-1," r1= "1.30," r2= "1.80," r3= "4.36," r4= "4.86," igr2= "332," "333," &end # # 1781 VAL HA 1785 GLN QG 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "287," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr2= "346," "347," &end # # 1781 VAL HA 1840 PRO QG 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "287," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr2= "1192," "1193," &end # # 1781 VAL HB 1785 GLN QE2 4.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "289," "-1," r1= "1.30," r2= "1.80," r3= "4.79," r4= "5.29," igr2= "351," "352," &end # # 1781 VAL QQG 1782 HIS H 4.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "301," r1= "1.30," r2= "1.80," r3= "4.88," r4= "5.38," igr1= "291," "292," "293," "295," "296," "297," &end # # 1781 VAL QQG 1784 CYS H 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "328," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr1= "291," "292," "293," "295," "296," "297," &end # # 1781 VAL QQG 1784 CYS QB 7.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.99," r4= "8.49," igr1= "291," "292," "293," "295," "296," "297," igr2= "332," "333," &end # # 1781 VAL QQG 1785 GLN QG 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "291," "292," "293," "295," "296," "297," igr2= "346," "347," &end # # 1781 VAL QQG 1785 GLN QE2 5.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.55," r4= "6.05," igr1= "291," "292," "293," "295," "296," "297," igr2= "351," "352," &end # # 1781 VAL QQG 1830 HIS HE1 4.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1043," r1= "1.30," r2= "1.80," r3= "4.64," r4= "5.14," igr1= "291," "292," "293," "295," "296," "297," &end # # 1781 VAL QQG 1836 GLU- QG 7.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.99," r4= "8.49," igr1= "291," "292," "293," "295," "296," "297," igr2= "1134," "1135," &end # # 1781 VAL QQG 1839 CYS- HA 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1180," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr1= "291," "292," "293," "295," "296," "297," &end # # 1781 VAL QQG 1839 CYS- HB- 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr1= "291," "292," "293," "295," "296," "297," igr2= "1183," "1182," &end # # 1781 VAL QQG 1840 PRO HA 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1198," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr1= "291," "292," "293," "295," "296," "297," &end # # 1781 VAL QQG 1840 PRO QG 6.45 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.45," r4= "6.95," igr1= "291," "292," "293," "295," "296," "297," igr2= "1192," "1193," &end # # 1781 VAL QQG 1840 PRO QD 6.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.14," r4= "6.64," igr1= "291," "292," "293," "295," "296," "297," igr2= "1189," "1190," &end # # 1781 VAL QQG 1841 VAL HA 6.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1204," r1= "1.30," r2= "1.80," r3= "6.50," r4= "7.00," igr1= "291," "292," "293," "295," "296," "297," &end # # 1781 VAL QQG 1844 CYSZ HB- 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr1= "291," "292," "293," "295," "296," "297," igr2= "1257," "1256," &end # # 1782 HIS H 1785 GLN QE2 4.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "301," "-1," r1= "1.30," r2= "1.80," r3= "4.51," r4= "5.01," igr2= "351," "352," &end # # 1782 HIS HA 1785 GLN QG 4.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "303," "-1," r1= "1.30," r2= "1.80," r3= "4.13," r4= "4.63," igr2= "346," "347," &end # # 1782 HIS HA 1785 GLN QE2 4.95 (# ) &rst ixpk= "0," nxpk= "0," iat= "303," "-1," r1= "1.30," r2= "1.80," r3= "4.95," r4= "5.45," igr2= "351," "352," &end # # 1782 HIS HD2 1793 LEU QQD 5.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "314," "-1," r1= "1.30," r2= "1.80," r3= "5.85," r4= "6.35," igr2= "458," "459," "460," "462," "463," "464," &end # # 1782 HIS HE1 1793 LEU QQD 4.49 (# ) &rst ixpk= "0," nxpk= "0," iat= "311," "-1," r1= "1.30," r2= "1.80," r3= "4.49," r4= "4.99," igr2= "458," "459," "460," "462," "463," "464," &end # # 1783 ALA HA 1800 LYS+ QG 5.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "320," "-1," r1= "1.30," r2= "1.80," r3= "5.51," r4= "6.01," igr2= "566," "567," &end # # 1783 ALA HA 1800 LYS+ QE 4.05 (# ) &rst ixpk= "0," nxpk= "0," iat= "320," "-1," r1= "1.30," r2= "1.80," r3= "4.05," r4= "4.55," igr2= "572," "573," &end # # 1783 ALA QB 1800 LYS+ QG 4.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.17," r4= "4.67," igr1= "322," "323," "324," igr2= "566," "567," &end # # 1783 ALA QB 1800 LYS+ QE 6.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.74," r4= "7.24," igr1= "322," "323," "324," igr2= "572," "573," &end # # 1783 ALA QB 1803 VAL QQG 5.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.86," r4= "6.36," igr1= "322," "323," "324," igr2= "627," "628," "629," "631," "632," "633," &end # # 1784 CYS H 1784 CYS QB 3.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "328," "-1," r1= "1.30," r2= "1.80," r3= "3.60," r4= "4.10," igr2= "332," "333," &end # # 1784 CYS H 1785 GLN QG 5.81 (# ) &rst ixpk= "0," nxpk= "0," iat= "328," "-1," r1= "1.30," r2= "1.80," r3= "5.81," r4= "6.31," igr2= "346," "347," &end # # 1784 CYS QB 1785 GLN H 4.48 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "339," r1= "1.30," r2= "1.80," r3= "4.48," r4= "4.98," igr1= "332," "333," &end # # 1784 CYS QB 1803 VAL QQG 7.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.20," r4= "7.70," igr1= "332," "333," igr2= "627," "628," "629," "631," "632," "633," &end # # 1784 CYS QB 1840 PRO HA 5.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1198," r1= "1.30," r2= "1.80," r3= "5.42," r4= "5.92," igr1= "332," "333," &end # # 1784 CYS QB 1840 PRO QB 4.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.52," r4= "5.02," igr1= "332," "333," igr2= "1195," "1196," &end # # 1784 CYS QB 1840 PRO QG 4.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.88," r4= "5.38," igr1= "332," "333," igr2= "1192," "1193," &end # # 1784 CYS QB 1841 VAL H 4.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1202," r1= "1.30," r2= "1.80," r3= "4.07," r4= "4.57," igr1= "332," "333," &end # # 1784 CYS QB 1841 VAL QG2 4.89 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.89," r4= "5.39," igr1= "332," "333," igr2= "1212," "1213," "1214," &end # # 1784 CYS QB 1842 PRO QD 5.09 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.09," r4= "5.59," igr1= "332," "333," igr2= "1219," "1220," &end # # 1785 GLN H 1785 GLN QB 3.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "339," "-1," r1= "1.30," r2= "1.80," r3= "3.98," r4= "4.48," igr2= "343," "344," &end # # 1785 GLN H 1785 GLN QG 3.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "339," "-1," r1= "1.30," r2= "1.80," r3= "3.83," r4= "4.33," igr2= "346," "347," &end # # 1785 GLN H 1840 PRO QG 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "339," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr2= "1192," "1193," &end # # 1785 GLN QG 1840 PRO QG 6.02 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.02," r4= "6.52," igr1= "346," "347," igr2= "1192," "1193," &end # # 1785 GLN QE2 1840 PRO QG 5.69 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.69," r4= "6.19," igr1= "351," "352," igr2= "1192," "1193," &end # # 1785 GLN QE2 1840 PRO QD 6 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.00," r4= "6.50," igr1= "351," "352," igr2= "1189," "1190," &end # # 1786 CYS- H 1787 ARG+ QG 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "356," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr2= "373," "374," &end # # 1786 CYS- H 1800 LYS+ QE 4.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "356," "-1," r1= "1.30," r2= "1.80," r3= "4.51," r4= "5.01," igr2= "572," "573," &end # # 1786 CYS- HB- 1793 LEU QQD 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr1= "361," "360," igr2= "458," "459," "460," "462," "463," "464," &end # # 1786 CYS- HB+ 1800 LYS+ QG 5.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.98," r4= "6.48," igr1= "361," "360," igr2= "566," "567," &end # # 1786 CYS- HB+ 1800 LYS+ QE 3.36 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.36," r4= "3.86," igr1= "361," "360," igr2= "572," "573," &end # # 1787 ARG+ HA 1787 ARG+ QG 4.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "368," "-1," r1= "1.30," r2= "1.80," r3= "4.20," r4= "4.70," igr2= "373," "374," &end # # 1788 ASN H 1788 ASN QB 2.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "390," "-1," r1= "1.30," r2= "1.80," r3= "2.84," r4= "3.34," igr2= "394," "395," &end # # 1788 ASN HA 1788 ASN QB 3.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "392," "-1," r1= "1.30," r2= "1.80," r3= "3.01," r4= "3.51," igr2= "394," "395," &end # # 1788 ASN QB 1789 ALA HA 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "406," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "394," "395," &end # # 1788 ASN QB 1791 CYS- HA 4.15 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "430," r1= "1.30," r2= "1.80," r3= "4.15," r4= "4.65," igr1= "394," "395," &end # # 1788 ASN QB 1791 CYS- QB 5.37 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.37," r4= "5.87," igr1= "394," "395," igr2= "433," "432," &end # # 1789 ALA QB 1790 ASN QB 6.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.50," r4= "7.00," igr1= "408," "409," "410," igr2= "418," "419," &end # # 1790 ASN H 1790 ASN QB 3.24 (# ) &rst ixpk= "0," nxpk= "0," iat= "414," "-1," r1= "1.30," r2= "1.80," r3= "3.24," r4= "3.74," igr2= "418," "419," &end # # 1790 ASN H 1790 ASN QD2 4.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "414," "-1," r1= "1.30," r2= "1.80," r3= "4.14," r4= "4.64," igr2= "423," "424," &end # # 1790 ASN HA 1790 ASN QB 2.95 (# ) &rst ixpk= "0," nxpk= "0," iat= "416," "-1," r1= "1.30," r2= "1.80," r3= "2.95," r4= "3.45," igr2= "418," "419," &end # # 1790 ASN QB 1790 ASN QD2 3.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.84," r4= "4.34," igr1= "418," "419," igr2= "423," "424," &end # # 1791 CYS- QB 1793 LEU QQD 7.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.32," r4= "7.82," igr1= "433," "432," igr2= "458," "459," "460," "462," "463," "464," &end # # 1792 SER HA 1797 GLN QG 5.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "440," "-1," r1= "1.30," r2= "1.80," r3= "5.16," r4= "5.66," igr2= "510," "511," &end # # 1792 SER QB 1793 LEU QQD 7.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.16," r4= "7.66," igr1= "442," "443," igr2= "458," "459," "460," "462," "463," "464," &end # # 1793 LEU H 1793 LEU QQD 4.58 (# ) &rst ixpk= "0," nxpk= "0," iat= "449," "-1," r1= "1.30," r2= "1.80," r3= "4.58," r4= "5.08," igr2= "458," "459," "460," "462," "463," "464," &end # # 1793 LEU H 1794 PRO QD 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "449," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr2= "469," "470," &end # # 1793 LEU HA 1793 LEU QQD 3.68 (# ) &rst ixpk= "0," nxpk= "0," iat= "451," "-1," r1= "1.30," r2= "1.80," r3= "3.68," r4= "4.18," igr2= "458," "459," "460," "462," "463," "464," &end # # 1793 LEU HA 1794 PRO QB 5.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "451," "-1," r1= "1.30," r2= "1.80," r3= "5.70," r4= "6.20," igr2= "475," "476," &end # # 1793 LEU HA 1794 PRO QG 5.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "451," "-1," r1= "1.30," r2= "1.80," r3= "5.19," r4= "5.69," igr2= "472," "473," &end # # 1793 LEU HA 1794 PRO QD 2.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "451," "-1," r1= "1.30," r2= "1.80," r3= "2.85," r4= "3.35," igr2= "469," "470," &end # # 1793 LEU HB- 1793 LEU QQD 3.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.72," r4= "4.22," igr1= "453," "454," igr2= "458," "459," "460," "462," "463," "464," &end # # 1793 LEU HB- 1794 PRO QD 4.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.55," r4= "5.05," igr1= "453," "454," igr2= "469," "470," &end # # 1793 LEU HB+ 1793 LEU QQD 3.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.79," r4= "4.29," igr1= "453," "454," igr2= "458," "459," "460," "462," "463," "464," &end # # 1793 LEU HG 1794 PRO QD 5.31 (# ) &rst ixpk= "0," nxpk= "0," iat= "456," "-1," r1= "1.30," r2= "1.80," r3= "5.31," r4= "5.81," igr2= "469," "470," &end # # 1793 LEU QQD 1794 PRO HA 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "478," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr1= "458," "459," "460," "462," "463," "464," &end # # 1793 LEU QQD 1794 PRO QB 7.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.99," r4= "8.49," igr1= "458," "459," "460," "462," "463," "464," igr2= "475," "476," &end # # 1793 LEU QQD 1794 PRO QG 6.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.13," r4= "6.63," igr1= "458," "459," "460," "462," "463," "464," igr2= "472," "473," &end # # 1793 LEU QQD 1794 PRO QD 4.28 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.28," r4= "4.78," igr1= "458," "459," "460," "462," "463," "464," igr2= "469," "470," &end # # 1793 LEU QQD 1796 CYSZ H 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "493," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr1= "458," "459," "460," "462," "463," "464," &end # # 1793 LEU QQD 1796 CYSZ HB+ 5.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.16," r4= "5.66," igr1= "458," "459," "460," "462," "463," "464," igr2= "498," "497," &end # # 1794 PRO QG 1796 CYSZ H 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "493," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "472," "473," &end # # 1795 SER HA 1795 SER QB 2.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "484," "-1," r1= "1.30," r2= "1.80," r3= "2.97," r4= "3.47," igr2= "486," "487," &end # # 1795 SER HA 1798 LYS+ QB 4.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "484," "-1," r1= "1.30," r2= "1.80," r3= "4.46," r4= "4.96," igr2= "524," "525," &end # # 1795 SER HA 1798 LYS+ QG 4.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "484," "-1," r1= "1.30," r2= "1.80," r3= "4.99," r4= "5.49," igr2= "527," "528," &end # # 1795 SER QB 1798 LYS+ QB 5.28 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.28," r4= "5.78," igr1= "486," "487," igr2= "524," "525," &end # # 1795 SER QB 1798 LYS+ QE 6.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.50," r4= "7.00," igr1= "486," "487," igr2= "533," "534," &end # # 1795 SER QB 1799 MET HB- 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "486," "487," igr2= "546," "547," &end # # 1795 SER QB 1799 MET HG- 4.4 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.40," r4= "4.90," igr1= "486," "487," igr2= "549," "550," &end # # 1795 SER QB 1799 MET HG+ 5.03 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.03," r4= "5.53," igr1= "486," "487," igr2= "549," "550," &end # # 1795 SER QB 1799 MET QE 5.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.97," r4= "6.47," igr1= "486," "487," igr2= "553," "554," "555," &end # # 1795 SER QB 3054 PHE QE 6.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.73," r4= "7.23," igr1= "486," "487," igr2= "1781," "1785," &end # # 1796 CYSZ HA 1800 LYS+ QG 5.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "495," "-1," r1= "1.30," r2= "1.80," r3= "5.66," r4= "6.16," igr2= "566," "567," &end # # 1796 CYSZ HB+ 1797 GLN QG 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "498," "497," igr2= "510," "511," &end # # 1797 GLN H 1797 GLN QG 3.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "503," "-1," r1= "1.30," r2= "1.80," r3= "3.55," r4= "4.05," igr2= "510," "511," &end # # 1797 GLN H 1797 GLN QE2 4.78 (# ) &rst ixpk= "0," nxpk= "0," iat= "503," "-1," r1= "1.30," r2= "1.80," r3= "4.78," r4= "5.28," igr2= "515," "516," &end # # 1797 GLN H 1798 LYS+ QG 5.8 (# ) &rst ixpk= "0," nxpk= "0," iat= "503," "-1," r1= "1.30," r2= "1.80," r3= "5.80," r4= "6.30," igr2= "527," "528," &end # # 1797 GLN HA 1797 GLN QG 3.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "505," "-1," r1= "1.30," r2= "1.80," r3= "3.38," r4= "3.88," igr2= "510," "511," &end # # 1797 GLN HA 1800 LYS+ QB 3.91 (# ) &rst ixpk= "0," nxpk= "0," iat= "505," "-1," r1= "1.30," r2= "1.80," r3= "3.91," r4= "4.41," igr2= "563," "564," &end # # 1797 GLN HA 1800 LYS+ QG 5.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "505," "-1," r1= "1.30," r2= "1.80," r3= "5.38," r4= "5.88," igr2= "566," "567," &end # # 1797 GLN QG 1797 GLN QE2 4.08 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.08," r4= "4.58," igr1= "510," "511," igr2= "515," "516," &end # # 1797 GLN QG 1798 LYS+ H 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "520," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "510," "511," &end # # 1798 LYS+ H 1798 LYS+ QB 3.31 (# ) &rst ixpk= "0," nxpk= "0," iat= "520," "-1," r1= "1.30," r2= "1.80," r3= "3.31," r4= "3.81," igr2= "524," "525," &end # # 1798 LYS+ H 1798 LYS+ QG 4.25 (# ) &rst ixpk= "0," nxpk= "0," iat= "520," "-1," r1= "1.30," r2= "1.80," r3= "4.25," r4= "4.75," igr2= "527," "528," &end # # 1798 LYS+ HA 1798 LYS+ QG 3.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "522," "-1," r1= "1.30," r2= "1.80," r3= "3.61," r4= "4.11," igr2= "527," "528," &end # # 1798 LYS+ QB 1798 LYS+ QE 5.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.51," r4= "6.01," igr1= "524," "525," igr2= "533," "534," &end # # 1798 LYS+ QB 1799 MET H 5.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "542," r1= "1.30," r2= "1.80," r3= "5.41," r4= "5.91," igr1= "524," "525," &end # # 1798 LYS+ QB 1802 VAL QG1 6.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.51," r4= "7.01," igr1= "524," "525," igr2= "611," "612," "613," &end # # 1798 LYS+ QB 3054 PHE QD 6.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.73," r4= "7.23," igr1= "524," "525," igr2= "1779," "1787," &end # # 1798 LYS+ QG 1802 VAL QG1 7.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.20," r4= "7.70," igr1= "527," "528," igr2= "611," "612," "613," &end # # 1798 LYS+ QG 3054 PHE QD 5.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.92," r4= "6.42," igr1= "527," "528," igr2= "1779," "1787," &end # # 1799 MET HA 1803 VAL QQG 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "544," "-1," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr2= "627," "628," "629," "631," "632," "633," &end # # 1799 MET HB- 1803 VAL QQG 6.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.50," r4= "7.00," igr1= "546," "547," igr2= "627," "628," "629," "631," "632," "633," &end # # 1799 MET HB+ 1803 VAL QQG 5.89 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.89," r4= "6.39," igr1= "546," "547," igr2= "627," "628," "629," "631," "632," "633," &end # # 1799 MET HG+ 1803 VAL QQG 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr1= "549," "550," igr2= "627," "628," "629," "631," "632," "633," &end # # 1799 MET QE 1826 LEU QQD 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "553," "554," "555," igr2= "980," "981," "982," "984," "985," "986," &end # # 1799 MET QE 3054 PHE QB 7.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.20," r4= "7.70," igr1= "553," "554," "555," igr2= "1775," "1776," &end # # 1800 LYS+ H 1800 LYS+ QG 3.81 (# ) &rst ixpk= "0," nxpk= "0," iat= "559," "-1," r1= "1.30," r2= "1.80," r3= "3.81," r4= "4.31," igr2= "566," "567," &end # # 1800 LYS+ HA 1800 LYS+ QE 5.47 (# ) &rst ixpk= "0," nxpk= "0," iat= "561," "-1," r1= "1.30," r2= "1.80," r3= "5.47," r4= "5.97," igr2= "572," "573," &end # # 1800 LYS+ HA 1803 VAL QQG 4.31 (# ) &rst ixpk= "0," nxpk= "0," iat= "561," "-1," r1= "1.30," r2= "1.80," r3= "4.31," r4= "4.81," igr2= "627," "628," "629," "631," "632," "633," &end # # 1800 LYS+ QB 1800 LYS+ QD 4.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.18," r4= "4.68," igr1= "563," "564," igr2= "569," "570," &end # # 1800 LYS+ QB 1800 LYS+ QE 4.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.98," r4= "5.48," igr1= "563," "564," igr2= "572," "573," &end # # 1800 LYS+ QG 1800 LYS+ QE 3.69 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.69," r4= "4.19," igr1= "566," "567," igr2= "572," "573," &end # # 1800 LYS+ QG 1803 VAL QQG 7.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.99," r4= "8.49," igr1= "566," "567," igr2= "627," "628," "629," "631," "632," "633," &end # # 1801 ARG+ H 1803 VAL QQG 7.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "581," "-1," r1= "1.30," r2= "1.80," r3= "7.20," r4= "7.70," igr2= "627," "628," "629," "631," "632," "633," &end # # 1801 ARG+ QB 1805 HIS QB 5.58 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.58," r4= "6.08," igr1= "585," "586," igr2= "658," "659," &end # # 1801 ARG+ QG 1805 HIS QB 6.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.73," r4= "7.23," igr1= "588," "589," igr2= "658," "659," &end # # 1802 VAL HA 1805 HIS QB 3.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "607," "-1," r1= "1.30," r2= "1.80," r3= "3.97," r4= "4.47," igr2= "658," "659," &end # # 1802 VAL HA 1819 VAL QQG 5.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "607," "-1," r1= "1.30," r2= "1.80," r3= "5.32," r4= "5.82," igr2= "864," "865," "866," "868," "869," "870," &end # # 1802 VAL HA 1823 LEU QQD 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "607," "-1," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr2= "932," "933," "934," "936," "937," "938," &end # # 1802 VAL HB 1819 VAL QQG 5.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "609," "-1," r1= "1.30," r2= "1.80," r3= "5.38," r4= "5.88," igr2= "864," "865," "866," "868," "869," "870," &end # # 1802 VAL QG1 1805 HIS QB 5.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.66," r4= "6.16," igr1= "611," "612," "613," igr2= "658," "659," &end # # 1802 VAL QG1 3054 PHE QB 7.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.20," r4= "7.70," igr1= "611," "612," "613," igr2= "1775," "1776," &end # # 1803 VAL H 1803 VAL QQG 5.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "621," "-1," r1= "1.30," r2= "1.80," r3= "5.32," r4= "5.82," igr2= "627," "628," "629," "631," "632," "633," &end # # 1803 VAL HA 1803 VAL QQG 3.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "623," "-1," r1= "1.30," r2= "1.80," r3= "3.52," r4= "4.02," igr2= "627," "628," "629," "631," "632," "633," &end # # 1803 VAL HA 1823 LEU QQD 4.58 (# ) &rst ixpk= "0," nxpk= "0," iat= "623," "-1," r1= "1.30," r2= "1.80," r3= "4.58," r4= "5.08," igr2= "932," "933," "934," "936," "937," "938," &end # # 1803 VAL HA 1842 PRO QG 4.75 (# ) &rst ixpk= "0," nxpk= "0," iat= "623," "-1," r1= "1.30," r2= "1.80," r3= "4.75," r4= "5.25," igr2= "1222," "1223," &end # # 1803 VAL QQG 1804 GLN HA 5.37 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "639," r1= "1.30," r2= "1.80," r3= "5.37," r4= "5.87," igr1= "627," "628," "629," "631," "632," "633," &end # # 1803 VAL QQG 1804 GLN QG 7.05 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.05," r4= "7.55," igr1= "627," "628," "629," "631," "632," "633," igr2= "644," "645," &end # # 1803 VAL QQG 1805 HIS H 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "654," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr1= "627," "628," "629," "631," "632," "633," &end # # 1803 VAL QQG 1806 THR QG2 6.22 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.22," r4= "6.72," igr1= "627," "628," "629," "631," "632," "633," igr2= "677," "678," "679," &end # # 1803 VAL QQG 1807 LYS+ QD 5.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.60," r4= "6.10," igr1= "627," "628," "629," "631," "632," "633," igr2= "695," "696," &end # # 1803 VAL QQG 1807 LYS+ QE 5.45 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.45," r4= "5.95," igr1= "627," "628," "629," "631," "632," "633," igr2= "698," "699," &end # # 1803 VAL QQG 1842 PRO HA 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1228," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr1= "627," "628," "629," "631," "632," "633," &end # # 1803 VAL QQG 1842 PRO HB+ 5.9 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.90," r4= "6.40," igr1= "627," "628," "629," "631," "632," "633," igr2= "1225," "1226," &end # # 1803 VAL QQG 1842 PRO QG 4.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.42," r4= "4.92," igr1= "627," "628," "629," "631," "632," "633," igr2= "1222," "1223," &end # # 1803 VAL QQG 1842 PRO QD 5.81 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.81," r4= "6.31," igr1= "627," "628," "629," "631," "632," "633," igr2= "1219," "1220," &end # # 1804 GLN H 1804 GLN QE2 5.59 (# ) &rst ixpk= "0," nxpk= "0," iat= "637," "-1," r1= "1.30," r2= "1.80," r3= "5.59," r4= "6.09," igr2= "649," "650," &end # # 1804 GLN HA 1807 LYS+ QG 4.36 (# ) &rst ixpk= "0," nxpk= "0," iat= "639," "-1," r1= "1.30," r2= "1.80," r3= "4.36," r4= "4.86," igr2= "692," "693," &end # # 1804 GLN QB 1805 HIS H 4.05 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "654," r1= "1.30," r2= "1.80," r3= "4.05," r4= "4.55," igr1= "641," "642," &end # # 1805 HIS H 1805 HIS QB 3.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "654," "-1," r1= "1.30," r2= "1.80," r3= "3.42," r4= "3.92," igr2= "658," "659," &end # # 1805 HIS H 1819 VAL QQG 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "654," "-1," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr2= "864," "865," "866," "868," "869," "870," &end # # 1805 HIS HA 1819 VAL QQG 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "656," "-1," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr2= "864," "865," "866," "868," "869," "870," &end # # 1805 HIS QB 1819 VAL QQG 6.4 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.40," r4= "6.90," igr1= "658," "659," igr2= "864," "865," "866," "868," "869," "870," &end # # 1805 HIS HD2 1819 VAL QQG 4.57 (# ) &rst ixpk= "0," nxpk= "0," iat= "667," "-1," r1= "1.30," r2= "1.80," r3= "4.57," r4= "5.07," igr2= "864," "865," "866," "868," "869," "870," &end # # 1805 HIS HD2 1823 LEU QQD 5.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "667," "-1," r1= "1.30," r2= "1.80," r3= "5.61," r4= "6.11," igr2= "932," "933," "934," "936," "937," "938," &end # # 1806 THR HA 1823 LEU QQD 6.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "673," "-1," r1= "1.30," r2= "1.80," r3= "6.38," r4= "6.88," igr2= "932," "933," "934," "936," "937," "938," &end # # 1806 THR HB 1819 VAL QQG 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "675," "-1," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr2= "864," "865," "866," "868," "869," "870," &end # # 1806 THR HB 1823 LEU QQD 4.62 (# ) &rst ixpk= "0," nxpk= "0," iat= "675," "-1," r1= "1.30," r2= "1.80," r3= "4.62," r4= "5.12," igr2= "932," "933," "934," "936," "937," "938," &end # # 1806 THR QG2 1812 LYS+ QE 7.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.20," r4= "7.70," igr1= "677," "678," "679," igr2= "783," "784," &end # # 1806 THR QG2 1823 LEU QQD 4.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.60," r4= "5.10," igr1= "677," "678," "679," igr2= "932," "933," "934," "936," "937," "938," &end # # 1807 LYS+ H 1807 LYS+ QG 3.39 (# ) &rst ixpk= "0," nxpk= "0," iat= "685," "-1," r1= "1.30," r2= "1.80," r3= "3.39," r4= "3.89," igr2= "692," "693," &end # # 1807 LYS+ HA 1807 LYS+ QG 3.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "687," "-1," r1= "1.30," r2= "1.80," r3= "3.92," r4= "4.42," igr2= "692," "693," &end # # 1807 LYS+ QB 1808 GLY QA 5.24 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.24," r4= "5.74," igr1= "689," "690," igr2= "709," "710," &end # # 1807 LYS+ QG 1807 LYS+ QE 4.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.23," r4= "4.73," igr1= "692," "693," igr2= "698," "699," &end # # 1807 LYS+ QG 1808 GLY H 5.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "707," r1= "1.30," r2= "1.80," r3= "5.42," r4= "5.92," igr1= "692," "693," &end # # 1807 LYS+ QE 1842 PRO QG 5.56 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.56," r4= "6.06," igr1= "698," "699," igr2= "1222," "1223," &end # # 1808 GLY QA 1809 CYS- HA 5.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "716," r1= "1.30," r2= "1.80," r3= "5.23," r4= "5.73," igr1= "709," "710," &end # # 1809 CYS- HB+ 1812 LYS+ QG 4.91 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.91," r4= "5.41," igr1= "719," "718," igr2= "777," "778," &end # # 1809 CYS- HB+ 1812 LYS+ QE 5.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.14," r4= "5.64," igr1= "719," "718," igr2= "783," "784," &end # # 1811 ARG+ H 1811 ARG+ QG 3.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "746," "-1," r1= "1.30," r2= "1.80," r3= "3.46," r4= "3.96," igr2= "753," "754," &end # # 1811 ARG+ HA 1811 ARG+ QG 3.95 (# ) &rst ixpk= "0," nxpk= "0," iat= "748," "-1," r1= "1.30," r2= "1.80," r3= "3.95," r4= "4.45," igr2= "753," "754," &end # # 1811 ARG+ QB 1816 GLY QA 5.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.93," r4= "6.43," igr1= "750," "751," igr2= "829," "830," &end # # 1811 ARG+ QG 1812 LYS+ H 5.31 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "770," r1= "1.30," r2= "1.80," r3= "5.31," r4= "5.81," igr1= "753," "754," &end # # 1811 ARG+ QG 1816 GLY H 5.29 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "827," r1= "1.30," r2= "1.80," r3= "5.29," r4= "5.79," igr1= "753," "754," &end # # 1811 ARG+ QG 1817 CYS- H 4.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "834," r1= "1.30," r2= "1.80," r3= "4.87," r4= "5.37," igr1= "753," "754," &end # # 1811 ARG+ QG 1817 CYS- HB+ 4.65 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.65," r4= "5.15," igr1= "753," "754," igr2= "839," "838," &end # # 1811 ARG+ QD 1818 PRO QD 6.1 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.10," r4= "6.60," igr1= "756," "757," igr2= "845," "846," &end # # 1812 LYS+ H 1812 LYS+ QG 4.94 (# ) &rst ixpk= "0," nxpk= "0," iat= "770," "-1," r1= "1.30," r2= "1.80," r3= "4.94," r4= "5.44," igr2= "777," "778," &end # # 1812 LYS+ HA 1812 LYS+ QG 3.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "772," "-1," r1= "1.30," r2= "1.80," r3= "3.87," r4= "4.37," igr2= "777," "778," &end # # 1812 LYS+ HA 1812 LYS+ QD 5.28 (# ) &rst ixpk= "0," nxpk= "0," iat= "772," "-1," r1= "1.30," r2= "1.80," r3= "5.28," r4= "5.78," igr2= "780," "781," &end # # 1812 LYS+ HA 1812 LYS+ QE 4.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "772," "-1," r1= "1.30," r2= "1.80," r3= "4.60," r4= "5.10," igr2= "783," "784," &end # # 1812 LYS+ HA 1819 VAL QQG 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "772," "-1," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr2= "864," "865," "866," "868," "869," "870," &end # # 1812 LYS+ HB- 1812 LYS+ QE 5.1 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.10," r4= "5.60," igr1= "774," "775," igr2= "783," "784," &end # # 1812 LYS+ QG 1812 LYS+ QE 3.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.98," r4= "4.48," igr1= "777," "778," igr2= "783," "784," &end # # 1812 LYS+ QG 1814 ASN QB 6.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.73," r4= "7.23," igr1= "777," "778," igr2= "810," "811," &end # # 1812 LYS+ QG 1817 CYS- HB- 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "777," "778," igr2= "839," "838," &end # # 1812 LYS+ QG 1820 CYSZ HB- 5.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.87," r4= "6.37," igr1= "777," "778," igr2= "879," "878," &end # # 1812 LYS+ QG 1820 CYSZ HB+ 5.26 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.26," r4= "5.76," igr1= "777," "778," igr2= "879," "878," &end # # 1812 LYS+ QD 1843 PHE QE 6.4 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.40," r4= "6.90," igr1= "780," "781," igr2= "1242," "1246," &end # # 1812 LYS+ QE 1813 THR QG2 5.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.86," r4= "6.36," igr1= "783," "784," igr2= "798," "799," "800," &end # # 1812 LYS+ QE 1843 PHE QE 5.1 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.10," r4= "5.60," igr1= "783," "784," igr2= "1242," "1246," &end # # 1813 THR HA 1821 LYS+ QB 4.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "794," "-1," r1= "1.30," r2= "1.80," r3= "4.92," r4= "5.42," igr2= "888," "889," &end # # 1813 THR HA 1821 LYS+ QG 4.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "794," "-1," r1= "1.30," r2= "1.80," r3= "4.53," r4= "5.03," igr2= "891," "892," &end # # 1813 THR HB 1821 LYS+ QB 5.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "796," "-1," r1= "1.30," r2= "1.80," r3= "5.43," r4= "5.93," igr2= "888," "889," &end # # 1813 THR HB 1824 ILE QG1 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "796," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr2= "952," "953," &end # # 1813 THR QG2 1814 ASN QD2 7.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.20," r4= "7.70," igr1= "798," "799," "800," igr2= "815," "816," &end # # 1814 ASN H 1814 ASN QD2 5.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "806," "-1," r1= "1.30," r2= "1.80," r3= "5.34," r4= "5.84," igr2= "815," "816," &end # # 1814 ASN QB 1814 ASN QD2 4.11 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.11," r4= "4.61," igr1= "810," "811," igr2= "815," "816," &end # # 1816 GLY QA 1817 CYS- H 3.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "834," r1= "1.30," r2= "1.80," r3= "3.38," r4= "3.88," igr1= "829," "830," &end # # 1816 GLY QA 1817 CYS- HB- 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "829," "830," igr2= "839," "838," &end # # 1817 CYS- HA 1818 PRO QB 5.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "836," "-1," r1= "1.30," r2= "1.80," r3= "5.30," r4= "5.80," igr2= "851," "852," &end # # 1817 CYS- HA 1818 PRO QD 3.22 (# ) &rst ixpk= "0," nxpk= "0," iat= "836," "-1," r1= "1.30," r2= "1.80," r3= "3.22," r4= "3.72," igr2= "845," "846," &end # # 1817 CYS- HA 1819 VAL QQG 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "836," "-1," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr2= "864," "865," "866," "868," "869," "870," &end # # 1817 CYS- HB- 1818 PRO QD 4.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.96," r4= "5.46," igr1= "839," "838," igr2= "845," "846," &end # # 1817 CYS- HB+ 1818 PRO QD 4.8 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.80," r4= "5.30," igr1= "839," "838," igr2= "845," "846," &end # # 1817 CYS- HB+ 1819 VAL QQG 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr1= "839," "838," igr2= "864," "865," "866," "868," "869," "870," &end # # 1818 PRO HA 1819 VAL QQG 6.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "854," "-1," r1= "1.30," r2= "1.80," r3= "6.73," r4= "7.23," igr2= "864," "865," "866," "868," "869," "870," &end # # 1818 PRO HA 1821 LYS+ QB 3.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "854," "-1," r1= "1.30," r2= "1.80," r3= "3.51," r4= "4.01," igr2= "888," "889," &end # # 1818 PRO HA 1821 LYS+ QG 4.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "854," "-1," r1= "1.30," r2= "1.80," r3= "4.97," r4= "5.47," igr2= "891," "892," &end # # 1818 PRO QB 1819 VAL H 4.27 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "858," r1= "1.30," r2= "1.80," r3= "4.27," r4= "4.77," igr1= "851," "852," &end # # 1818 PRO QB 1819 VAL QQG 7.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.85," r4= "8.35," igr1= "851," "852," igr2= "864," "865," "866," "868," "869," "870," &end # # 1818 PRO QG 1819 VAL QQG 5.48 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.48," r4= "5.98," igr1= "848," "849," igr2= "864," "865," "866," "868," "869," "870," &end # # 1818 PRO QD 1819 VAL H 4.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "858," r1= "1.30," r2= "1.80," r3= "4.19," r4= "4.69," igr1= "845," "846," &end # # 1818 PRO QD 1819 VAL QQG 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "845," "846," igr2= "864," "865," "866," "868," "869," "870," &end # # 1819 VAL H 1819 VAL QQG 3.91 (# ) &rst ixpk= "0," nxpk= "0," iat= "858," "-1," r1= "1.30," r2= "1.80," r3= "3.91," r4= "4.41," igr2= "864," "865," "866," "868," "869," "870," &end # # 1819 VAL HA 1819 VAL QQG 3.94 (# ) &rst ixpk= "0," nxpk= "0," iat= "860," "-1," r1= "1.30," r2= "1.80," r3= "3.94," r4= "4.44," igr2= "864," "865," "866," "868," "869," "870," &end # # 1819 VAL QQG 1820 CYSZ H 5.45 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "874," r1= "1.30," r2= "1.80," r3= "5.45," r4= "5.95," igr1= "864," "865," "866," "868," "869," "870," &end # # 1819 VAL QQG 1820 CYSZ HA 5.77 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "876," r1= "1.30," r2= "1.80," r3= "5.77," r4= "6.27," igr1= "864," "865," "866," "868," "869," "870," &end # # 1819 VAL QQG 1820 CYSZ HB- 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "864," "865," "866," "868," "869," "870," igr2= "879," "878," &end # # 1819 VAL QQG 1822 GLN QB 7.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.99," r4= "8.49," igr1= "864," "865," "866," "868," "869," "870," igr2= "910," "911," &end # # 1819 VAL QQG 3054 PHE HA 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1773," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr1= "864," "865," "866," "868," "869," "870," &end # # 1820 CYSZ HA 1823 LEU QQD 5.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "876," "-1," r1= "1.30," r2= "1.80," r3= "5.16," r4= "5.66," igr2= "932," "933," "934," "936," "937," "938," &end # # 1820 CYSZ HB- 1823 LEU QQD 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr1= "879," "878," igr2= "932," "933," "934," "936," "937," "938," &end # # 1820 CYSZ HB+ 1823 LEU QQD 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "879," "878," igr2= "932," "933," "934," "936," "937," "938," &end # # 1821 LYS+ H 1821 LYS+ QB 2.9 (# ) &rst ixpk= "0," nxpk= "0," iat= "884," "-1," r1= "1.30," r2= "1.80," r3= "2.90," r4= "3.40," igr2= "888," "889," &end # # 1821 LYS+ H 1821 LYS+ QG 4.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "884," "-1," r1= "1.30," r2= "1.80," r3= "4.50," r4= "5.00," igr2= "891," "892," &end # # 1821 LYS+ HA 1821 LYS+ QG 3.4 (# ) &rst ixpk= "0," nxpk= "0," iat= "886," "-1," r1= "1.30," r2= "1.80," r3= "3.40," r4= "3.90," igr2= "891," "892," &end # # 1821 LYS+ HA 1824 ILE QG1 5.39 (# ) &rst ixpk= "0," nxpk= "0," iat= "886," "-1," r1= "1.30," r2= "1.80," r3= "5.39," r4= "5.89," igr2= "952," "953," &end # # 1821 LYS+ QB 1822 GLN H 3.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "906," r1= "1.30," r2= "1.80," r3= "3.93," r4= "4.43," igr1= "888," "889," &end # # 1821 LYS+ QG 1821 LYS+ QE 4.03 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.03," r4= "4.53," igr1= "891," "892," igr2= "897," "898," &end # # 1821 LYS+ QG 1822 GLN H 5.29 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "906," r1= "1.30," r2= "1.80," r3= "5.29," r4= "5.79," igr1= "891," "892," &end # # 1822 GLN QB 1826 LEU QQD 8.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "8.23," r4= "8.73," igr1= "910," "911," igr2= "980," "981," "982," "984," "985," "986," &end # # 1823 LEU H 1823 LEU QQD 7.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "923," "-1," r1= "1.30," r2= "1.80," r3= "7.12," r4= "7.62," igr2= "932," "933," "934," "936," "937," "938," &end # # 1823 LEU HA 1823 LEU QQD 4.26 (# ) &rst ixpk= "0," nxpk= "0," iat= "925," "-1," r1= "1.30," r2= "1.80," r3= "4.26," r4= "4.76," igr2= "932," "933," "934," "936," "937," "938," &end # # 1823 LEU HA 1826 LEU QB 4.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "925," "-1," r1= "1.30," r2= "1.80," r3= "4.64," r4= "5.14," igr2= "975," "976," &end # # 1823 LEU HB+ 1823 LEU QQD 3.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.92," r4= "4.42," igr1= "927," "928," igr2= "932," "933," "934," "936," "937," "938," &end # # 1823 LEU HG 1827 CYS QB 5.28 (# ) &rst ixpk= "0," nxpk= "0," iat= "930," "-1," r1= "1.30," r2= "1.80," r3= "5.28," r4= "5.78," igr2= "994," "995," &end # # 1823 LEU QQD 1824 ILE QD1 8.81 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "8.81," r4= "9.31," igr1= "932," "933," "934," "936," "937," "938," igr2= "955," "956," "957," &end # # 1823 LEU QQD 1827 CYS QB 7.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.70," r4= "8.20," igr1= "932," "933," "934," "936," "937," "938," igr2= "994," "995," &end # # 1823 LEU QQD 1843 PHE HB- 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr1= "932," "933," "934," "936," "937," "938," igr2= "1236," "1237," &end # # 1823 LEU QQD 1843 PHE QE 5.08 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.08," r4= "5.58," igr1= "932," "933," "934," "936," "937," "938," igr2= "1242," "1246," &end # # 1823 LEU QQD 3054 PHE QE 7.75 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.75," r4= "8.25," igr1= "932," "933," "934," "936," "937," "938," igr2= "1781," "1785," &end # # 1824 ILE HA 1824 ILE QG1 3.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "944," "-1," r1= "1.30," r2= "1.80," r3= "3.52," r4= "4.02," igr2= "952," "953," &end # # 1824 ILE HA 1827 CYS QB 3.39 (# ) &rst ixpk= "0," nxpk= "0," iat= "944," "-1," r1= "1.30," r2= "1.80," r3= "3.39," r4= "3.89," igr2= "994," "995," &end # # 1824 ILE QG2 1824 ILE QG1 4.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.64," r4= "5.14," igr1= "948," "949," "950," igr2= "952," "953," &end # # 1824 ILE QG1 1827 CYS QB 6 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.00," r4= "6.50," igr1= "952," "953," igr2= "994," "995," &end # # 1824 ILE QG1 1843 PHE QD 5.44 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.44," r4= "5.94," igr1= "952," "953," igr2= "1240," "1248," &end # # 1824 ILE QG1 1843 PHE QE 6.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.73," r4= "7.23," igr1= "952," "953," igr2= "1242," "1246," &end # # 1824 ILE QD1 1827 CYS QB 6.04 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.04," r4= "6.54," igr1= "955," "956," "957," igr2= "994," "995," &end # # 1825 ALA HA 1828 CYS QB 4.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "963," "-1," r1= "1.30," r2= "1.80," r3= "4.14," r4= "4.64," igr2= "1005," "1006," &end # # 1825 ALA QB 1828 CYS QB 6.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.38," r4= "6.88," igr1= "965," "966," "967," igr2= "1005," "1006," &end # # 1825 ALA QB 3044 MET QG 7.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.20," r4= "7.70," igr1= "965," "966," "967," igr2= "1618," "1619," &end # # 1825 ALA QB 3045 LEU QQD 5.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.18," r4= "5.68," igr1= "965," "966," "967," igr2= "1637," "1638," "1639," "1641," "1642," "1643," &end # # 1826 LEU H 1826 LEU QQD 5.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "971," "-1," r1= "1.30," r2= "1.80," r3= "5.70," r4= "6.20," igr2= "980," "981," "982," "984," "985," "986," &end # # 1826 LEU HA 1826 LEU QB 2.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "973," "-1," r1= "1.30," r2= "1.80," r3= "2.92," r4= "3.42," igr2= "975," "976," &end # # 1826 LEU HA 1826 LEU QQD 4.45 (# ) &rst ixpk= "0," nxpk= "0," iat= "973," "-1," r1= "1.30," r2= "1.80," r3= "4.45," r4= "4.95," igr2= "980," "981," "982," "984," "985," "986," &end # # 1826 LEU QB 1826 LEU QQD 4.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.19," r4= "4.69," igr1= "975," "976," igr2= "980," "981," "982," "984," "985," "986," &end # # 1826 LEU QB 1827 CYS H 4.76 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "990," r1= "1.30," r2= "1.80," r3= "4.76," r4= "5.26," igr1= "975," "976," &end # # 1826 LEU QB 1829 TYR HB- 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "975," "976," igr2= "1016," "1017," &end # # 1826 LEU QB 3050 ILE QG2 7.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.20," r4= "7.70," igr1= "975," "976," igr2= "1702," "1703," "1704," &end # # 1826 LEU QB 3053 TRP HE3 5.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1766," r1= "1.30," r2= "1.80," r3= "5.92," r4= "6.42," igr1= "975," "976," &end # # 1826 LEU QB 3053 TRP HZ3 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1764," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "975," "976," &end # # 1826 LEU QB 3054 PHE QE 6.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.73," r4= "7.23," igr1= "975," "976," igr2= "1781," "1785," &end # # 1826 LEU QB 3054 PHE HZ 4.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1783," r1= "1.30," r2= "1.80," r3= "4.79," r4= "5.29," igr1= "975," "976," &end # # 1826 LEU QQD 3047 PRO HA 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1668," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr1= "980," "981," "982," "984," "985," "986," &end # # 1826 LEU QQD 3050 ILE HB 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1700," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr1= "980," "981," "982," "984," "985," "986," &end # # 1826 LEU QQD 3050 ILE QG2 5.63 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.63," r4= "6.13," igr1= "980," "981," "982," "984," "985," "986," igr2= "1702," "1703," "1704," &end # # 1826 LEU QQD 3050 ILE QD1 6.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.07," r4= "6.57," igr1= "980," "981," "982," "984," "985," "986," igr2= "1709," "1710," "1711," &end # # 1826 LEU QQD 3053 TRP QB 8.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "8.23," r4= "8.73," igr1= "980," "981," "982," "984," "985," "986," igr2= "1751," "1752," &end # # 1826 LEU QQD 3053 TRP HE3 5.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1766," r1= "1.30," r2= "1.80," r3= "5.55," r4= "6.05," igr1= "980," "981," "982," "984," "985," "986," &end # # 1826 LEU QQD 3053 TRP HZ3 6.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1764," r1= "1.30," r2= "1.80," r3= "6.86," r4= "7.36," igr1= "980," "981," "982," "984," "985," "986," &end # # 1826 LEU QQD 3053 TRP HZ2 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1760," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr1= "980," "981," "982," "984," "985," "986," &end # # 1826 LEU QQD 3053 TRP HH2 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1762," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr1= "980," "981," "982," "984," "985," "986," &end # # 1826 LEU QQD 3054 PHE QE 8.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "8.23," r4= "8.73," igr1= "980," "981," "982," "984," "985," "986," igr2= "1781," "1785," &end # # 1826 LEU QQD 3054 PHE HZ 4.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1783," r1= "1.30," r2= "1.80," r3= "4.46," r4= "4.96," igr1= "980," "981," "982," "984," "985," "986," &end # # 1827 CYS H 1827 CYS QB 3.63 (# ) &rst ixpk= "0," nxpk= "0," iat= "990," "-1," r1= "1.30," r2= "1.80," r3= "3.63," r4= "4.13," igr2= "994," "995," &end # # 1827 CYS QB 1828 CYS H 3.39 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1001," r1= "1.30," r2= "1.80," r3= "3.39," r4= "3.89," igr1= "994," "995," &end # # 1827 CYS QB 1843 PHE HB- 5.44 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.44," r4= "5.94," igr1= "994," "995," igr2= "1236," "1237," &end # # 1827 CYS QB 1843 PHE QD 4.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.33," r4= "4.83," igr1= "994," "995," igr2= "1240," "1248," &end # # 1827 CYS QB 1843 PHE QE 6.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.73," r4= "7.23," igr1= "994," "995," igr2= "1242," "1246," &end # # 1827 CYS QB 1847 ILE HG13 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1306," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "994," "995," &end # # 1828 CYS H 1828 CYS QB 3.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "1001," "-1," r1= "1.30," r2= "1.80," r3= "3.55," r4= "4.05," igr2= "1005," "1006," &end # # 1828 CYS HA 1851 LEU QQD 6.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "1003," "-1," r1= "1.30," r2= "1.80," r3= "6.97," r4= "7.47," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1828 CYS QB 1831 ALA QB 5.78 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.78," r4= "6.28," igr1= "1005," "1006," igr2= "1054," "1055," "1056," &end # # 1828 CYS QB 1847 ILE HB 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1299," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "1005," "1006," &end # # 1828 CYS QB 1847 ILE QG2 4.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.85," r4= "5.35," igr1= "1005," "1006," igr2= "1301," "1302," "1303," &end # # 1828 CYS QB 1847 ILE QD1 5.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.38," r4= "5.88," igr1= "1005," "1006," igr2= "1308," "1309," "1310," &end # # 1828 CYS QB 1851 LEU QQD 7.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.20," r4= "7.70," igr1= "1005," "1006," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1828 CYS QB 3044 MET QE 6.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.43," r4= "6.93," igr1= "1005," "1006," igr2= "1622," "1623," "1624," &end # # 1829 TYR H 3045 LEU QQD 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "1012," "-1," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr2= "1637," "1638," "1639," "1641," "1642," "1643," &end # # 1829 TYR HB- 3045 LEU QQD 5.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.96," r4= "6.46," igr1= "1016," "1017," igr2= "1637," "1638," "1639," "1641," "1642," "1643," &end # # 1829 TYR QD 3042 ASP- QB 6.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.73," r4= "7.23," igr1= "1020," "1029," igr2= "1584," "1585," &end # # 1829 TYR QD 3045 LEU QQD 6.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.19," r4= "6.69," igr1= "1020," "1029," igr2= "1637," "1638," "1639," "1641," "1642," "1643," &end # # 1829 TYR QE 3043 LEU QB 6.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.53," r4= "7.03," igr1= "1022," "1027," igr2= "1596," "1597," &end # # 1829 TYR QE 3043 LEU QQD 8.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "8.23," r4= "8.73," igr1= "1022," "1027," igr2= "1601," "1602," "1603," "1605," "1606," "1607," &end # # 1829 TYR QE 3044 MET QG 6.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.93," r4= "7.43," igr1= "1022," "1027," igr2= "1618," "1619," &end # # 1829 TYR QE 3045 LEU QQD 6.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.34," r4= "6.84," igr1= "1022," "1027," igr2= "1637," "1638," "1639," "1641," "1642," "1643," &end # # 1831 ALA HA 1851 LEU QQD 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "1052," "-1," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1831 ALA QB 1848 LYS+ QG 4.77 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.77," r4= "5.27," igr1= "1054," "1055," "1056," igr2= "1321," "1322," &end # # 1831 ALA QB 1851 LEU QQD 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "1054," "1055," "1056," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1832 LYS+ H 1851 LEU QQD 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "1060," "-1," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1832 LYS+ HA 1848 LYS+ QG 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "1062," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr2= "1321," "1322," &end # # 1832 LYS+ HA 1851 LEU QQD 4.08 (# ) &rst ixpk= "0," nxpk= "0," iat= "1062," "-1," r1= "1.30," r2= "1.80," r3= "4.08," r4= "4.58," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1832 LYS+ HB- 1851 LEU QQD 6.39 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.39," r4= "6.89," igr1= "1064," "1065," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1832 LYS+ HB+ 1851 LEU QQD 5.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.72," r4= "6.22," igr1= "1064," "1065," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1832 LYS+ HG- 1851 LEU QQD 4.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.73," r4= "5.23," igr1= "1067," "1068," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1832 LYS+ HG+ 1851 LEU QQD 5.08 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.08," r4= "5.58," igr1= "1067," "1068," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1832 LYS+ QE 1851 LEU QQD 6.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.34," r4= "6.84," igr1= "1073," "1074," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1834 CYS- HB- 1848 LYS+ QE 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "1105," "1104," igr2= "1327," "1328," &end # # 1834 CYS- HB+ 1848 LYS+ QE 4.28 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.28," r4= "4.78," igr1= "1105," "1104," igr2= "1327," "1328," &end # # 1835 GLN H 1835 GLN QG 5.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "1110," "-1," r1= "1.30," r2= "1.80," r3= "5.19," r4= "5.69," igr2= "1117," "1118," &end # # 1835 GLN HA 1835 GLN QB 2.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "1112," "-1," r1= "1.30," r2= "1.80," r3= "2.93," r4= "3.43," igr2= "1114," "1115," &end # # 1835 GLN QE2 1836 GLU- H 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1127," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "1122," "1123," &end # # 1836 GLU- H 1836 GLU- QB 3.29 (# ) &rst ixpk= "0," nxpk= "0," iat= "1127," "-1," r1= "1.30," r2= "1.80," r3= "3.29," r4= "3.79," igr2= "1131," "1132," &end # # 1836 GLU- H 1836 GLU- QG 4.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "1127," "-1," r1= "1.30," r2= "1.80," r3= "4.64," r4= "5.14," igr2= "1134," "1135," &end # # 1836 GLU- HA 1836 GLU- QG 3.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "1129," "-1," r1= "1.30," r2= "1.80," r3= "3.93," r4= "4.43," igr2= "1134," "1135," &end # # 1836 GLU- QB 1839 CYS- H 5.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1178," r1= "1.30," r2= "1.80," r3= "5.52," r4= "6.02," igr1= "1131," "1132," &end # # 1836 GLU- QB 1839 CYS- HA 4.05 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1180," r1= "1.30," r2= "1.80," r3= "4.05," r4= "4.55," igr1= "1131," "1132," &end # # 1836 GLU- QB 1839 CYS- HB- 3.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.64," r4= "4.14," igr1= "1131," "1132," igr2= "1183," "1182," &end # # 1836 GLU- QB 1839 CYS- HB+ 3.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.85," r4= "4.35," igr1= "1131," "1132," igr2= "1183," "1182," &end # # 1836 GLU- QB 1845 LEU QQD 7.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.73," r4= "8.23," igr1= "1131," "1132," igr2= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1836 GLU- QG 1838 LYS+ H 5.9 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1156," r1= "1.30," r2= "1.80," r3= "5.90," r4= "6.40," igr1= "1134," "1135," &end # # 1836 GLU- QG 1839 CYS- H 5.69 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1178," r1= "1.30," r2= "1.80," r3= "5.69," r4= "6.19," igr1= "1134," "1135," &end # # 1836 GLU- QG 1839 CYS- HA 4.28 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1180," r1= "1.30," r2= "1.80," r3= "4.28," r4= "4.78," igr1= "1134," "1135," &end # # 1836 GLU- QG 1839 CYS- HB- 4.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.32," r4= "4.82," igr1= "1134," "1135," igr2= "1183," "1182," &end # # 1836 GLU- QG 1839 CYS- HB+ 4.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.92," r4= "5.42," igr1= "1134," "1135," igr2= "1183," "1182," &end # # 1836 GLU- QG 1840 PRO QD 5.44 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.44," r4= "5.94," igr1= "1134," "1135," igr2= "1189," "1190," &end # # 1836 GLU- QG 1845 LEU QQD 7.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.34," r4= "7.84," igr1= "1134," "1135," igr2= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1837 ASN HA 1845 LEU QQD 6.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "1144," "-1," r1= "1.30," r2= "1.80," r3= "6.20," r4= "6.70," igr2= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1837 ASN QB 1838 LYS+ QB 5.08 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.08," r4= "5.58," igr1= "1146," "1147," igr2= "1160," "1161," &end # # 1837 ASN QB 1838 LYS+ QG 5.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.46," r4= "5.96," igr1= "1146," "1147," igr2= "1163," "1164," &end # # 1837 ASN QD2 1838 LYS+ QG 6.21 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.21," r4= "6.71," igr1= "1151," "1152," igr2= "1163," "1164," &end # # 1838 LYS+ H 1838 LYS+ QG 5.06 (# ) &rst ixpk= "0," nxpk= "0," iat= "1156," "-1," r1= "1.30," r2= "1.80," r3= "5.06," r4= "5.56," igr2= "1163," "1164," &end # # 1838 LYS+ HA 1845 LEU QQD 5.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "1158," "-1," r1= "1.30," r2= "1.80," r3= "5.16," r4= "5.66," igr2= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1838 LYS+ QB 1839 CYS- H 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1178," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "1160," "1161," &end # # 1838 LYS+ QG 1845 LEU QQD 6.37 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.37," r4= "6.87," igr1= "1163," "1164," igr2= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1839 CYS- H 1845 LEU QQD 6.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "1178," "-1," r1= "1.30," r2= "1.80," r3= "6.13," r4= "6.63," igr2= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1839 CYS- HA 1840 PRO QG 4.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "1180," "-1," r1= "1.30," r2= "1.80," r3= "4.99," r4= "5.49," igr2= "1192," "1193," &end # # 1839 CYS- HA 1840 PRO QD 3.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "1180," "-1," r1= "1.30," r2= "1.80," r3= "3.12," r4= "3.62," igr2= "1189," "1190," &end # # 1839 CYS- HA 1845 LEU QQD 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "1180," "-1," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr2= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1839 CYS- HB- 1845 LEU QQD 6.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.97," r4= "7.47," igr1= "1183," "1182," igr2= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1839 CYS- HB- 1848 LYS+ QE 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "1183," "1182," igr2= "1327," "1328," &end # # 1839 CYS- HB+ 1840 PRO QD 5.06 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.06," r4= "5.56," igr1= "1183," "1182," igr2= "1189," "1190," &end # # 1839 CYS- HB+ 1845 LEU QQD 4.95 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.95," r4= "5.45," igr1= "1183," "1182," igr2= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1839 CYS- HB+ 1848 LYS+ QE 5.03 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.03," r4= "5.53," igr1= "1183," "1182," igr2= "1327," "1328," &end # # 1840 PRO HA 1845 LEU QQD 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "1198," "-1," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr2= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1840 PRO QB 1841 VAL H 4.67 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1202," r1= "1.30," r2= "1.80," r3= "4.67," r4= "5.17," igr1= "1195," "1196," &end # # 1840 PRO QG 1841 VAL H 4.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1202," r1= "1.30," r2= "1.80," r3= "4.99," r4= "5.49," igr1= "1192," "1193," &end # # 1840 PRO QG 1841 VAL QG2 5.11 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.11," r4= "5.61," igr1= "1192," "1193," igr2= "1212," "1213," "1214," &end # # 1840 PRO QD 1841 VAL H 4.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1202," r1= "1.30," r2= "1.80," r3= "4.55," r4= "5.05," igr1= "1189," "1190," &end # # 1840 PRO QD 1841 VAL QG2 5.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.18," r4= "5.68," igr1= "1189," "1190," igr2= "1212," "1213," "1214," &end # # 1841 VAL HA 1842 PRO QD 3.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "1204," "-1," r1= "1.30," r2= "1.80," r3= "3.73," r4= "4.23," igr2= "1219," "1220," &end # # 1841 VAL HB 1842 PRO QD 5.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "1206," "-1," r1= "1.30," r2= "1.80," r3= "5.20," r4= "5.70," igr2= "1219," "1220," &end # # 1841 VAL QG1 1842 PRO QG 5.94 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.94," r4= "6.44," igr1= "1208," "1209," "1210," igr2= "1222," "1223," &end # # 1841 VAL QG1 1842 PRO QD 3.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.98," r4= "4.48," igr1= "1208," "1209," "1210," igr2= "1219," "1220," &end # # 1842 PRO QG 1843 PHE QD 5.39 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.39," r4= "5.89," igr1= "1222," "1223," igr2= "1240," "1248," &end # # 1842 PRO QG 1843 PHE QE 6.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.73," r4= "7.23," igr1= "1222," "1223," igr2= "1242," "1246," &end # # 1844 CYSZ HB- 1845 LEU QQD 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr1= "1257," "1256," igr2= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1844 CYSZ HB+ 1845 LEU QQD 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr1= "1257," "1256," igr2= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1845 LEU H 1845 LEU QQD 6.35 (# ) &rst ixpk= "0," nxpk= "0," iat= "1262," "-1," r1= "1.30," r2= "1.80," r3= "6.35," r4= "6.85," igr2= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1845 LEU HA 1845 LEU QQD 3.94 (# ) &rst ixpk= "0," nxpk= "0," iat= "1264," "-1," r1= "1.30," r2= "1.80," r3= "3.94," r4= "4.44," igr2= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1845 LEU HA 1848 LYS+ QB 3.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "1264," "-1," r1= "1.30," r2= "1.80," r3= "3.43," r4= "3.93," igr2= "1318," "1319," &end # # 1845 LEU HA 1848 LYS+ QG 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "1264," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr2= "1321," "1322," &end # # 1845 LEU HA 1848 LYS+ QE 3.95 (# ) &rst ixpk= "0," nxpk= "0," iat= "1264," "-1," r1= "1.30," r2= "1.80," r3= "3.95," r4= "4.45," igr2= "1327," "1328," &end # # 1845 LEU HB+ 1845 LEU QQD 3.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.96," r4= "4.46," igr1= "1266," "1267," igr2= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1845 LEU QQD 1846 ASN HA 6.56 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1283," r1= "1.30," r2= "1.80," r3= "6.56," r4= "7.06," igr1= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1845 LEU QQD 1848 LYS+ QB 7.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.20," r4= "7.70," igr1= "1271," "1272," "1273," "1275," "1276," "1277," igr2= "1318," "1319," &end # # 1845 LEU QQD 1848 LYS+ QG 7.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.99," r4= "8.49," igr1= "1271," "1272," "1273," "1275," "1276," "1277," igr2= "1321," "1322," &end # # 1845 LEU QQD 1848 LYS+ QD 7.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.96," r4= "8.46," igr1= "1271," "1272," "1273," "1275," "1276," "1277," igr2= "1324," "1325," &end # # 1845 LEU QQD 1848 LYS+ QE 5.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.19," r4= "5.69," igr1= "1271," "1272," "1273," "1275," "1276," "1277," igr2= "1327," "1328," &end # # 1845 LEU QQD 1849 HIS QB 8.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "8.23," r4= "8.73," igr1= "1271," "1272," "1273," "1275," "1276," "1277," igr2= "1340," "1341," &end # # 1845 LEU QQD 1849 HIS HD2 7.08 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1350," r1= "1.30," r2= "1.80," r3= "7.08," r4= "7.58," igr1= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1845 LEU QQD 1849 HIS HE1 7.05 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1346," r1= "1.30," r2= "1.80," r3= "7.05," r4= "7.55," igr1= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1847 ILE HA 1851 LEU QQD 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "1297," "-1," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1847 ILE QG2 1848 LYS+ QG 7.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.20," r4= "7.70," igr1= "1301," "1302," "1303," igr2= "1321," "1322," &end # # 1848 LYS+ H 1848 LYS+ QB 3.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "1314," "-1," r1= "1.30," r2= "1.80," r3= "3.96," r4= "4.46," igr2= "1318," "1319," &end # # 1848 LYS+ H 1848 LYS+ QG 4.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "1314," "-1," r1= "1.30," r2= "1.80," r3= "4.85," r4= "5.35," igr2= "1321," "1322," &end # # 1848 LYS+ H 1851 LEU QQD 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "1314," "-1," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1848 LYS+ HA 1848 LYS+ QG 3.65 (# ) &rst ixpk= "0," nxpk= "0," iat= "1316," "-1," r1= "1.30," r2= "1.80," r3= "3.65," r4= "4.15," igr2= "1321," "1322," &end # # 1848 LYS+ HA 1848 LYS+ QE 5.59 (# ) &rst ixpk= "0," nxpk= "0," iat= "1316," "-1," r1= "1.30," r2= "1.80," r3= "5.59," r4= "6.09," igr2= "1327," "1328," &end # # 1848 LYS+ HA 1851 LEU QQD 4.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "1316," "-1," r1= "1.30," r2= "1.80," r3= "4.84," r4= "5.34," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1848 LYS+ QB 1848 LYS+ QE 3.54 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.54," r4= "4.04," igr1= "1318," "1319," igr2= "1327," "1328," &end # # 1848 LYS+ QB 1849 HIS H 3.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1336," r1= "1.30," r2= "1.80," r3= "3.92," r4= "4.42," igr1= "1318," "1319," &end # # 1848 LYS+ QB 1849 HIS HA 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1338," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "1318," "1319," &end # # 1848 LYS+ QB 1849 HIS HD2 5.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1350," r1= "1.30," r2= "1.80," r3= "5.98," r4= "6.48," igr1= "1318," "1319," &end # # 1848 LYS+ QG 1848 LYS+ QE 4.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.17," r4= "4.67," igr1= "1321," "1322," igr2= "1327," "1328," &end # # 1848 LYS+ QG 1851 LEU QQD 5.89 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.89," r4= "6.39," igr1= "1321," "1322," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1849 HIS HA 1852 ARG+ QG 5.03 (# ) &rst ixpk= "0," nxpk= "0," iat= "1338," "-1," r1= "1.30," r2= "1.80," r3= "5.03," r4= "5.53," igr2= "1402," "1403," &end # # 1849 HIS QB 1852 ARG+ QG 6.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.73," r4= "7.23," igr1= "1340," "1341," igr2= "1402," "1403," &end # # 1850 LYS+ HG+ 1851 LEU QQD 5.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.01," r4= "5.51," igr1= "1361," "1362," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1850 LYS+ QE 1851 LEU QQD 6.76 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.76," r4= "7.26," igr1= "1367," "1368," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1851 LEU H 1851 LEU QQD 5.47 (# ) &rst ixpk= "0," nxpk= "0," iat= "1376," "-1," r1= "1.30," r2= "1.80," r3= "5.47," r4= "5.97," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1851 LEU HA 1851 LEU QQD 3.59 (# ) &rst ixpk= "0," nxpk= "0," iat= "1378," "-1," r1= "1.30," r2= "1.80," r3= "3.59," r4= "4.09," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1851 LEU HB+ 1851 LEU QQD 4.04 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.04," r4= "4.54," igr1= "1380," "1381," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1851 LEU QQD 1852 ARG+ H 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1395," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1851 LEU QQD 1854 GLN QG 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1385," "1386," "1387," "1389," "1390," "1391," igr2= "1443," "1444," &end # # 1851 LEU QQD 1854 GLN HA 7.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1438," r1= "1.30," r2= "1.80," r3= "7.55," r4= "8.05," igr1= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1851 LEU QQD 1854 GLN QE2 7.22 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.22," r4= "7.72," igr1= "1385," "1386," "1387," "1389," "1390," "1391," igr2= "1448," "1449," &end # # 1852 ARG+ H 1852 ARG+ QB 4.1 (# ) &rst ixpk= "0," nxpk= "0," iat= "1395," "-1," r1= "1.30," r2= "1.80," r3= "4.10," r4= "4.60," igr2= "1399," "1400," &end # # 1852 ARG+ H 1852 ARG+ QG 3.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "1395," "-1," r1= "1.30," r2= "1.80," r3= "3.30," r4= "3.80," igr2= "1402," "1403," &end # # 1852 ARG+ HA 1852 ARG+ QG 3.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "1397," "-1," r1= "1.30," r2= "1.80," r3= "3.83," r4= "4.33," igr2= "1402," "1403," &end # # 1853 GLN H 1853 GLN QB 3.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "1419," "-1," r1= "1.30," r2= "1.80," r3= "3.51," r4= "4.01," igr2= "1423," "1424," &end # # 1853 GLN QB 1854 GLN H 4.77 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1436," r1= "1.30," r2= "1.80," r3= "4.77," r4= "5.27," igr1= "1423," "1424," &end # # 1853 GLN QE2 1854 GLN H 5.62 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1436," r1= "1.30," r2= "1.80," r3= "5.62," r4= "6.12," igr1= "1431," "1432," &end # # 1854 GLN H 1854 GLN QE2 4.04 (# ) &rst ixpk= "0," nxpk= "0," iat= "1436," "-1," r1= "1.30," r2= "1.80," r3= "4.04," r4= "4.54," igr2= "1448," "1449," &end # # 1854 GLN QE2 1855 GLN H 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1453," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "1448," "1449," &end # # 1855 GLN QB 2001 GLY QA 5.22 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.22," r4= "5.72," igr1= "1457," "1458," igr2= "1472," "1473," &end # # 1855 GLN QG 2001 GLY QA 6.04 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.04," r4= "6.54," igr1= "1460," "1461," igr2= "1472," "1473," &end # # 2005 GLY QA 3037 SER HA 4.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1515," r1= "1.30," r2= "1.80," r3= "4.64," r4= "5.14," igr1= "1508," "1509," &end # # 3038 GLN QB 3039 ALA H 4.77 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1541," r1= "1.30," r2= "1.80," r3= "4.77," r4= "5.27," igr1= "1528," "1529," &end # # 3038 GLN QB 3039 ALA HA 5.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1543," r1= "1.30," r2= "1.80," r3= "5.12," r4= "5.62," igr1= "1528," "1529," &end # # 3038 GLN QB 3039 ALA QB 7.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.20," r4= "7.70," igr1= "1528," "1529," igr2= "1545," "1546," "1547," &end # # 3040 MET H 3040 MET QG 5.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "1551," "-1," r1= "1.30," r2= "1.80," r3= "5.16," r4= "5.66," igr2= "1558," "1559," &end # # 3040 MET HA 3040 MET QG 4.04 (# ) &rst ixpk= "0," nxpk= "0," iat= "1553," "-1," r1= "1.30," r2= "1.80," r3= "4.04," r4= "4.54," igr2= "1558," "1559," &end # # 3040 MET QB 3041 ASP- H 4.29 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1568," r1= "1.30," r2= "1.80," r3= "4.29," r4= "4.79," igr1= "1555," "1556," &end # # 3041 ASP- HA 3043 LEU QQD 7.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "1570," "-1," r1= "1.30," r2= "1.80," r3= "7.33," r4= "7.83," igr2= "1601," "1602," "1603," "1605," "1606," "1607," &end # # 3041 ASP- QB 3043 LEU QB 5.39 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.39," r4= "5.89," igr1= "1572," "1573," igr2= "1596," "1597," &end # # 3041 ASP- QB 3043 LEU QQD 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1572," "1573," igr2= "1601," "1602," "1603," "1605," "1606," "1607," &end # # 3042 ASP- H 3042 ASP- QB 3.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "1580," "-1," r1= "1.30," r2= "1.80," r3= "3.20," r4= "3.70," igr2= "1584," "1585," &end # # 3042 ASP- QB 3043 LEU HA 5.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1594," r1= "1.30," r2= "1.80," r3= "5.92," r4= "6.42," igr1= "1584," "1585," &end # # 3042 ASP- QB 3045 LEU QQD 7.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.99," r4= "8.49," igr1= "1584," "1585," igr2= "1637," "1638," "1639," "1641," "1642," "1643," &end # # 3043 LEU H 3043 LEU QB 3.27 (# ) &rst ixpk= "0," nxpk= "0," iat= "1592," "-1," r1= "1.30," r2= "1.80," r3= "3.27," r4= "3.77," igr2= "1596," "1597," &end # # 3043 LEU H 3043 LEU QQD 5.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "1592," "-1," r1= "1.30," r2= "1.80," r3= "5.97," r4= "6.47," igr2= "1601," "1602," "1603," "1605," "1606," "1607," &end # # 3043 LEU HA 3043 LEU QQD 5.04 (# ) &rst ixpk= "0," nxpk= "0," iat= "1594," "-1," r1= "1.30," r2= "1.80," r3= "5.04," r4= "5.54," igr2= "1601," "1602," "1603," "1605," "1606," "1607," &end # # 3043 LEU HA 3045 LEU QQD 4.69 (# ) &rst ixpk= "0," nxpk= "0," iat= "1594," "-1," r1= "1.30," r2= "1.80," r3= "4.69," r4= "5.19," igr2= "1637," "1638," "1639," "1641," "1642," "1643," &end # # 3043 LEU QB 3043 LEU QQD 4.25 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.25," r4= "4.75," igr1= "1596," "1597," igr2= "1601," "1602," "1603," "1605," "1606," "1607," &end # # 3043 LEU QB 3044 MET HA 5.49 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1613," r1= "1.30," r2= "1.80," r3= "5.49," r4= "5.99," igr1= "1596," "1597," &end # # 3044 MET H 3044 MET QG 3.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "1611," "-1," r1= "1.30," r2= "1.80," r3= "3.43," r4= "3.93," igr2= "1618," "1619," &end # # 3044 MET HA 3045 LEU QQD 6.82 (# ) &rst ixpk= "0," nxpk= "0," iat= "1613," "-1," r1= "1.30," r2= "1.80," r3= "6.82," r4= "7.32," igr2= "1637," "1638," "1639," "1641," "1642," "1643," &end # # 3044 MET QB 3045 LEU QQD 6.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.51," r4= "7.01," igr1= "1615," "1616," igr2= "1637," "1638," "1639," "1641," "1642," "1643," &end # # 3044 MET QG 3044 MET QE 4.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.64," r4= "5.14," igr1= "1618," "1619," igr2= "1622," "1623," "1624," &end # # 3044 MET QG 3045 LEU HB- 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "1618," "1619," igr2= "1632," "1633," &end # # 3044 MET QG 3045 LEU HB+ 5.26 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.26," r4= "5.76," igr1= "1618," "1619," igr2= "1632," "1633," &end # # 3044 MET QG 3045 LEU QQD 6.04 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.04," r4= "6.54," igr1= "1618," "1619," igr2= "1637," "1638," "1639," "1641," "1642," "1643," &end # # 3045 LEU HA 3045 LEU QQD 5.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "1630," "-1," r1= "1.30," r2= "1.80," r3= "5.12," r4= "5.62," igr2= "1637," "1638," "1639," "1641," "1642," "1643," &end # # 3045 LEU HB+ 3045 LEU QQD 4.08 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.08," r4= "4.58," igr1= "1632," "1633," igr2= "1637," "1638," "1639," "1641," "1642," "1643," &end # # 3045 LEU QQD 3046 SER QB 7.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.34," r4= "7.84," igr1= "1637," "1638," "1639," "1641," "1642," "1643," igr2= "1651," "1652," &end # # 3045 LEU QQD 3047 PRO QD 6.69 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.69," r4= "7.19," igr1= "1637," "1638," "1639," "1641," "1642," "1643," igr2= "1659," "1660," &end # # 3045 LEU QQD 3049 ASP- QB 6.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.87," r4= "7.37," igr1= "1637," "1638," "1639," "1641," "1642," "1643," igr2= "1688," "1689," &end # # 3045 LEU QQD 3050 ILE QG2 6.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.83," r4= "7.33," igr1= "1637," "1638," "1639," "1641," "1642," "1643," igr2= "1702," "1703," "1704," &end # # 3045 LEU QQD 3053 TRP HE3 6.54 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1766," r1= "1.30," r2= "1.80," r3= "6.54," r4= "7.04," igr1= "1637," "1638," "1639," "1641," "1642," "1643," &end # # 3045 LEU QQD 3053 TRP HE1 7 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1757," r1= "1.30," r2= "1.80," r3= "7.00," r4= "7.50," igr1= "1637," "1638," "1639," "1641," "1642," "1643," &end # # 3045 LEU QQD 3053 TRP HZ3 5.54 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1764," r1= "1.30," r2= "1.80," r3= "5.54," r4= "6.04," igr1= "1637," "1638," "1639," "1641," "1642," "1643," &end # # 3045 LEU QQD 3053 TRP HZ2 5.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1760," r1= "1.30," r2= "1.80," r3= "5.32," r4= "5.82," igr1= "1637," "1638," "1639," "1641," "1642," "1643," &end # # 3046 SER HA 3047 PRO QD 3.1 (# ) &rst ixpk= "0," nxpk= "0," iat= "1649," "-1," r1= "1.30," r2= "1.80," r3= "3.10," r4= "3.60," igr2= "1659," "1660," &end # # 3046 SER QB 3048 ASP- H 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1672," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "1651," "1652," &end # # 3046 SER QB 3048 ASP- QB 6.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.53," r4= "7.03," igr1= "1651," "1652," igr2= "1676," "1677," &end # # 3046 SER QB 3049 ASP- QB 4.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.86," r4= "5.36," igr1= "1651," "1652," igr2= "1688," "1689," &end # # 3046 SER QB 3050 ILE QG2 6.35 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.35," r4= "6.85," igr1= "1651," "1652," igr2= "1702," "1703," "1704," &end # # 3046 SER QB 3053 TRP HZ2 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1760," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "1651," "1652," &end # # 3047 PRO QB 3050 ILE QG2 6.78 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.78," r4= "7.28," igr1= "1665," "1666," igr2= "1702," "1703," "1704," &end # # 3047 PRO QB 3050 ILE QD1 5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.00," r4= "5.50," igr1= "1665," "1666," igr2= "1709," "1710," "1711," &end # # 3047 PRO QG 3048 ASP- QB 6.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.38," r4= "6.88," igr1= "1662," "1663," igr2= "1676," "1677," &end # # 3047 PRO QD 3048 ASP- H 5.65 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1672," r1= "1.30," r2= "1.80," r3= "5.65," r4= "6.15," igr1= "1659," "1660," &end # # 3047 PRO QD 3048 ASP- QB 6.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.53," r4= "7.03," igr1= "1659," "1660," igr2= "1676," "1677," &end # # 3047 PRO QD 3049 ASP- QB 6.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.73," r4= "7.23," igr1= "1659," "1660," igr2= "1688," "1689," &end # # 3047 PRO QD 3050 ILE QG2 7.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.20," r4= "7.70," igr1= "1659," "1660," igr2= "1702," "1703," "1704," &end # # 3048 ASP- HA 3051 GLU- QG 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "1674," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr2= "1722," "1723," &end # # 3048 ASP- QB 3049 ASP- H 3.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1684," r1= "1.30," r2= "1.80," r3= "3.96," r4= "4.46," igr1= "1676," "1677," &end # # 3048 ASP- QB 3051 GLU- H 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1715," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "1676," "1677," &end # # 3048 ASP- QB 3051 GLU- HB- 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "1676," "1677," igr2= "1719," "1720," &end # # 3049 ASP- HA 3052 GLN QG 4.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "1686," "-1," r1= "1.30," r2= "1.80," r3= "4.84," r4= "5.34," igr2= "1737," "1738," &end # # 3049 ASP- QB 3052 GLN QG 6.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.73," r4= "7.23," igr1= "1688," "1689," igr2= "1737," "1738," &end # # 3050 ILE QG2 3051 GLU- QG 7.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.20," r4= "7.70," igr1= "1702," "1703," "1704," igr2= "1722," "1723," &end # # 3050 ILE HG12 3051 GLU- QG 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "1706," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr2= "1722," "1723," &end # # 3050 ILE HG13 3051 GLU- QG 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "1707," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr2= "1722," "1723," &end # # 3051 GLU- H 3051 GLU- QG 4.75 (# ) &rst ixpk= "0," nxpk= "0," iat= "1715," "-1," r1= "1.30," r2= "1.80," r3= "4.75," r4= "5.25," igr2= "1722," "1723," &end # # 3051 GLU- HA 3051 GLU- QG 3.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "1717," "-1," r1= "1.30," r2= "1.80," r3= "3.60," r4= "4.10," igr2= "1722," "1723," &end # # 3052 GLN H 3052 GLN QG 4.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "1730," "-1," r1= "1.30," r2= "1.80," r3= "4.99," r4= "5.49," igr2= "1737," "1738," &end # # 3052 GLN HA 3052 GLN QG 4.21 (# ) &rst ixpk= "0," nxpk= "0," iat= "1732," "-1," r1= "1.30," r2= "1.80," r3= "4.21," r4= "4.71," igr2= "1737," "1738," &end # # 3055 THR HB 3056 GLU- QG 5.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "1795," "-1," r1= "1.30," r2= "1.80," r3= "5.88," r4= "6.38," igr2= "1812," "1813," &end # # 3056 GLU- H 3056 GLU- QG 3.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "1805," "-1," r1= "1.30," r2= "1.80," r3= "3.98," r4= "4.48," igr2= "1812," "1813," &end # # 3056 GLU- HA 3056 GLU- QG 3.89 (# ) &rst ixpk= "0," nxpk= "0," iat= "1807," "-1," r1= "1.30," r2= "1.80," r3= "3.89," r4= "4.39," igr2= "1812," "1813," &end # # 3056 GLU- QB 3057 ASP- H 5.11 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1820," r1= "1.30," r2= "1.80," r3= "5.11," r4= "5.61," igr1= "1809," "1810," &end # # 3056 GLU- QB 3057 ASP- HA 5.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1822," r1= "1.30," r2= "1.80," r3= "5.84," r4= "6.34," igr1= "1809," "1810," &end # # 3057 ASP- HA 3058 PRO QG 4.82 (# ) &rst ixpk= "0," nxpk= "0," iat= "1822," "-1," r1= "1.30," r2= "1.80," r3= "4.82," r4= "5.32," igr2= "1836," "1837," &end # # 3058 PRO QB 3059 GLY H 3.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1846," r1= "1.30," r2= "1.80," r3= "3.92," r4= "4.42," igr1= "1839," "1840," &end # # 3059 GLY H 3060 PRO QD 5.25 (# ) &rst ixpk= "0," nxpk= "0," iat= "1846," "-1," r1= "1.30," r2= "1.80," r3= "5.25," r4= "5.75," igr2= "1854," "1855," &end # # 3059 GLY QA 3060 PRO QG 4.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.99," r4= "5.49," igr1= "1848," "1849," igr2= "1857," "1858," &end # # 3059 GLY QA 3060 PRO QD 3.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.16," r4= "3.66," igr1= "1848," "1849," igr2= "1854," "1855," &end # # 3060 PRO QB 3061 ASP- H 4.39 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1867," r1= "1.30," r2= "1.80," r3= "4.39," r4= "4.89," igr1= "1860," "1861," &end # # 3060 PRO QD 3061 ASP- H 5.65 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1867," r1= "1.30," r2= "1.80," r3= "5.65," r4= "6.15," igr1= "1854," "1855," &end # # 3061 ASP- H 3061 ASP- QB 3.49 (# ) &rst ixpk= "0," nxpk= "0," iat= "1867," "-1," r1= "1.30," r2= "1.80," r3= "3.49," r4= "3.99," igr2= "1871," "1872," &end # # 1839 CYS- H 1841 VAL H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1178," "1202," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1796 CYSZ H 1798 LYS+ HB- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "493," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "524," "525," &end # # 1809 CYS- H 1812 LYS+ QE 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "714," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "783," "784," &end # # 1824 ILE H 1824 ILE HG13 4 (# ) &rst ixpk= "0," nxpk= "0," iat= "942," "953," r1= "1.30," r2= "1.80," r3= "4.00," r4= "4.50," &end # # 1846 ASN H 1844 CYSZ QB 5.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "1281," "-1," r1= "1.30," r2= "1.80," r3= "5.61," r4= "6.11," igr2= "1257," "1256," &end # # 1849 HIS H 1848 LYS+ QD 5.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "1336," "-1," r1= "1.30," r2= "1.80," r3= "5.88," r4= "6.38," igr2= "1324," "1325," &end # # 1801 ARG+ H 1798 LYS+ HA 3.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "581," "522," r1= "1.30," r2= "1.80," r3= "3.85," r4= "4.35," &end # # 3040 MET H 3038 GLN HA 4 (# ) &rst ixpk= "0," nxpk= "0," iat= "1551," "1526," r1= "1.30," r2= "1.80," r3= "4.00," r4= "4.50," &end # # 1774 GLN H 1772 SER HA 5 (# ) &rst ixpk= "0," nxpk= "0," iat= "167," "139," r1= "1.30," r2= "1.80," r3= "5.00," r4= "5.50," &end # # 3048 ASP- H 3045 LEU QQD 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "1672," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr2= "1637," "1638," "1639," "1641," "1642," "1643," &end # # 1784 CYS H 1786 CYS- QB 5.28 (# ) &rst ixpk= "0," nxpk= "0," iat= "328," "-1," r1= "1.30," r2= "1.80," r3= "5.28," r4= "5.78," igr2= "361," "360," &end # # 1766 GLN HE2- 1769 ARG+ H 5.37 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "70," r1= "1.30," r2= "1.80," r3= "5.37," r4= "5.87," igr1= "39," "40," &end # # 1766 GLN HE2- 1770 ARG+ QB 4.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.53," r4= "5.03," igr1= "39," "40," igr2= "98," "99," &end # # 3052 GLN HE2- 3049 ASP- H 5.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1684," r1= "1.30," r2= "1.80," r3= "5.16," r4= "5.66," igr1= "1742," "1743," &end # # 1766 GLN HE2+ 1769 ARG+ H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "70," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "39," "40," &end # # 1825 ALA QB 3045 LEU HA 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1630," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "965," "966," "967," &end # # 1849 HIS HA 1852 ARG+ QB 4.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "1338," "-1," r1= "1.30," r2= "1.80," r3= "4.52," r4= "5.02," igr2= "1399," "1400," &end # # 1829 TYR HB+ 3045 LEU QQD 5.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.93," r4= "6.43," igr1= "1016," "1017," igr2= "1637," "1638," "1639," "1641," "1642," "1643," &end # # 1824 ILE QG1 1820 CYSZ HA 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "876," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "952," "953," &end # # 1824 ILE QG2 3044 MET QG 8.09 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "8.09," r4= "8.59," igr1= "948," "949," "950," igr2= "1618," "1619," &end # # 1773 ILE HB 1770 ARG+ QD 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "152," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "104," "105," &end # # 1773 ILE HA 3054 PHE QE 7.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "150," "-1," r1= "1.30," r2= "1.80," r3= "7.30," r4= "7.80," igr2= "1781," "1785," &end # # 1841 VAL HB 1781 VAL QG2 5.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "1206," "-1," r1= "1.30," r2= "1.80," r3= "5.19," r4= "5.69," igr2= "295," "296," "297," &end # # 1803 VAL QG1 1843 PHE QE 7.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.01," r4= "7.51," igr1= "627," "628," "629," igr2= "1242," "1246," &end # # 1803 VAL QG2 1784 CYS HB- 5.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.60," r4= "6.10," igr1= "631," "632," "633," igr2= "332," "333," &end # # 1819 VAL HA 3054 PHE QE 5.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "860," "-1," r1= "1.30," r2= "1.80," r3= "5.84," r4= "6.34," igr2= "1781," "1785," &end # # 1819 VAL QG2 3054 PHE QD 6.54 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.54," r4= "7.04," igr1= "868," "869," "870," igr2= "1779," "1787," &end # # 1819 VAL QG2 3054 PHE QD 6.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.34," r4= "6.84," igr1= "868," "869," "870," igr2= "1779," "1787," &end # # 1779 SER QB 1826 LEU QQD 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "259," "260," igr2= "980," "981," "982," "984," "985," "986," &end # # 1832 LYS+ HB- 1829 TYR HA 4.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1014," r1= "1.30," r2= "1.80," r3= "4.50," r4= "5.00," igr1= "1064," "1065," &end # # 1771 LEU QQD 1774 GLN HG+ 5.75 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.75," r4= "6.25," igr1= "127," "128," "129," "131," "132," "133," igr2= "174," "175," &end # # 1812 LYS+ HB+ 1814 ASN QB 4.68 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.68," r4= "5.18," igr1= "774," "775," igr2= "810," "811," &end # # 3039 ALA QB 3043 LEU QQD 7.62 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.62," r4= "8.12," igr1= "1545," "1546," "1547," igr2= "1601," "1602," "1603," "1605," "1606," "1607," &end # # 1767 GLU- HA 1770 ARG+ QD 3.91 (# ) &rst ixpk= "0," nxpk= "0," iat= "46," "-1," r1= "1.30," r2= "1.80," r3= "3.91," r4= "4.41," igr2= "104," "105," &end # # 1775 ARG+ QG 3050 ILE QD1 4.56 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.56," r4= "5.06," igr1= "191," "192," igr2= "1709," "1710," "1711," &end # # 3055 THR HA 1798 LYS+ QD 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "1793," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "530," "531," &end # # 3050 ILE HG12 1775 ARG+ QD 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "1706," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "194," "195," &end # # 3050 ILE QG2 1769 ARG+ QD 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "1702," "1703," "1704," igr2= "80," "81," &end # # 3042 ASP- HB+ 1832 LYS+ HB+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "1584," "1585," igr2= "1064," "1065," &end # # 3047 PRO HD+ 1769 ARG+ HG+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "1659," "1660," igr2= "77," "78," &end # # 3046 SER HA 1769 ARG+ QG 5.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "1649," "-1," r1= "1.30," r2= "1.80," r3= "5.30," r4= "5.80," igr2= "77," "78," &end # # 3044 MET QE 3053 TRP HE3 7.81 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1766," r1= "1.30," r2= "1.80," r3= "7.81," r4= "8.31," igr1= "1622," "1623," "1624," &end # # 3040 MET QE 3037 SER QB 6.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.07," r4= "6.57," igr1= "1562," "1563," "1564," igr2= "1517," "1518," &end # # 3040 MET HA 3043 LEU QQD 6.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "1553," "-1," r1= "1.30," r2= "1.80," r3= "6.07," r4= "6.57," igr2= "1601," "1602," "1603," "1605," "1606," "1607," &end # # 3054 PHE QE 1819 VAL HA 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "860," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1781," "1785," &end # # 3045 LEU QB 1825 ALA HA 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "963," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1632," "1633," &end # # 3044 MET HA 3043 LEU QQD 5.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "1613," "-1," r1= "1.30," r2= "1.80," r3= "5.66," r4= "6.16," igr2= "1601," "1602," "1603," "1605," "1606," "1607," &end # # 3045 LEU QQD 1826 LEU HA 5.57 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "973," r1= "1.30," r2= "1.80," r3= "5.57," r4= "6.07," igr1= "1637," "1638," "1639," "1641," "1642," "1643," &end # # 3045 LEU QQD 1769 ARG HD+ 5.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.01," r4= "5.51," igr1= "1637," "1638," "1639," "1641," "1642," "1643," igr2= "80," "81," &end # # 3045 LEU QQD 1829 TYR QD 5.89 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.89," r4= "6.39," igr1= "1637," "1638," "1639," "1641," "1642," "1643," igr2= "1020," "1029," &end # # 3052 GLN HG+ 3055 THR QG2 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1737," "1738," igr2= "1797," "1798," "1799," &end # # 3052 GLN HA 3055 THR QG2 5.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "1732," "-1," r1= "1.30," r2= "1.80," r3= "5.14," r4= "5.64," igr2= "1797," "1798," "1799," &end # # 1804 GLN HB- 1801 ARG+ HA 4.63 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "583," r1= "1.30," r2= "1.80," r3= "4.63," r4= "5.13," igr1= "641," "642," &end # # 3038 GLN HA 3041 ASP- QB 4.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "1526," "-1," r1= "1.30," r2= "1.80," r3= "4.43," r4= "4.93," igr2= "1572," "1573," &end # # 1795 SER HB- 1799 MET QE 4.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.70," r4= "5.20," igr1= "486," "487," igr2= "553," "554," "555," &end # # 1795 SER HB- 1793 LEU HB- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "486," "487," igr2= "453," "454," &end # # 1779 SER QB 1793 LEU QB 6.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.93," r4= "7.43," igr1= "259," "260," igr2= "453," "454," &end # # 1775 ARG+ QD 3050 ILE QD1 4.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.88," r4= "5.38," igr1= "194," "195," igr2= "1709," "1710," "1711," &end # # 1799 MET HG- 3054 PHE QD 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "549," "550," igr2= "1779," "1787," &end # # 1838 LYS+ QD 1849 HIS HD2 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1350," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1166," "1167," &end # # 1825 ALA HA 1828 CYS HB+ 4 (# ) &rst ixpk= "0," nxpk= "0," iat= "963," "-1," r1= "1.30," r2= "1.80," r3= "4.00," r4= "4.50," igr2= "1005," "1006," &end # # 3052 GLN HE2- 3048 ASP- H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1672," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "1742," "1743," &end # # 3049 ASP- QB 3053 TRP HD1 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1755," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1688," "1689," &end # # 3049 ASP- QB 3053 TRP HZ2 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1760," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1688," "1689," &end # # 3040 MET HA 3043 LEU QB 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "1553," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "1596," "1597," &end # # 3053 TRP HH2 3045 LEU HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1762," "1630," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end #
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