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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601781 |
5hpd   |
30004 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# Restraints file 1: taz2p53.RST # # 1815 GLY HA- 1816 GLY H 3.35 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "827," r1= "1.30," r2= "1.80," r3= "3.35," r4= "3.85," rk2= "30.0," rk3= "30.0," ir6= "1," ialtd= "0," igr1= "822," "823," &end # # 1811 ARG+ QG 1816 GLY H 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "827," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "753," "754," &end # # 1816 GLY H 3025 LEU QQD 5.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "827," "-1," r1= "1.30," r2= "1.80," r3= "5.93," r4= "6.43," igr2= "1885," "1886," "1887," "1889," "1890," "1891," &end # # 1850 LYS+ HA 3023 TRP HE1 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1356," "1840," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1854 GLN QG 3023 TRP HE1 5.47 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1840," r1= "1.30," r2= "1.80," r3= "5.47," r4= "5.97," igr1= "1443," "1444," &end # # 1851 LEU QQD 3023 TRP HE1 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1840," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 3053 TRP H 3053 TRP HE1 5.27 (# ) &rst ixpk= "0," nxpk= "0," iat= "2298," "2308," r1= "1.30," r2= "1.80," r3= "5.27," r4= "5.77," &end # # 3053 TRP HA 3053 TRP HE1 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "2300," "2308," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 3045 LEU QQD 3053 TRP HE1 7.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2308," r1= "1.30," r2= "1.80," r3= "7.32," r4= "7.82," igr1= "2188," "2189," "2190," "2192," "2193," "2194," &end # # 1835 GLN H 1836 GLU- H 3.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "1110," "1127," r1= "1.30," r2= "1.80," r3= "3.16," r4= "3.66," &end # # 1809 CYS- H 1810 LYS+ H 4.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "714," "724," r1= "1.30," r2= "1.80," r3= "4.93," r4= "5.43," &end # # 1835 GLN H 1836 GLU- HA 5.15 (# ) &rst ixpk= "0," nxpk= "0," iat= "1110," "1129," r1= "1.30," r2= "1.80," r3= "5.15," r4= "5.65," &end # # 1834 CYS- HA 1835 GLN H 3.15 (# ) &rst ixpk= "0," nxpk= "0," iat= "1102," "1110," r1= "1.30," r2= "1.80," r3= "3.15," r4= "3.65," &end # # 1835 GLN H 1835 GLN QB 4.09 (# ) &rst ixpk= "0," nxpk= "0," iat= "1110," "-1," r1= "1.30," r2= "1.80," r3= "4.09," r4= "4.59," igr2= "1114," "1115," &end # # 1792 SER H 1793 LEU H 3.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "438," "449," r1= "1.30," r2= "1.80," r3= "3.19," r4= "3.69," &end # # 1793 LEU H 1797 GLN H 4.77 (# ) &rst ixpk= "0," nxpk= "0," iat= "449," "503," r1= "1.30," r2= "1.80," r3= "4.77," r4= "5.27," &end # # 1792 SER HA 1793 LEU H 3.49 (# ) &rst ixpk= "0," nxpk= "0," iat= "440," "449," r1= "1.30," r2= "1.80," r3= "3.49," r4= "3.99," &end # # 1793 LEU H 1793 LEU HA 2.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "449," "451," r1= "1.30," r2= "1.80," r3= "2.92," r4= "3.42," &end # # 1791 CYS- HA 1793 LEU H 4.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "430," "449," r1= "1.30," r2= "1.80," r3= "4.53," r4= "5.03," &end # # 1793 LEU H 1794 PRO HD- 4.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "449," "-1," r1= "1.30," r2= "1.80," r3= "4.96," r4= "5.46," igr2= "469," "470," &end # # 1793 LEU H 1796 CYSZ HB+ 3.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "449," "-1," r1= "1.30," r2= "1.80," r3= "3.88," r4= "4.38," igr2= "498," "497," &end # # 1791 CYS- QB 1793 LEU H 4.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "449," r1= "1.30," r2= "1.80," r3= "4.61," r4= "5.11," igr1= "433," "432," &end # # 1793 LEU H 1797 GLN HG- 4.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "449," "-1," r1= "1.30," r2= "1.80," r3= "4.86," r4= "5.36," igr2= "510," "511," &end # # 1793 LEU H 1797 GLN QB 5.95 (# ) &rst ixpk= "0," nxpk= "0," iat= "449," "-1," r1= "1.30," r2= "1.80," r3= "5.95," r4= "6.45," igr2= "507," "508," &end # # 1793 LEU H 1793 LEU HG 3.29 (# ) &rst ixpk= "0," nxpk= "0," iat= "449," "456," r1= "1.30," r2= "1.80," r3= "3.29," r4= "3.79," &end # # 1793 LEU H 1793 LEU HB- 3 (# ) &rst ixpk= "0," nxpk= "0," iat= "449," "-1," r1= "1.30," r2= "1.80," r3= "3.00," r4= "3.50," igr2= "453," "454," &end # # 1787 ARG+ H 1788 ASN H 3.67 (# ) &rst ixpk= "0," nxpk= "0," iat= "366," "390," r1= "1.30," r2= "1.80," r3= "3.67," r4= "4.17," &end # # 1786 CYS- HA 1787 ARG+ H 3.31 (# ) &rst ixpk= "0," nxpk= "0," iat= "358," "366," r1= "1.30," r2= "1.80," r3= "3.31," r4= "3.81," &end # # 1787 ARG+ H 1787 ARG+ QD 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "366," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "376," "377," &end # # 1786 CYS- HB+ 1787 ARG+ H 4.58 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "366," r1= "1.30," r2= "1.80," r3= "4.58," r4= "5.08," igr1= "361," "360," &end # # 1787 ARG+ H 1787 ARG+ HB+ 3.89 (# ) &rst ixpk= "0," nxpk= "0," iat= "366," "-1," r1= "1.30," r2= "1.80," r3= "3.89," r4= "4.39," igr2= "370," "371," &end # # 1786 CYS- HB- 1787 ARG+ H 4.57 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "366," r1= "1.30," r2= "1.80," r3= "4.57," r4= "5.07," igr1= "361," "360," &end # # 1787 ARG+ H 1787 ARG+ HB- 3.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "366," "-1," r1= "1.30," r2= "1.80," r3= "3.73," r4= "4.23," igr2= "370," "371," &end # # 1787 ARG+ H 1787 ARG+ HG- 4.02 (# ) &rst ixpk= "0," nxpk= "0," iat= "366," "-1," r1= "1.30," r2= "1.80," r3= "4.02," r4= "4.52," igr2= "373," "374," &end # # 1830 HIS HE1 1841 VAL H 5.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "1043," "1202," r1= "1.30," r2= "1.80," r3= "5.70," r4= "6.20," &end # # 1830 HIS HD2 1841 VAL H 5.47 (# ) &rst ixpk= "0," nxpk= "0," iat= "1046," "1202," r1= "1.30," r2= "1.80," r3= "5.47," r4= "5.97," &end # # 1839 CYS- HA 1841 VAL H 5.02 (# ) &rst ixpk= "0," nxpk= "0," iat= "1180," "1202," r1= "1.30," r2= "1.80," r3= "5.02," r4= "5.52," &end # # 1840 PRO HD+ 1841 VAL H 3.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1202," r1= "1.30," r2= "1.80," r3= "3.84," r4= "4.34," igr1= "1189," "1190," &end # # 1781 VAL HA 1841 VAL H 5 (# ) &rst ixpk= "0," nxpk= "0," iat= "287," "1202," r1= "1.30," r2= "1.80," r3= "5.00," r4= "5.50," &end # # 1839 CYS- QB 1841 VAL H 4.49 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1202," r1= "1.30," r2= "1.80," r3= "4.49," r4= "4.99," igr1= "1183," "1182," &end # # 1840 PRO QB 1841 VAL H 4.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1202," r1= "1.30," r2= "1.80," r3= "4.19," r4= "4.69," igr1= "1195," "1196," &end # # 1840 PRO QG 1841 VAL H 4.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1202," r1= "1.30," r2= "1.80," r3= "4.19," r4= "4.69," igr1= "1192," "1193," &end # # 1841 VAL H 1841 VAL HB 2.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "1202," "1206," r1= "1.30," r2= "1.80," r3= "2.72," r4= "3.22," &end # # 1840 PRO HG- 1841 VAL H 3.78 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1202," r1= "1.30," r2= "1.80," r3= "3.78," r4= "4.28," igr1= "1192," "1193," &end # # 1781 VAL QG2 1841 VAL H 4.04 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1202," r1= "1.30," r2= "1.80," r3= "4.04," r4= "4.54," igr1= "295," "296," "297," &end # # 1841 VAL H 1841 VAL QG1 4.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "1202," "-1," r1= "1.30," r2= "1.80," r3= "4.64," r4= "5.14," igr2= "1208," "1209," "1210," &end # # 1841 VAL H 1841 VAL QG2 3.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "1202," "-1," r1= "1.30," r2= "1.80," r3= "3.33," r4= "3.83," igr2= "1212," "1213," "1214," &end # # 1780 LEU H 1781 VAL H 3.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "266," "285," r1= "1.30," r2= "1.80," r3= "3.17," r4= "3.67," &end # # 1779 SER HB- 1780 LEU H 3.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "266," r1= "1.30," r2= "1.80," r3= "3.60," r4= "4.10," igr1= "259," "260," &end # # 1777 ILE HA 1780 LEU H 3.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "221," "266," r1= "1.30," r2= "1.80," r3= "3.84," r4= "4.34," &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 1782 HIS QB 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "266," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "305," "306," &end # # 1780 LEU H 1799 MET HG+ 4.57 (# ) &rst ixpk= "0," nxpk= "0," iat= "266," "-1," r1= "1.30," r2= "1.80," r3= "4.57," r4= "5.07," igr2= "549," "550," &end # # 1780 LEU H 1799 MET HG- 4.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "266," "-1," r1= "1.30," r2= "1.80," r3= "4.51," r4= "5.01," igr2= "549," "550," &end # # 1780 LEU H 1780 LEU HB+ 2.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "266," "-1," r1= "1.30," r2= "1.80," r3= "2.97," r4= "3.47," igr2= "270," "271," &end # # 1780 LEU H 1799 MET QE 4.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "266," "-1," r1= "1.30," r2= "1.80," r3= "4.61," r4= "5.11," igr2= "553," "554," "555," &end # # 1780 LEU H 1780 LEU HB- 3.1 (# ) &rst ixpk= "0," nxpk= "0," iat= "266," "-1," r1= "1.30," r2= "1.80," r3= "3.10," r4= "3.60," igr2= "270," "271," &end # # 1780 LEU H 1780 LEU HG 4.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "266," "273," r1= "1.30," r2= "1.80," r3= "4.73," r4= "5.23," &end # # 1780 LEU H 1781 VAL QG2 5.54 (# ) &rst ixpk= "0," nxpk= "0," iat= "266," "-1," r1= "1.30," r2= "1.80," r3= "5.54," r4= "6.04," igr2= "295," "296," "297," &end # # 1780 LEU H 1826 LEU QQD 5.81 (# ) &rst ixpk= "0," nxpk= "0," iat= "266," "-1," r1= "1.30," r2= "1.80," r3= "5.81," r4= "6.31," igr2= "980," "981," "982," "984," "985," "986," &end # # 1780 LEU H 1780 LEU QQD 5.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "266," "-1," r1= "1.30," r2= "1.80," r3= "5.51," r4= "6.01," igr2= "275," "276," "277," "279," "280," "281," &end # # 1807 LYS+ HB+ 1808 GLY H 3.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "707," r1= "1.30," r2= "1.80," r3= "3.98," r4= "4.48," igr1= "689," "690," &end # # 1806 THR QG2 1808 GLY H 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "707," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "677," "678," "679," &end # # 1793 LEU H 1796 CYSZ H 5.28 (# ) &rst ixpk= "0," nxpk= "0," iat= "449," "493," r1= "1.30," r2= "1.80," r3= "5.28," r4= "5.78," &end # # 1793 LEU HA 1796 CYSZ H 4.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "451," "493," r1= "1.30," r2= "1.80," r3= "4.73," r4= "5.23," &end # # 1794 PRO HA 1796 CYSZ H 4.56 (# ) &rst ixpk= "0," nxpk= "0," iat= "478," "493," r1= "1.30," r2= "1.80," r3= "4.56," r4= "5.06," &end # # 1796 CYSZ H 1796 CYSZ HB+ 2.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "493," "-1," r1= "1.30," r2= "1.80," r3= "2.93," r4= "3.43," igr2= "498," "497," &end # # 1796 CYSZ H 1796 CYSZ HB- 3.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "493," "-1," r1= "1.30," r2= "1.80," r3= "3.01," r4= "3.51," igr2= "498," "497," &end # # 1793 LEU HB+ 1796 CYSZ H 3.37 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "493," r1= "1.30," r2= "1.80," r3= "3.37," r4= "3.87," igr1= "453," "454," &end # # 1793 LEU HB- 1796 CYSZ H 4.08 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "493," r1= "1.30," r2= "1.80," r3= "4.08," r4= "4.58," igr1= "453," "454," &end # # 1793 LEU QQD 1796 CYSZ H 4.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "493," r1= "1.30," r2= "1.80," r3= "4.96," r4= "5.46," igr1= "458," "459," "460," "462," "463," "464," &end # # 1838 LYS+ H 1839 CYS- H 4.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "1156," "1178," r1= "1.30," r2= "1.80," r3= "4.38," r4= "4.88," &end # # 1839 CYS- H 1839 CYS- QB 3.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "1178," "-1," r1= "1.30," r2= "1.80," r3= "3.52," r4= "4.02," igr2= "1183," "1182," &end # # 1836 GLU- HB+ 1839 CYS- H 5.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1178," r1= "1.30," r2= "1.80," r3= "5.46," r4= "5.96," igr1= "1131," "1132," &end # # 1838 LYS+ QD 1839 CYS- H 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1178," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1166," "1167," &end # # 1839 CYS- H 1845 LEU QQD 5.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "1178," "-1," r1= "1.30," r2= "1.80," r3= "5.55," r4= "6.05," igr2= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1844 CYSZ H 1844 CYSZ QB 3.81 (# ) &rst ixpk= "0," nxpk= "0," iat= "1252," "-1," r1= "1.30," r2= "1.80," r3= "3.81," r4= "4.31," igr2= "1257," "1256," &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 4.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "1050," "1100," r1= "1.30," r2= "1.80," r3= "4.97," r4= "5.47," &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 4.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "1060," "1100," r1= "1.30," r2= "1.80," r3= "4.30," r4= "4.80," &end # # 1833 HIS HA 1834 CYS- H 3.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "1084," "1100," r1= "1.30," r2= "1.80," r3= "3.46," r4= "3.96," &end # # 1832 LYS+ HA 1834 CYS- H 4.45 (# ) &rst ixpk= "0," nxpk= "0," iat= "1062," "1100," r1= "1.30," r2= "1.80," r3= "4.45," r4= "4.95," &end # # 1833 HIS HB+ 1834 CYS- H 4.1 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1100," r1= "1.30," r2= "1.80," r3= "4.10," r4= "4.60," igr1= "1086," "1087," &end # # 1833 HIS HB- 1834 CYS- H 3.69 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1100," r1= "1.30," r2= "1.80," r3= "3.69," r4= "4.19," igr1= "1086," "1087," &end # # 1834 CYS- H 1834 CYS- HB+ 2.78 (# ) &rst ixpk= "0," nxpk= "0," iat= "1100," "-1," r1= "1.30," r2= "1.80," r3= "2.78," r4= "3.28," igr2= "1105," "1104," &end # # 1834 CYS- H 1834 CYS- HB- 2.82 (# ) &rst ixpk= "0," nxpk= "0," iat= "1100," "-1," r1= "1.30," r2= "1.80," r3= "2.82," r4= "3.32," igr2= "1105," "1104," &end # # 1831 ALA QB 1834 CYS- H 5.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1100," r1= "1.30," r2= "1.80," r3= "5.52," r4= "6.02," igr1= "1054," "1055," "1056," &end # # 1786 CYS- H 1787 ARG+ H 4.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "356," "366," r1= "1.30," r2= "1.80," r3= "4.53," r4= "5.03," &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 4.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "328," "356," r1= "1.30," r2= "1.80," r3= "4.18," r4= "4.68," &end # # 1785 GLN HA 1786 CYS- H 3.68 (# ) &rst ixpk= "0," nxpk= "0," iat= "341," "356," r1= "1.30," r2= "1.80," r3= "3.68," r4= "4.18," &end # # 1783 ALA HA 1786 CYS- H 3.56 (# ) &rst ixpk= "0," nxpk= "0," iat= "320," "356," r1= "1.30," r2= "1.80," r3= "3.56," r4= "4.06," &end # # 1786 CYS- H 1800 LYS+ HE+ 4.49 (# ) &rst ixpk= "0," nxpk= "0," iat= "356," "-1," r1= "1.30," r2= "1.80," r3= "4.49," r4= "4.99," igr2= "572," "573," &end # # 1786 CYS- H 1800 LYS+ HE- 5.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "356," "-1," r1= "1.30," r2= "1.80," r3= "5.14," r4= "5.64," igr2= "572," "573," &end # # 1786 CYS- H 1786 CYS- HB+ 2.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "356," "-1," r1= "1.30," r2= "1.80," r3= "2.99," r4= "3.49," igr2= "361," "360," &end # # 1785 GLN HG- 1786 CYS- H 4.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "356," r1= "1.30," r2= "1.80," r3= "4.83," r4= "5.33," igr1= "346," "347," &end # # 1786 CYS- H 1786 CYS- HB- 3.1 (# ) &rst ixpk= "0," nxpk= "0," iat= "356," "-1," r1= "1.30," r2= "1.80," r3= "3.10," r4= "3.60," igr2= "361," "360," &end # # 1783 ALA QB 1786 CYS- H 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "356," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "322," "323," "324," &end # # 1789 ALA H 1791 CYS- H 5.21 (# ) &rst ixpk= "0," nxpk= "0," iat= "404," "428," r1= "1.30," r2= "1.80," r3= "5.21," r4= "5.71," &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 2.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "414," "428," r1= "1.30," r2= "1.80," r3= "2.88," r4= "3.38," &end # # 1788 ASN HD2+ 1791 CYS- H 3.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "428," r1= "1.30," r2= "1.80," r3= "3.74," r4= "4.24," igr1= "399," "400," &end # # 1790 ASN HA 1791 CYS- H 3.44 (# ) &rst ixpk= "0," nxpk= "0," iat= "416," "428," r1= "1.30," r2= "1.80," r3= "3.44," r4= "3.94," &end # # 1791 CYS- H 1791 CYS- QB 2.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "428," "-1," r1= "1.30," r2= "1.80," r3= "2.93," r4= "3.43," igr2= "433," "432," &end # # 1790 ASN HB- 1791 CYS- H 4.4 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "428," r1= "1.30," r2= "1.80," r3= "4.40," r4= "4.90," igr1= "418," "419," &end # # 1789 ALA QB 1791 CYS- H 5.49 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "428," r1= "1.30," r2= "1.80," r3= "5.49," r4= "5.99," igr1= "408," "409," "410," &end # # 1809 CYS- H 1809 CYS- HA 2.91 (# ) &rst ixpk= "0," nxpk= "0," iat= "714," "716," r1= "1.30," r2= "1.80," r3= "2.91," r4= "3.41," &end # # 1809 CYS- H 1809 CYS- HB+ 3.11 (# ) &rst ixpk= "0," nxpk= "0," iat= "714," "-1," r1= "1.30," r2= "1.80," r3= "3.11," r4= "3.61," igr2= "719," "718," &end # # 1809 CYS- H 1809 CYS- HB- 3.11 (# ) &rst ixpk= "0," nxpk= "0," iat= "714," "-1," r1= "1.30," r2= "1.80," r3= "3.11," r4= "3.61," igr2= "719," "718," &end # # 3061 ASP- H 3061 ASP- HB+ 3.71 (# ) &rst ixpk= "0," nxpk= "0," iat= "2418," "-1," r1= "1.30," r2= "1.80," r3= "3.71," r4= "4.21," igr2= "2422," "2423," &end # # 3061 ASP- H 3061 ASP- HB- 3.71 (# ) &rst ixpk= "0," nxpk= "0," iat= "2418," "-1," r1= "1.30," r2= "1.80," r3= "3.71," r4= "4.21," igr2= "2422," "2423," &end # # 3060 PRO HB+ 3061 ASP- H 3.81 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2418," r1= "1.30," r2= "1.80," r3= "3.81," r4= "4.31," igr1= "2411," "2412," &end # # 3060 PRO HB- 3061 ASP- H 3.81 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2418," r1= "1.30," r2= "1.80," r3= "3.81," r4= "4.31," igr1= "2411," "2412," &end # # 3060 PRO QG 3061 ASP- H 4.31 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2418," r1= "1.30," r2= "1.80," r3= "4.31," r4= "4.81," igr1= "2408," "2409," &end # # 1791 CYS- H 1792 SER H 4.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "428," "438," r1= "1.30," r2= "1.80," r3= "4.52," r4= "5.02," &end # # 1791 CYS- HA 1792 SER H 2.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "430," "438," r1= "1.30," r2= "1.80," r3= "2.98," r4= "3.48," &end # # 1791 CYS- QB 1792 SER H 4.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "438," r1= "1.30," r2= "1.80," r3= "4.66," r4= "5.16," igr1= "433," "432," &end # # 1792 SER H 1793 LEU HG 5.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "438," "456," r1= "1.30," r2= "1.80," r3= "5.19," r4= "5.69," &end # # 1820 CYSZ H 1821 LYS+ H 4.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "874," "884," r1= "1.30," r2= "1.80," r3= "4.16," r4= "4.66," &end # # 1820 CYSZ H 1820 CYSZ HB+ 3.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "874," "-1," r1= "1.30," r2= "1.80," r3= "3.70," r4= "4.20," igr2= "879," "878," &end # # 1820 CYSZ H 1820 CYSZ HB- 3.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "874," "-1," r1= "1.30," r2= "1.80," r3= "3.16," r4= "3.66," igr2= "879," "878," &end # # 1819 VAL HB 1820 CYSZ H 3.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "862," "874," r1= "1.30," r2= "1.80," r3= "3.19," r4= "3.69," &end # # 1819 VAL QG1 1820 CYSZ H 4.62 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "874," r1= "1.30," r2= "1.80," r3= "4.62," r4= "5.12," igr1= "864," "865," "866," &end # # 1819 VAL QG2 1820 CYSZ H 5.26 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "874," r1= "1.30," r2= "1.80," r3= "5.26," r4= "5.76," igr1= "868," "869," "870," &end # # 1834 CYS- HA 1836 GLU- H 4.36 (# ) &rst ixpk= "0," nxpk= "0," iat= "1102," "1127," r1= "1.30," r2= "1.80," r3= "4.36," r4= "4.86," &end # # 1836 GLU- H 1839 CYS- QB 5.9 (# ) &rst ixpk= "0," nxpk= "0," iat= "1127," "-1," r1= "1.30," r2= "1.80," r3= "5.90," r4= "6.40," igr2= "1183," "1182," &end # # 1836 GLU- H 1836 GLU- HB+ 3.39 (# ) &rst ixpk= "0," nxpk= "0," iat= "1127," "-1," r1= "1.30," r2= "1.80," r3= "3.39," r4= "3.89," igr2= "1131," "1132," &end # # 1836 GLU- H 1836 GLU- HB- 3.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "1127," "-1," r1= "1.30," r2= "1.80," r3= "3.13," r4= "3.63," igr2= "1131," "1132," &end # # 3038 GLN HA 3039 ALA H 2.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "2077," "2092," r1= "1.30," r2= "1.80," r3= "2.92," r4= "3.42," &end # # 3038 GLN QG 3039 ALA H 5.48 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2092," r1= "1.30," r2= "1.80," r3= "5.48," r4= "5.98," igr1= "2082," "2083," &end # # 3038 GLN HB- 3039 ALA H 4.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2092," r1= "1.30," r2= "1.80," r3= "4.60," r4= "5.10," igr1= "2079," "2080," &end # # 3039 ALA H 3039 ALA QB 3.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "2092," "-1," r1= "1.30," r2= "1.80," r3= "3.55," r4= "4.05," igr2= "2096," "2097," "2098," &end # # 3038 GLN HB+ 3039 ALA H 4.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2092," r1= "1.30," r2= "1.80," r3= "4.60," r4= "5.10," igr1= "2079," "2080," &end # # 3015 SER QB 3016 GLN H 4.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1722," r1= "1.30," r2= "1.80," r3= "4.34," r4= "4.84," igr1= "1715," "1716," &end # # 3016 GLN H 3016 GLN QB 3.94 (# ) &rst ixpk= "0," nxpk= "0," iat= "1722," "-1," r1= "1.30," r2= "1.80," r3= "3.94," r4= "4.44," igr2= "1726," "1727," &end # # 1829 TYR HA 1833 HIS H 4.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "1014," "1082," r1= "1.30," r2= "1.80," r3= "4.86," r4= "5.36," &end # # 1831 ALA HA 1833 HIS H 5.36 (# ) &rst ixpk= "0," nxpk= "0," iat= "1052," "1082," r1= "1.30," r2= "1.80," r3= "5.36," r4= "5.86," &end # # 1833 HIS H 1833 HIS HB+ 3.59 (# ) &rst ixpk= "0," nxpk= "0," iat= "1082," "-1," r1= "1.30," r2= "1.80," r3= "3.59," r4= "4.09," igr2= "1086," "1087," &end # # 1833 HIS H 1833 HIS HB- 3.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "1082," "-1," r1= "1.30," r2= "1.80," r3= "3.23," r4= "3.73," igr2= "1086," "1087," &end # # 1833 HIS H 1834 CYS- HB+ 5.63 (# ) &rst ixpk= "0," nxpk= "0," iat= "1082," "-1," r1= "1.30," r2= "1.80," r3= "5.63," r4= "6.13," igr2= "1105," "1104," &end # # 1833 HIS H 1834 CYS- HB- 5.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "1082," "-1," r1= "1.30," r2= "1.80," r3= "5.18," r4= "5.68," igr2= "1105," "1104," &end # # 1832 LYS+ HB+ 1833 HIS H 4.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1082," r1= "1.30," r2= "1.80," r3= "4.18," r4= "4.68," igr1= "1064," "1065," &end # # 1832 LYS+ HB- 1833 HIS H 4.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1082," r1= "1.30," r2= "1.80," r3= "4.18," r4= "4.68," igr1= "1064," "1065," &end # # 1832 LYS+ H 1833 HIS H 3.59 (# ) &rst ixpk= "0," nxpk= "0," iat= "1060," "1082," r1= "1.30," r2= "1.80," r3= "3.59," r4= "4.09," &end # # 1829 TYR HA 1832 LYS+ H 4.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "1014," "1060," r1= "1.30," r2= "1.80," r3= "4.72," r4= "5.22," &end # # 1831 ALA QB 1832 LYS+ H 4.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1060," r1= "1.30," r2= "1.80," r3= "4.97," r4= "5.47," igr1= "1054," "1055," "1056," &end # # 1789 ALA H 1790 ASN H 3.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "404," "414," r1= "1.30," r2= "1.80," r3= "3.87," r4= "4.37," &end # # 1790 ASN H 1790 ASN HB+ 3.76 (# ) &rst ixpk= "0," nxpk= "0," iat= "414," "-1," r1= "1.30," r2= "1.80," r3= "3.76," r4= "4.26," igr2= "418," "419," &end # # 1790 ASN H 1790 ASN HB- 2.95 (# ) &rst ixpk= "0," nxpk= "0," iat= "414," "-1," r1= "1.30," r2= "1.80," r3= "2.95," r4= "3.45," igr2= "418," "419," &end # # 1789 ALA QB 1790 ASN H 3.69 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "414," r1= "1.30," r2= "1.80," r3= "3.69," r4= "4.19," igr1= "408," "409," "410," &end # # 1783 ALA H 1785 GLN H 5.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "318," "339," r1= "1.30," r2= "1.80," r3= "5.30," r4= "5.80," &end # # 1782 HIS HA 1785 GLN H 3.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "303," "339," r1= "1.30," r2= "1.80," r3= "3.55," r4= "4.05," &end # # 1781 VAL HA 1785 GLN H 4.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "287," "339," r1= "1.30," r2= "1.80," r3= "4.53," r4= "5.03," &end # # 1784 CYS HB+ 1785 GLN H 3.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "339," r1= "1.30," r2= "1.80," r3= "3.66," r4= "4.16," igr1= "332," "333," &end # # 1784 CYS HB- 1785 GLN H 4.26 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "339," r1= "1.30," r2= "1.80," r3= "4.26," r4= "4.76," igr1= "332," "333," &end # # 1785 GLN H 1785 GLN HG+ 2.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "339," "-1," r1= "1.30," r2= "1.80," r3= "2.96," r4= "3.46," igr2= "346," "347," &end # # 1785 GLN H 1785 GLN HG- 3.57 (# ) &rst ixpk= "0," nxpk= "0," iat= "339," "-1," r1= "1.30," r2= "1.80," r3= "3.57," r4= "4.07," igr2= "346," "347," &end # # 1785 GLN H 1785 GLN QB 3.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "339," "-1," r1= "1.30," r2= "1.80," r3= "3.30," r4= "3.80," igr2= "343," "344," &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 # # 1781 VAL QG1 1785 GLN H 5.15 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "339," r1= "1.30," r2= "1.80," r3= "5.15," r4= "5.65," igr1= "291," "292," "293," &end # # 1822 GLN H 1823 LEU H 4.29 (# ) &rst ixpk= "0," nxpk= "0," iat= "906," "923," r1= "1.30," r2= "1.80," r3= "4.29," r4= "4.79," &end # # 1821 LYS+ H 1822 GLN H 4.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "884," "906," r1= "1.30," r2= "1.80," r3= "4.38," r4= "4.88," &end # # 1818 PRO HA 1822 GLN H 5.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "854," "906," r1= "1.30," r2= "1.80," r3= "5.13," r4= "5.63," &end # # 1822 GLN H 1822 GLN HB+ 4.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "906," "-1," r1= "1.30," r2= "1.80," r3= "4.13," r4= "4.63," igr2= "910," "911," &end # # 1822 GLN H 1822 GLN HB- 4.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "906," "-1," r1= "1.30," r2= "1.80," r3= "4.13," r4= "4.63," igr2= "910," "911," &end # # 1821 LYS+ QB 1822 GLN H 4.02 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "906," r1= "1.30," r2= "1.80," r3= "4.02," r4= "4.52," igr1= "888," "889," &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 # # 1844 CYSZ H 1845 LEU H 3.54 (# ) &rst ixpk= "0," nxpk= "0," iat= "1252," "1262," r1= "1.30," r2= "1.80," r3= "3.54," r4= "4.04," &end # # 1845 LEU H 1846 ASN QB 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "1262," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "1285," "1286," &end # # 1845 LEU H 1848 LYS+ HE- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1262," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "1327," "1328," &end # # 1844 CYSZ QB 1845 LEU H 3.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1262," r1= "1.30," r2= "1.80," r3= "3.51," r4= "4.01," igr1= "1257," "1256," &end # # 1841 VAL HB 1845 LEU H 5.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "1206," "1262," r1= "1.30," r2= "1.80," r3= "5.42," r4= "5.92," &end # # 1845 LEU H 1845 LEU HB+ 3.47 (# ) &rst ixpk= "0," nxpk= "0," iat= "1262," "-1," r1= "1.30," r2= "1.80," r3= "3.47," r4= "3.97," igr2= "1266," "1267," &end # # 1845 LEU H 1845 LEU HB- 3.47 (# ) &rst ixpk= "0," nxpk= "0," iat= "1262," "-1," r1= "1.30," r2= "1.80," r3= "3.47," r4= "3.97," igr2= "1266," "1267," &end # # 1845 LEU H 1845 LEU QQD 5.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "1262," "-1," r1= "1.30," r2= "1.80," r3= "5.01," r4= "5.51," igr2= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 3036 PRO QB 3037 SER H 4.95 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2064," r1= "1.30," r2= "1.80," r3= "4.95," r4= "5.45," igr1= "2057," "2058," &end # # 3035 LEU QB 3037 SER H 5.49 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2064," r1= "1.30," r2= "1.80," r3= "5.49," r4= "5.99," igr1= "2035," "2036," &end # # 1768 SER H 1769 ARG+ H 3.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "59," "70," r1= "1.30," r2= "1.80," r3= "3.19," r4= "3.69," &end # # 1767 GLU- H 1768 SER H 2.89 (# ) &rst ixpk= "0," nxpk= "0," iat= "44," "59," r1= "1.30," r2= "1.80," r3= "2.89," r4= "3.39," &end # # 1765 PRO HA 1768 SER H 4.02 (# ) &rst ixpk= "0," nxpk= "0," iat= "23," "59," r1= "1.30," r2= "1.80," r3= "4.02," r4= "4.52," &end # # 1768 SER H 1768 SER QB 3.11 (# ) &rst ixpk= "0," nxpk= "0," iat= "59," "-1," r1= "1.30," r2= "1.80," r3= "3.11," r4= "3.61," igr2= "63," "64," &end # # 1767 GLU- QG 1768 SER H 5.05 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "59," r1= "1.30," r2= "1.80," r3= "5.05," r4= "5.55," igr1= "51," "52," &end # # 1768 SER H 1771 LEU QQD 6.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "59," "-1," r1= "1.30," r2= "1.80," r3= "6.98," r4= "7.48," igr2= "127," "128," "129," "131," "132," "133," &end # # 3009 SER H 3010 VAL H 3.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "1622," "1633," r1= "1.30," r2= "1.80," r3= "3.18," r4= "3.68," &end # # 3007 ASP- HA 3009 SER H 4.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "1598," "1622," r1= "1.30," r2= "1.80," r3= "4.41," r4= "4.91," &end # # 3008 PRO HA 3009 SER H 3.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "1618," "1622," r1= "1.30," r2= "1.80," r3= "3.53," r4= "4.03," &end # # 3009 SER H 3009 SER QB 3.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "1622," "-1," r1= "1.30," r2= "1.80," r3= "3.72," r4= "4.22," igr2= "1626," "1627," &end # # 3007 ASP- HB+ 3009 SER H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1622," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "1600," "1601," &end # # 3007 ASP- HB- 3009 SER H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1622," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "1600," "1601," &end # # 3008 PRO QG 3009 SER H 4.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1622," r1= "1.30," r2= "1.80," r3= "4.13," r4= "4.63," igr1= "1612," "1613," &end # # 3009 SER H 3010 VAL QG1 5.37 (# ) &rst ixpk= "0," nxpk= "0," iat= "1622," "-1," r1= "1.30," r2= "1.80," r3= "5.37," r4= "5.87," igr2= "1639," "1640," "1641," &end # # 1796 CYSZ HA 1800 LYS+ H 4.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "495," "559," r1= "1.30," r2= "1.80," r3= "4.41," r4= "4.91," &end # # 1796 CYSZ QB 1800 LYS+ H 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "559," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "498," "497," &end # # 1799 MET HG+ 1800 LYS+ H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "559," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "549," "550," &end # # 1799 MET HG- 1800 LYS+ H 5.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "559," r1= "1.30," r2= "1.80," r3= "5.23," r4= "5.73," igr1= "549," "550," &end # # 1799 MET HB+ 1800 LYS+ H 4.95 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "559," r1= "1.30," r2= "1.80," r3= "4.95," r4= "5.45," igr1= "546," "547," &end # # 1799 MET HB- 1800 LYS+ H 3.56 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "559," r1= "1.30," r2= "1.80," r3= "3.56," r4= "4.06," igr1= "546," "547," &end # # 1783 ALA QB 1800 LYS+ H 4.25 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "559," r1= "1.30," r2= "1.80," r3= "4.25," r4= "4.75," igr1= "322," "323," "324," &end # # 1846 ASN HA 1848 LYS+ H 4.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "1283," "1314," r1= "1.30," r2= "1.80," r3= "4.98," r4= "5.48," &end # # 1844 CYSZ HA 1848 LYS+ H 4.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "1254," "1314," r1= "1.30," r2= "1.80," r3= "4.74," r4= "5.24," &end # # 1845 LEU HA 1848 LYS+ H 4.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "1264," "1314," r1= "1.30," r2= "1.80," r3= "4.46," r4= "4.96," &end # # 1848 LYS+ H 1848 LYS+ HB+ 3.9 (# ) &rst ixpk= "0," nxpk= "0," iat= "1314," "-1," r1= "1.30," r2= "1.80," r3= "3.90," r4= "4.40," igr2= "1318," "1319," &end # # 1848 LYS+ H 1848 LYS+ HG+ 4.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "1314," "-1," r1= "1.30," r2= "1.80," r3= "4.74," r4= "5.24," igr2= "1321," "1322," &end # # 1848 LYS+ H 1848 LYS+ HB- 3.9 (# ) &rst ixpk= "0," nxpk= "0," iat= "1314," "-1," r1= "1.30," r2= "1.80," r3= "3.90," r4= "4.40," igr2= "1318," "1319," &end # # 1848 LYS+ H 1848 LYS+ HG- 4.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "1314," "-1," r1= "1.30," r2= "1.80," r3= "4.74," r4= "5.24," igr2= "1321," "1322," &end # # 1847 ILE QG2 1848 LYS+ H 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1314," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1301," "1302," "1303," &end # # 1783 ALA H 1784 CYS H 3.62 (# ) &rst ixpk= "0," nxpk= "0," iat= "318," "328," r1= "1.30," r2= "1.80," r3= "3.62," r4= "4.12," &end # # 1784 CYS H 1785 GLN H 2.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "328," "339," r1= "1.30," r2= "1.80," r3= "2.96," r4= "3.46," &end # # 1781 VAL HA 1784 CYS H 3.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "287," "328," r1= "1.30," r2= "1.80," r3= "3.70," r4= "4.20," &end # # 1784 CYS H 1784 CYS HB+ 3.24 (# ) &rst ixpk= "0," nxpk= "0," iat= "328," "-1," r1= "1.30," r2= "1.80," r3= "3.24," r4= "3.74," igr2= "332," "333," &end # # 1784 CYS H 1784 CYS HB- 3.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "328," "-1," r1= "1.30," r2= "1.80," r3= "3.17," r4= "3.67," igr2= "332," "333," &end # # 1784 CYS H 1785 GLN QG 5.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "328," "-1," r1= "1.30," r2= "1.80," r3= "5.93," r4= "6.43," igr2= "346," "347," &end # # 1783 ALA QB 1784 CYS H 3.75 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "328," r1= "1.30," r2= "1.80," r3= "3.75," r4= "4.25," igr1= "322," "323," "324," &end # # 1781 VAL QQG 1784 CYS H 6.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "328," r1= "1.30," r2= "1.80," r3= "6.32," r4= "6.82," igr1= "291," "292," "293," "295," "296," "297," &end # # 3055 THR H 3056 GLU- H 3.21 (# ) &rst ixpk= "0," nxpk= "0," iat= "2342," "2356," r1= "1.30," r2= "1.80," r3= "3.21," r4= "3.71," &end # # 3054 PHE QD 3055 THR H 5.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2342," r1= "1.30," r2= "1.80," r3= "5.42," r4= "5.92," igr1= "2330," "2338," &end # # 3055 THR H 3055 THR HB 2.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "2342," "2346," r1= "1.30," r2= "1.80," r3= "2.99," r4= "3.49," &end # # 3054 PHE QB 3055 THR H 4.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2342," r1= "1.30," r2= "1.80," r3= "4.53," r4= "5.03," igr1= "2326," "2327," &end # # 3055 THR H 3055 THR QG2 3.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "2342," "-1," r1= "1.30," r2= "1.80," r3= "3.98," r4= "4.48," igr2= "2348," "2349," "2350," &end # # 1764 SER HA 1767 GLU- H 5.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "4," "44," r1= "1.30," r2= "1.80," r3= "5.16," r4= "5.66," &end # # 1764 SER QB 1767 GLU- H 4.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "44," r1= "1.30," r2= "1.80," r3= "4.19," r4= "4.69," igr1= "6," "7," &end # # 1767 GLU- H 1767 GLU- HA 2.91 (# ) &rst ixpk= "0," nxpk= "0," iat= "44," "46," r1= "1.30," r2= "1.80," r3= "2.91," r4= "3.41," &end # # 1767 GLU- H 1770 ARG+ QD 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "44," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "104," "105," &end # # 1766 GLN QG 1767 GLU- H 5.05 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "44," r1= "1.30," r2= "1.80," r3= "5.05," r4= "5.55," igr1= "34," "35," &end # # 1767 GLU- H 1767 GLU- QG 4.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "44," "-1," r1= "1.30," r2= "1.80," r3= "4.87," r4= "5.37," igr2= "51," "52," &end # # 1766 GLN QB 1767 GLU- H 3.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "44," r1= "1.30," r2= "1.80," r3= "3.96," r4= "4.46," igr1= "31," "32," &end # # 1819 VAL H 1820 CYSZ H 3.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "858," "874," r1= "1.30," r2= "1.80," r3= "3.14," r4= "3.64," &end # # 1819 VAL H 1821 LYS+ H 4.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "858," "884," r1= "1.30," r2= "1.80," r3= "4.66," r4= "5.16," &end # # 1818 PRO HD+ 1819 VAL H 3.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "858," r1= "1.30," r2= "1.80," r3= "3.74," r4= "4.24," igr1= "845," "846," &end # # 1818 PRO HD- 1819 VAL H 3.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "858," r1= "1.30," r2= "1.80," r3= "3.74," r4= "4.24," igr1= "845," "846," &end # # 1817 CYS- HB+ 1819 VAL H 5.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "858," r1= "1.30," r2= "1.80," r3= "5.42," r4= "5.92," igr1= "839," "838," &end # # 1817 CYS- HB- 1819 VAL H 5.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "858," r1= "1.30," r2= "1.80," r3= "5.42," r4= "5.92," igr1= "839," "838," &end # # 1818 PRO QG 1819 VAL H 3.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "858," r1= "1.30," r2= "1.80," r3= "3.66," r4= "4.16," igr1= "848," "849," &end # # 1819 VAL H 1819 VAL HB 3.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "858," "862," r1= "1.30," r2= "1.80," r3= "3.33," r4= "3.83," &end # # 1819 VAL H 1819 VAL QG2 3.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "858," "-1," r1= "1.30," r2= "1.80," r3= "3.46," r4= "3.96," igr2= "868," "869," "870," &end # # 1799 MET H 1802 VAL H 4.91 (# ) &rst ixpk= "0," nxpk= "0," iat= "542," "605," r1= "1.30," r2= "1.80," r3= "4.91," r4= "5.41," &end # # 1802 VAL H 1802 VAL HB 3.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "605," "609," r1= "1.30," r2= "1.80," r3= "3.98," r4= "4.48," &end # # 1801 ARG+ QG 1802 VAL H 5.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "605," r1= "1.30," r2= "1.80," r3= "5.42," r4= "5.92," igr1= "588," "589," &end # # 1802 VAL H 1802 VAL QG2 4.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "605," "-1," r1= "1.30," r2= "1.80," r3= "4.84," r4= "5.34," igr2= "615," "616," "617," &end # # 1837 ASN HD2+ 1838 LYS+ H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1156," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "1151," "1152," &end # # 1837 ASN QB 1838 LYS+ H 4.29 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1156," r1= "1.30," r2= "1.80," r3= "4.29," r4= "4.79," igr1= "1146," "1147," &end # # 1836 GLU- HG- 1838 LYS+ H 4.05 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1156," r1= "1.30," r2= "1.80," r3= "4.05," r4= "4.55," igr1= "1134," "1135," &end # # 1836 GLU- HB+ 1838 LYS+ H 3.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1156," r1= "1.30," r2= "1.80," r3= "3.97," r4= "4.47," igr1= "1131," "1132," &end # # 1838 LYS+ H 1838 LYS+ HB+ 3.82 (# ) &rst ixpk= "0," nxpk= "0," iat= "1156," "-1," r1= "1.30," r2= "1.80," r3= "3.82," r4= "4.32," igr2= "1160," "1161," &end # # 1838 LYS+ H 1838 LYS+ HB- 3.82 (# ) &rst ixpk= "0," nxpk= "0," iat= "1156," "-1," r1= "1.30," r2= "1.80," r3= "3.82," r4= "4.32," igr2= "1160," "1161," &end # # 1838 LYS+ H 1838 LYS+ QG 5.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "1156," "-1," r1= "1.30," r2= "1.80," r3= "5.14," r4= "5.64," igr2= "1163," "1164," &end # # 1782 HIS H 1783 ALA H 3.54 (# ) &rst ixpk= "0," nxpk= "0," iat= "301," "318," r1= "1.30," r2= "1.80," r3= "3.54," r4= "4.04," &end # # 1782 HIS HD2 1783 ALA H 3.44 (# ) &rst ixpk= "0," nxpk= "0," iat= "314," "318," r1= "1.30," r2= "1.80," r3= "3.44," r4= "3.94," &end # # 1779 SER HA 1783 ALA H 4.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "257," "318," r1= "1.30," r2= "1.80," r3= "4.07," r4= "4.57," &end # # 1782 HIS HB- 1783 ALA H 4.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "318," r1= "1.30," r2= "1.80," r3= "4.13," r4= "4.63," igr1= "305," "306," &end # # 1783 ALA H 1799 MET QG 5.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "318," "-1," r1= "1.30," r2= "1.80," r3= "5.53," r4= "6.03," igr2= "549," "550," &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 5.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "289," "318," r1= "1.30," r2= "1.80," r3= "5.46," r4= "5.96," &end # # 1783 ALA H 1786 CYS- HB- 4.81 (# ) &rst ixpk= "0," nxpk= "0," iat= "318," "-1," r1= "1.30," r2= "1.80," r3= "4.81," r4= "5.31," igr2= "361," "360," &end # # 1783 ALA H 1783 ALA QB 3.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "318," "-1," r1= "1.30," r2= "1.80," r3= "3.66," r4= "4.16," igr2= "322," "323," "324," &end # # 1781 VAL QQG 1783 ALA H 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "318," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "291," "292," "293," "295," "296," "297," &end # # 1783 ALA H 1796 CYSZ HA 4.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "318," "495," r1= "1.30," r2= "1.80," r3= "4.53," r4= "5.03," &end # # 1847 ILE H 1847 ILE HB 2.94 (# ) &rst ixpk= "0," nxpk= "0," iat= "1295," "1299," r1= "1.30," r2= "1.80," r3= "2.94," r4= "3.44," &end # # 1847 ILE H 1847 ILE QG2 4.71 (# ) &rst ixpk= "0," nxpk= "0," iat= "1295," "-1," r1= "1.30," r2= "1.80," r3= "4.71," r4= "5.21," igr2= "1301," "1302," "1303," &end # # 1831 ALA H 1832 LYS+ H 4.54 (# ) &rst ixpk= "0," nxpk= "0," iat= "1050," "1060," r1= "1.30," r2= "1.80," r3= "4.54," r4= "5.04," &end # # 1830 HIS HD2 1831 ALA H 4.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "1046," "1050," r1= "1.30," r2= "1.80," r3= "4.34," r4= "4.84," &end # # 1828 CYS HA 1831 ALA H 4.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "1003," "1050," r1= "1.30," r2= "1.80," r3= "4.85," r4= "5.35," &end # # 1830 HIS HB+ 1831 ALA H 4.67 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1050," r1= "1.30," r2= "1.80," r3= "4.67," r4= "5.17," igr1= "1037," "1038," &end # # 1830 HIS HB- 1831 ALA H 4.28 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1050," r1= "1.30," r2= "1.80," r3= "4.28," r4= "4.78," igr1= "1037," "1038," &end # # 1831 ALA H 1831 ALA QB 3.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "1050," "-1," r1= "1.30," r2= "1.80," r3= "3.73," r4= "4.23," igr2= "1054," "1055," "1056," &end # # 1836 GLU- HA 1837 ASN H 3.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "1129," "1142," r1= "1.30," r2= "1.80," r3= "3.43," r4= "3.93," &end # # 1837 ASN H 1837 ASN QB 4.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "1142," "-1," r1= "1.30," r2= "1.80," r3= "4.43," r4= "4.93," igr2= "1146," "1147," &end # # 1836 GLU- HB+ 1837 ASN H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1142," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "1131," "1132," &end # # 1836 GLU- HB- 1837 ASN H 5.31 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1142," r1= "1.30," r2= "1.80," r3= "5.31," r4= "5.81," igr1= "1131," "1132," &end # # 2005 GLY H 2006 SER H 4.57 (# ) &rst ixpk= "0," nxpk= "0," iat= "1506," "1513," r1= "1.30," r2= "1.80," r3= "4.57," r4= "5.07," &end # # 2006 SER H 2006 SER QB 4.05 (# ) &rst ixpk= "0," nxpk= "0," iat= "1513," "-1," r1= "1.30," r2= "1.80," r3= "4.05," r4= "4.55," igr2= "1517," "1518," &end # # 1830 HIS H 1831 ALA H 3.49 (# ) &rst ixpk= "0," nxpk= "0," iat= "1033," "1050," r1= "1.30," r2= "1.80," r3= "3.49," r4= "3.99," &end # # 1829 TYR QD 1830 HIS H 4.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1033," r1= "1.30," r2= "1.80," r3= "4.34," r4= "4.84," igr1= "1020," "1029," &end # # 1829 TYR QE 1830 HIS H 6.4 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1033," r1= "1.30," r2= "1.80," r3= "6.40," r4= "6.90," igr1= "1022," "1027," &end # # 2001 GLY QA 2002 SER H 3.69 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1477," r1= "1.30," r2= "1.80," r3= "3.69," r4= "4.19," igr1= "1472," "1473," &end # # 1830 HIS H 1830 HIS HB+ 3.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "1033," "-1," r1= "1.30," r2= "1.80," r3= "3.20," r4= "3.70," igr2= "1037," "1038," &end # # 1830 HIS H 1830 HIS HB- 2.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "1033," "-1," r1= "1.30," r2= "1.80," r3= "2.85," r4= "3.35," igr2= "1037," "1038," &end # # 1830 HIS H 1831 ALA QB 5.63 (# ) &rst ixpk= "0," nxpk= "0," iat= "1033," "-1," r1= "1.30," r2= "1.80," r3= "5.63," r4= "6.13," igr2= "1054," "1055," "1056," &end # # 1777 ILE QD1 1830 HIS H 4.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1033," r1= "1.30," r2= "1.80," r3= "4.18," r4= "4.68," igr1= "232," "233," "234," &end # # 1797 GLN H 1798 LYS+ H 3.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "503," "520," r1= "1.30," r2= "1.80," r3= "3.83," r4= "4.33," &end # # 1796 CYSZ H 1797 GLN H 3.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "493," "503," r1= "1.30," r2= "1.80," r3= "3.19," r4= "3.69," &end # # 1793 LEU HA 1797 GLN H 5.21 (# ) &rst ixpk= "0," nxpk= "0," iat= "451," "503," r1= "1.30," r2= "1.80," r3= "5.21," r4= "5.71," &end # # 1796 CYSZ HB+ 1797 GLN H 3.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "503," r1= "1.30," r2= "1.80," r3= "3.43," r4= "3.93," igr1= "498," "497," &end # # 1796 CYSZ HB- 1797 GLN H 3.59 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "503," r1= "1.30," r2= "1.80," r3= "3.59," r4= "4.09," igr1= "498," "497," &end # # 1797 GLN H 1797 GLN HG- 3.31 (# ) &rst ixpk= "0," nxpk= "0," iat= "503," "-1," r1= "1.30," r2= "1.80," r3= "3.31," r4= "3.81," igr2= "510," "511," &end # # 1797 GLN H 1797 GLN HG+ 3.49 (# ) &rst ixpk= "0," nxpk= "0," iat= "503," "-1," r1= "1.30," r2= "1.80," r3= "3.49," r4= "3.99," igr2= "510," "511," &end # # 1797 GLN H 1797 GLN HB- 2.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "503," "-1," r1= "1.30," r2= "1.80," r3= "2.66," r4= "3.16," igr2= "507," "508," &end # # 1793 LEU HB+ 1797 GLN H 4.06 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "503," r1= "1.30," r2= "1.80," r3= "4.06," r4= "4.56," igr1= "453," "454," &end # # 1793 LEU HB- 1797 GLN H 5.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "503," r1= "1.30," r2= "1.80," r3= "5.17," r4= "5.67," igr1= "453," "454," &end # # 1793 LEU QQD 1797 GLN H 7.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "503," r1= "1.30," r2= "1.80," r3= "7.23," r4= "7.73," igr1= "458," "459," "460," "462," "463," "464," &end # # 3018 THR H 3018 THR HB 3.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "1754," "1758," r1= "1.30," r2= "1.80," r3= "3.93," r4= "4.43," &end # # 3017 GLU- QB 3018 THR H 4.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1754," r1= "1.30," r2= "1.80," r3= "4.97," r4= "5.47," igr1= "1743," "1744," &end # # 3018 THR H 3018 THR QG2 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "1754," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "1760," "1761," "1762," &end # # 3051 GLU- HA 3054 PHE H 4.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "2268," "2322," r1= "1.30," r2= "1.80," r3= "4.84," r4= "5.34," &end # # 3052 GLN H 3052 GLN QG 4.57 (# ) &rst ixpk= "0," nxpk= "0," iat= "2281," "-1," r1= "1.30," r2= "1.80," r3= "4.57," r4= "5.07," igr2= "2288," "2289," &end # # 3052 GLN H 3052 GLN QB 3.59 (# ) &rst ixpk= "0," nxpk= "0," iat= "2281," "-1," r1= "1.30," r2= "1.80," r3= "3.59," r4= "4.09," igr2= "2285," "2286," &end # # 1781 VAL H 1782 HIS H 3.11 (# ) &rst ixpk= "0," nxpk= "0," iat= "285," "301," r1= "1.30," r2= "1.80," r3= "3.11," r4= "3.61," &end # # 1780 LEU H 1782 HIS H 5.02 (# ) &rst ixpk= "0," nxpk= "0," iat= "266," "301," r1= "1.30," r2= "1.80," r3= "5.02," r4= "5.52," &end # # 1782 HIS H 1782 HIS HD2 5.11 (# ) &rst ixpk= "0," nxpk= "0," iat= "301," "314," r1= "1.30," r2= "1.80," r3= "5.11," r4= "5.61," &end # # 1781 VAL QG2 1782 HIS H 5.25 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "301," r1= "1.30," r2= "1.80," r3= "5.25," r4= "5.75," igr1= "295," "296," "297," &end # # 1781 VAL QG1 1782 HIS H 4.4 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "301," r1= "1.30," r2= "1.80," r3= "4.40," r4= "4.90," igr1= "291," "292," "293," &end # # 1781 VAL HB 1782 HIS H 3.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "289," "301," r1= "1.30," r2= "1.80," r3= "3.51," r4= "4.01," &end # # 1782 HIS H 1785 GLN QG 5.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "301," "-1," r1= "1.30," r2= "1.80," r3= "5.86," r4= "6.36," igr2= "346," "347," &end # # 1779 SER HA 1782 HIS H 4.03 (# ) &rst ixpk= "0," nxpk= "0," iat= "257," "301," r1= "1.30," r2= "1.80," r3= "4.03," r4= "4.53," &end # # 1779 SER QB 1782 HIS H 6.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "301," r1= "1.30," r2= "1.80," r3= "6.51," r4= "7.01," igr1= "259," "260," &end # # 1782 HIS H 1782 HIS HB- 3.24 (# ) &rst ixpk= "0," nxpk= "0," iat= "301," "-1," r1= "1.30," r2= "1.80," r3= "3.24," r4= "3.74," igr2= "305," "306," &end # # 1845 LEU QQD 1846 ASN H 5.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1281," r1= "1.30," r2= "1.80," r3= "5.60," r4= "6.10," igr1= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1846 ASN H 1846 ASN QB 3.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "1281," "-1," r1= "1.30," r2= "1.80," r3= "3.92," r4= "4.42," igr2= "1285," "1286," &end # # 1846 ASN H 1848 LYS+ H 4.63 (# ) &rst ixpk= "0," nxpk= "0," iat= "1281," "1314," r1= "1.30," r2= "1.80," r3= "4.63," r4= "5.13," &end # # 1848 LYS+ H 1849 HIS H 4.76 (# ) &rst ixpk= "0," nxpk= "0," iat= "1314," "1336," r1= "1.30," r2= "1.80," r3= "4.76," r4= "5.26," &end # # 1771 LEU QQD 1772 SER H 5.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "137," r1= "1.30," r2= "1.80," r3= "5.88," r4= "6.38," igr1= "127," "128," "129," "131," "132," "133," &end # # 1771 LEU HB- 1772 SER H 3.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "137," r1= "1.30," r2= "1.80," r3= "3.72," r4= "4.22," igr1= "122," "123," &end # # 1771 LEU HB+ 1772 SER H 3.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "137," r1= "1.30," r2= "1.80," r3= "3.72," r4= "4.22," igr1= "122," "123," &end # # 1779 SER H 1775 ARG+ QB 5.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "255," "-1," r1= "1.30," r2= "1.80," r3= "5.53," r4= "6.03," igr2= "188," "189," &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 # # 1769 ARG+ HA 1772 SER H 3.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "72," "137," r1= "1.30," r2= "1.80," r3= "3.87," r4= "4.37," &end # # 1779 SER H 1780 LEU H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "255," "266," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1778 GLN H 1779 SER H 5.47 (# ) &rst ixpk= "0," nxpk= "0," iat= "238," "255," r1= "1.30," r2= "1.80," r3= "5.47," r4= "5.97," &end # # 3023 TRP H 3023 TRP HZ3 5.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "1830," "1847," r1= "1.30," r2= "1.80," r3= "5.60," r4= "6.10," &end # # 3025 LEU H 3025 LEU QB 5.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "1876," "-1," r1= "1.30," r2= "1.80," r3= "5.30," r4= "5.80," igr2= "1880," "1881," &end # # 3024 LYS+ QB 3025 LEU H 5.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1876," r1= "1.30," r2= "1.80," r3= "5.32," r4= "5.82," igr1= "1858," "1859," &end # # 1820 CYSZ HB+ 1821 LYS+ H 4.56 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "884," r1= "1.30," r2= "1.80," r3= "4.56," r4= "5.06," igr1= "879," "878," &end # # 1820 CYSZ HB- 1821 LYS+ H 4.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "884," r1= "1.30," r2= "1.80," r3= "4.32," r4= "4.82," igr1= "879," "878," &end # # 1821 LYS+ H 1823 LEU QB 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "884," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "927," "928," &end # # 1821 LYS+ H 1821 LYS+ QB 4.62 (# ) &rst ixpk= "0," nxpk= "0," iat= "884," "-1," r1= "1.30," r2= "1.80," r3= "4.62," r4= "5.12," igr2= "888," "889," &end # # 1821 LYS+ H 1821 LYS+ QG 5.8 (# ) &rst ixpk= "0," nxpk= "0," iat= "884," "-1," r1= "1.30," r2= "1.80," r3= "5.80," r4= "6.30," igr2= "891," "892," &end # # 1821 LYS+ H 3025 LEU QQD 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "884," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr2= "1885," "1886," "1887," "1889," "1890," "1891," &end # # 1849 HIS H 1849 HIS QB 3.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "1336," "-1," r1= "1.30," r2= "1.80," r3= "3.84," r4= "4.34," igr2= "1340," "1341," &end # # 1849 HIS H 1845 LEU QQD 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "1336," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr2= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1846 ASN HA 1849 HIS H 4.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "1283," "1336," r1= "1.30," r2= "1.80," r3= "4.01," r4= "4.51," &end # # 1818 PRO HA 1821 LYS+ H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "854," "884," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1847 ILE H 1849 HIS H 4.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "1295," "1336," r1= "1.30," r2= "1.80," r3= "4.92," r4= "5.42," &end # # 1798 LYS+ H 1799 MET H 4.03 (# ) &rst ixpk= "0," nxpk= "0," iat= "520," "542," r1= "1.30," r2= "1.80," r3= "4.03," r4= "4.53," &end # # 1796 CYSZ HA 1799 MET H 3.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "495," "542," r1= "1.30," r2= "1.80," r3= "3.70," r4= "4.20," &end # # 1799 MET H 1799 MET HG+ 3.82 (# ) &rst ixpk= "0," nxpk= "0," iat= "542," "-1," r1= "1.30," r2= "1.80," r3= "3.82," r4= "4.32," igr2= "549," "550," &end # # 1799 MET H 1799 MET HG- 3.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "542," "-1," r1= "1.30," r2= "1.80," r3= "3.97," r4= "4.47," igr2= "549," "550," &end # # 1799 MET H 1799 MET HB+ 3.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "542," "-1," r1= "1.30," r2= "1.80," r3= "3.99," r4= "4.49," igr2= "546," "547," &end # # 1798 LYS+ HB+ 1799 MET H 3.49 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "542," r1= "1.30," r2= "1.80," r3= "3.49," r4= "3.99," igr1= "524," "525," &end # # 1783 ALA QB 1799 MET H 4.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "542," r1= "1.30," r2= "1.80," r3= "4.79," r4= "5.29," igr1= "322," "323," "324," &end # # 1798 LYS+ HB- 1799 MET H 3.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "542," r1= "1.30," r2= "1.80," r3= "3.42," r4= "3.92," igr1= "524," "525," &end # # 1799 MET H 1799 MET HB- 3.58 (# ) &rst ixpk= "0," nxpk= "0," iat= "542," "-1," r1= "1.30," r2= "1.80," r3= "3.58," r4= "4.08," igr2= "546," "547," &end # # 1799 MET H 1800 LYS+ H 3.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "542," "559," r1= "1.30," r2= "1.80," r3= "3.42," r4= "3.92," &end # # 1796 CYSZ H 1798 LYS+ H 4.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "493," "520," r1= "1.30," r2= "1.80," r3= "4.23," r4= "4.73," &end # # 1798 LYS+ H 1800 LYS+ H 5.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "520," "559," r1= "1.30," r2= "1.80," r3= "5.01," r4= "5.51," &end # # 1794 PRO HA 1798 LYS+ H 5.21 (# ) &rst ixpk= "0," nxpk= "0," iat= "478," "520," r1= "1.30," r2= "1.80," r3= "5.21," r4= "5.71," &end # # 1796 CYSZ HA 1798 LYS+ H 4.67 (# ) &rst ixpk= "0," nxpk= "0," iat= "495," "520," r1= "1.30," r2= "1.80," r3= "4.67," r4= "5.17," &end # # 1798 LYS+ H 1798 LYS+ QE 5.65 (# ) &rst ixpk= "0," nxpk= "0," iat= "520," "-1," r1= "1.30," r2= "1.80," r3= "5.65," r4= "6.15," igr2= "533," "534," &end # # 1796 CYSZ HB- 1798 LYS+ H 5.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "520," r1= "1.30," r2= "1.80," r3= "5.34," r4= "5.84," igr1= "498," "497," &end # # 1797 GLN HB- 1798 LYS+ H 3.28 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "520," r1= "1.30," r2= "1.80," r3= "3.28," r4= "3.78," igr1= "507," "508," &end # # 1798 LYS+ H 1798 LYS+ HB+ 3.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "520," "-1," r1= "1.30," r2= "1.80," r3= "3.53," r4= "4.03," igr2= "524," "525," &end # # 1798 LYS+ H 1798 LYS+ HB- 3.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "520," "-1," r1= "1.30," r2= "1.80," r3= "3.32," r4= "3.82," igr2= "524," "525," &end # # 1798 LYS+ H 1798 LYS+ QD 4.24 (# ) &rst ixpk= "0," nxpk= "0," iat= "520," "-1," r1= "1.30," r2= "1.80," r3= "4.24," r4= "4.74," igr2= "530," "531," &end # # 1798 LYS+ H 1798 LYS+ HG+ 4.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "520," "-1," r1= "1.30," r2= "1.80," r3= "4.52," r4= "5.02," igr2= "527," "528," &end # # 1798 LYS+ H 1798 LYS+ HG- 4.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "520," "-1," r1= "1.30," r2= "1.80," r3= "4.52," r4= "5.02," igr2= "527," "528," &end # # 1825 ALA H 1825 ALA QB 4.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "961," "-1," r1= "1.30," r2= "1.80," r3= "4.18," r4= "4.68," igr2= "965," "966," "967," &end # # 1825 ALA H 3025 LEU QQD 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "961," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr2= "1885," "1886," "1887," "1889," "1890," "1891," &end # # 3007 ASP- H 3010 VAL QG1 5.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "1596," "-1," r1= "1.30," r2= "1.80," r3= "5.64," r4= "6.14," igr2= "1639," "1640," "1641," &end # # 3007 ASP- H 3007 ASP- HB- 3.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "1596," "-1," r1= "1.30," r2= "1.80," r3= "3.73," r4= "4.23," igr2= "1600," "1601," &end # # 3007 ASP- H 3007 ASP- HB+ 3.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "1596," "-1," r1= "1.30," r2= "1.80," r3= "3.73," r4= "4.23," igr2= "1600," "1601," &end # # 3006 SER QB 3007 ASP- H 4.47 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1596," r1= "1.30," r2= "1.80," r3= "4.47," r4= "4.97," igr1= "1589," "1590," &end # # 3006 SER HA 3007 ASP- H 3.58 (# ) &rst ixpk= "0," nxpk= "0," iat= "1587," "1596," r1= "1.30," r2= "1.80," r3= "3.58," r4= "4.08," &end # # 3003 GLU- H 3003 GLU- QG 3.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "1539," "-1," r1= "1.30," r2= "1.80," r3= "3.46," r4= "3.96," igr2= "1546," "1547," &end # # 3003 GLU- H 3003 GLU- QB 3.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "1539," "-1," r1= "1.30," r2= "1.80," r3= "3.61," r4= "4.11," igr2= "1543," "1544," &end # # 3002 GLU- HB- 3003 GLU- H 4.22 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1539," r1= "1.30," r2= "1.80," r3= "4.22," r4= "4.72," igr1= "1528," "1529," &end # # 3002 GLU- HB+ 3003 GLU- H 4.22 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1539," r1= "1.30," r2= "1.80," r3= "4.22," r4= "4.72," igr1= "1528," "1529," &end # # 2006 SER QB 3002 GLU- H 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1524," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1517," "1518," &end # # 1769 ARG+ HA 1773 ILE H 4.1 (# ) &rst ixpk= "0," nxpk= "0," iat= "72," "148," r1= "1.30," r2= "1.80," r3= "4.10," r4= "4.60," &end # # 1771 LEU HA 1773 ILE H 5.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "120," "148," r1= "1.30," r2= "1.80," r3= "5.07," r4= "5.57," &end # # 1772 SER HB+ 1773 ILE H 4.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "148," r1= "1.30," r2= "1.80," r3= "4.18," r4= "4.68," igr1= "141," "142," &end # # 1770 ARG+ HA 1773 ILE H 3.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "96," "148," r1= "1.30," r2= "1.80," r3= "3.93," r4= "4.43," &end # # 1772 SER HB- 1773 ILE H 4.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "148," r1= "1.30," r2= "1.80," r3= "4.18," r4= "4.68," igr1= "141," "142," &end # # 1773 ILE H 1776 CYS HB- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "148," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "212," "213," &end # # 1773 ILE H 1773 ILE QD1 4.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "148," "-1," r1= "1.30," r2= "1.80," r3= "4.52," r4= "5.02," igr2= "161," "162," "163," &end # # 1773 ILE H 1773 ILE HG12 3.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "148," "158," r1= "1.30," r2= "1.80," r3= "3.79," r4= "4.29," &end # # 1773 ILE H 1773 ILE HG13 3.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "148," "159," r1= "1.30," r2= "1.80," r3= "3.79," r4= "4.29," &end # # 1773 ILE H 1773 ILE HB 2.9 (# ) &rst ixpk= "0," nxpk= "0," iat= "148," "152," r1= "1.30," r2= "1.80," r3= "2.90," r4= "3.40," &end # # 3057 ASP- H 3057 ASP- HB+ 3.36 (# ) &rst ixpk= "0," nxpk= "0," iat= "2371," "-1," r1= "1.30," r2= "1.80," r3= "3.36," r4= "3.86," igr2= "2375," "2376," &end # # 3057 ASP- H 3057 ASP- HB- 3.36 (# ) &rst ixpk= "0," nxpk= "0," iat= "2371," "-1," r1= "1.30," r2= "1.80," r3= "3.36," r4= "3.86," igr2= "2375," "2376," &end # # 3056 GLU- HG- 3057 ASP- H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2371," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "2363," "2364," &end # # 3056 GLU- HG+ 3057 ASP- H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2371," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "2363," "2364," &end # # 3055 THR QG2 3057 ASP- H 6.57 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2371," r1= "1.30," r2= "1.80," r3= "6.57," r4= "7.07," igr1= "2348," "2349," "2350," &end # # 3056 GLU- HA 3057 ASP- H 3.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "2358," "2371," r1= "1.30," r2= "1.80," r3= "3.38," r4= "3.88," &end # # 3055 THR QG2 3056 GLU- H 4.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2356," r1= "1.30," r2= "1.80," r3= "4.60," r4= "5.10," igr1= "2348," "2349," "2350," &end # # 3052 GLN QB 3056 GLU- H 5.15 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2356," r1= "1.30," r2= "1.80," r3= "5.15," r4= "5.65," igr1= "2285," "2286," &end # # 3056 GLU- H 3056 GLU- HG- 4.82 (# ) &rst ixpk= "0," nxpk= "0," iat= "2356," "-1," r1= "1.30," r2= "1.80," r3= "4.82," r4= "5.32," igr2= "2363," "2364," &end # # 3056 GLU- H 3056 GLU- HG+ 4.82 (# ) &rst ixpk= "0," nxpk= "0," iat= "2356," "-1," r1= "1.30," r2= "1.80," r3= "4.82," r4= "5.32," igr2= "2363," "2364," &end # # 3055 THR HA 3056 GLU- H 3.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "2344," "2356," r1= "1.30," r2= "1.80," r3= "3.64," r4= "4.14," &end # # 3056 GLU- H 3057 ASP- H 4.9 (# ) &rst ixpk= "0," nxpk= "0," iat= "2356," "2371," r1= "1.30," r2= "1.80," r3= "4.90," r4= "5.40," &end # # 3034 PRO HA 3035 LEU H 3.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "2027," "2031," r1= "1.30," r2= "1.80," r3= "3.51," r4= "4.01," &end # # 1766 GLN HA 1769 ARG+ H 3.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "29," "70," r1= "1.30," r2= "1.80," r3= "3.88," r4= "4.38," &end # # 1768 SER QB 1769 ARG+ H 3.89 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "70," r1= "1.30," r2= "1.80," r3= "3.89," r4= "4.39," igr1= "63," "64," &end # # 1769 ARG+ H 1769 ARG+ QD 5.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "70," "-1," r1= "1.30," r2= "1.80," r3= "5.33," r4= "5.83," igr2= "80," "81," &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 # # 3035 LEU H 3035 LEU QB 3.49 (# ) &rst ixpk= "0," nxpk= "0," iat= "2031," "-1," r1= "1.30," r2= "1.80," r3= "3.49," r4= "3.99," igr2= "2035," "2036," &end # # 3031 VAL QQG 3032 LEU H 4.81 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1987," r1= "1.30," r2= "1.80," r3= "4.81," r4= "5.31," igr1= "1977," "1978," "1979," "1981," "1982," "1983," &end # # 3035 LEU H 3036 PRO HD- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "2031," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "2051," "2052," &end # # 3031 VAL HB 3032 LEU H 4.44 (# ) &rst ixpk= "0," nxpk= "0," iat= "1975," "1987," r1= "1.30," r2= "1.80," r3= "4.44," r4= "4.94," &end # # 3044 MET HB+ 3045 LEU H 4.67 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2179," r1= "1.30," r2= "1.80," r3= "4.67," r4= "5.17," igr1= "2166," "2167," &end # # 3032 LEU H 3032 LEU HB- 3.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "1987," "-1," r1= "1.30," r2= "1.80," r3= "3.01," r4= "3.51," igr2= "1991," "1992," &end # # 3035 LEU H 3036 PRO HD+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "2031," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "2051," "2052," &end # # 3031 VAL H 3032 LEU H 4.47 (# ) &rst ixpk= "0," nxpk= "0," iat= "1971," "1987," r1= "1.30," r2= "1.80," r3= "4.47," r4= "4.97," &end # # 3038 GLN H 3038 GLN HB- 3.95 (# ) &rst ixpk= "0," nxpk= "0," iat= "2075," "-1," r1= "1.30," r2= "1.80," r3= "3.95," r4= "4.45," igr2= "2079," "2080," &end # # 3038 GLN H 3038 GLN HB+ 3.95 (# ) &rst ixpk= "0," nxpk= "0," iat= "2075," "-1," r1= "1.30," r2= "1.80," r3= "3.95," r4= "4.45," igr2= "2079," "2080," &end # # 3038 GLN H 3038 GLN QG 4.77 (# ) &rst ixpk= "0," nxpk= "0," iat= "2075," "-1," r1= "1.30," r2= "1.80," r3= "4.77," r4= "5.27," igr2= "2082," "2083," &end # # 3037 SER HA 3038 GLN H 3.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "2066," "2075," r1= "1.30," r2= "1.80," r3= "3.60," r4= "4.10," &end # # 3037 SER QB 3038 GLN H 5.81 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2075," r1= "1.30," r2= "1.80," r3= "5.81," r4= "6.31," igr1= "2068," "2069," &end # # 3038 GLN H 3039 ALA H 4.58 (# ) &rst ixpk= "0," nxpk= "0," iat= "2075," "2092," r1= "1.30," r2= "1.80," r3= "4.58," r4= "5.08," &end # # 1775 ARG+ QG 1776 CYS H 5.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "208," r1= "1.30," r2= "1.80," r3= "5.38," r4= "5.88," igr1= "191," "192," &end # # 1775 ARG+ QB 1776 CYS H 4.69 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "208," r1= "1.30," r2= "1.80," r3= "4.69," r4= "5.19," igr1= "188," "189," &end # # 1776 CYS H 1776 CYS HB- 3.37 (# ) &rst ixpk= "0," nxpk= "0," iat= "208," "-1," r1= "1.30," r2= "1.80," r3= "3.37," r4= "3.87," igr2= "212," "213," &end # # 1776 CYS H 1776 CYS HB+ 3.47 (# ) &rst ixpk= "0," nxpk= "0," iat= "208," "-1," r1= "1.30," r2= "1.80," r3= "3.47," r4= "3.97," igr2= "212," "213," &end # # 1773 ILE HA 1776 CYS H 4.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "150," "208," r1= "1.30," r2= "1.80," r3= "4.23," r4= "4.73," &end # # 1776 CYS H 1777 ILE H 3.27 (# ) &rst ixpk= "0," nxpk= "0," iat= "208," "219," r1= "1.30," r2= "1.80," r3= "3.27," r4= "3.77," &end # # 1773 ILE QG2 1776 CYS H 5.78 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "208," r1= "1.30," r2= "1.80," r3= "5.78," r4= "6.28," igr1= "154," "155," "156," &end # # 1776 CYS H 1826 LEU QQD 5.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "208," "-1," r1= "1.30," r2= "1.80," r3= "5.64," r4= "6.14," igr2= "980," "981," "982," "984," "985," "986," &end # # 3043 LEU H 3043 LEU QQD 4.77 (# ) &rst ixpk= "0," nxpk= "0," iat= "2143," "-1," r1= "1.30," r2= "1.80," r3= "4.77," r4= "5.27," igr2= "2152," "2153," "2154," "2156," "2157," "2158," &end # # 3043 LEU H 3043 LEU HB+ 3.37 (# ) &rst ixpk= "0," nxpk= "0," iat= "2143," "-1," r1= "1.30," r2= "1.80," r3= "3.37," r4= "3.87," igr2= "2147," "2148," &end # # 3042 ASP- QB 3043 LEU H 3.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2143," r1= "1.30," r2= "1.80," r3= "3.83," r4= "4.33," igr1= "2135," "2136," &end # # 3042 ASP- HA 3043 LEU H 3.82 (# ) &rst ixpk= "0," nxpk= "0," iat= "2133," "2143," r1= "1.30," r2= "1.80," r3= "3.82," r4= "4.32," &end # # 3039 ALA HA 3043 LEU H 5.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "2094," "2143," r1= "1.30," r2= "1.80," r3= "5.55," r4= "6.05," &end # # 1829 TYR QE 3043 LEU H 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2143," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1022," "1027," &end # # 3053 TRP H 3053 TRP QB 3.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "2298," "-1," r1= "1.30," r2= "1.80," r3= "3.98," r4= "4.48," igr2= "2302," "2303," &end # # 3052 GLN QG 3053 TRP H 5.26 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2298," r1= "1.30," r2= "1.80," r3= "5.26," r4= "5.76," igr1= "2288," "2289," &end # # 3052 GLN QB 3053 TRP H 5.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2298," r1= "1.30," r2= "1.80," r3= "5.79," r4= "6.29," igr1= "2285," "2286," &end # # 1788 ASN H 1789 ALA H 4.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "390," "404," r1= "1.30," r2= "1.80," r3= "4.98," r4= "5.48," &end # # 1786 CYS- H 1788 ASN H 5.65 (# ) &rst ixpk= "0," nxpk= "0," iat= "356," "390," r1= "1.30," r2= "1.80," r3= "5.65," r4= "6.15," &end # # 1788 ASN H 1791 CYS- H 5.04 (# ) &rst ixpk= "0," nxpk= "0," iat= "390," "428," r1= "1.30," r2= "1.80," r3= "5.04," r4= "5.54," &end # # 1788 ASN H 1788 ASN QD2 5.56 (# ) &rst ixpk= "0," nxpk= "0," iat= "390," "-1," r1= "1.30," r2= "1.80," r3= "5.56," r4= "6.06," igr2= "399," "400," &end # # 1787 ARG+ HA 1788 ASN H 3.26 (# ) &rst ixpk= "0," nxpk= "0," iat= "368," "390," r1= "1.30," r2= "1.80," r3= "3.26," r4= "3.76," &end # # 1786 CYS- HA 1788 ASN H 3.89 (# ) &rst ixpk= "0," nxpk= "0," iat= "358," "390," r1= "1.30," r2= "1.80," r3= "3.89," r4= "4.39," &end # # 1788 ASN H 1788 ASN HB+ 2.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "390," "-1," r1= "1.30," r2= "1.80," r3= "2.88," r4= "3.38," igr2= "394," "395," &end # # 1788 ASN H 1788 ASN HB- 3.05 (# ) &rst ixpk= "0," nxpk= "0," iat= "390," "-1," r1= "1.30," r2= "1.80," r3= "3.05," r4= "3.55," igr2= "394," "395," &end # # 1787 ARG+ HB+ 1788 ASN H 4.62 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "390," r1= "1.30," r2= "1.80," r3= "4.62," r4= "5.12," igr1= "370," "371," &end # # 1786 CYS- HB- 1788 ASN H 4.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "390," r1= "1.30," r2= "1.80," r3= "4.72," r4= "5.22," igr1= "361," "360," &end # # 1787 ARG+ HB- 1788 ASN H 4.27 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "390," r1= "1.30," r2= "1.80," r3= "4.27," r4= "4.77," igr1= "370," "371," &end # # 3010 VAL H 3011 GLU- H 4.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1633," "1649," r1= "1.30," r2= "1.80," r3= "4.50," r4= "5.00," &end # # 3008 PRO HA 3010 VAL H 4.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "1618," "1633," r1= "1.30," r2= "1.80," r3= "4.61," r4= "5.11," &end # # 3009 SER HA 3010 VAL H 3.35 (# ) &rst ixpk= "0," nxpk= "0," iat= "1624," "1633," r1= "1.30," r2= "1.80," r3= "3.35," r4= "3.85," &end # # 3009 SER QB 3010 VAL H 4.77 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1633," r1= "1.30," r2= "1.80," r3= "4.77," r4= "5.27," igr1= "1626," "1627," &end # # 3010 VAL H 3010 VAL HB 3.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "1633," "1637," r1= "1.30," r2= "1.80," r3= "3.66," r4= "4.16," &end # # 3010 VAL H 3010 VAL QQG 4.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "1633," "-1," r1= "1.30," r2= "1.80," r3= "4.07," r4= "4.57," igr2= "1639," "1640," "1641," "1643," "1644," "1645," &end # # 3004 PRO QG 3005 GLN H 4.91 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1568," r1= "1.30," r2= "1.80," r3= "4.91," r4= "5.41," igr1= "1558," "1559," &end # # 3003 GLU- QG 3005 GLN H 4.31 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1568," r1= "1.30," r2= "1.80," r3= "4.31," r4= "4.81," igr1= "1546," "1547," &end # # 3005 GLN H 3005 GLN QG 5.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "1568," "-1," r1= "1.30," r2= "1.80," r3= "5.66," r4= "6.16," igr2= "1575," "1576," &end # # 3005 GLN H 3005 GLN HA 2.91 (# ) &rst ixpk= "0," nxpk= "0," iat= "1568," "1570," r1= "1.30," r2= "1.80," r3= "2.91," r4= "3.41," &end # # 1777 ILE H 1826 LEU QQD 4.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "219," "-1," r1= "1.30," r2= "1.80," r3= "4.17," r4= "4.67," igr2= "980," "981," "982," "984," "985," "986," &end # # 1777 ILE H 1777 ILE HG12 3.59 (# ) &rst ixpk= "0," nxpk= "0," iat= "219," "229," r1= "1.30," r2= "1.80," r3= "3.59," r4= "4.09," &end # # 1777 ILE H 1777 ILE HG13 3.59 (# ) &rst ixpk= "0," nxpk= "0," iat= "219," "230," r1= "1.30," r2= "1.80," r3= "3.59," r4= "4.09," &end # # 1777 ILE H 1777 ILE HB 2.94 (# ) &rst ixpk= "0," nxpk= "0," iat= "219," "223," r1= "1.30," r2= "1.80," r3= "2.94," r4= "3.44," &end # # 1776 CYS HB- 1777 ILE H 3.69 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "219," r1= "1.30," r2= "1.80," r3= "3.69," r4= "4.19," igr1= "212," "213," &end # # 1774 GLN HA 1777 ILE H 3.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "169," "219," r1= "1.30," r2= "1.80," r3= "3.66," r4= "4.16," &end # # 1776 CYS HB+ 1777 ILE H 3.58 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "219," r1= "1.30," r2= "1.80," r3= "3.58," r4= "4.08," igr1= "212," "213," &end # # 1777 ILE H 1778 GLN H 4.1 (# ) &rst ixpk= "0," nxpk= "0," iat= "219," "238," r1= "1.30," r2= "1.80," r3= "4.10," r4= "4.60," &end # # 3018 THR HB 3019 PHE H 4.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "1758," "1768," r1= "1.30," r2= "1.80," r3= "4.70," r4= "5.20," &end # # 3019 PHE H 3019 PHE QB 4.05 (# ) &rst ixpk= "0," nxpk= "0," iat= "1768," "-1," r1= "1.30," r2= "1.80," r3= "4.05," r4= "4.55," igr2= "1772," "1773," &end # # 3041 ASP- H 3041 ASP- HA 2.91 (# ) &rst ixpk= "0," nxpk= "0," iat= "2119," "2121," r1= "1.30," r2= "1.80," r3= "2.91," r4= "3.41," &end # # 3041 ASP- H 3041 ASP- QB 3.29 (# ) &rst ixpk= "0," nxpk= "0," iat= "2119," "-1," r1= "1.30," r2= "1.80," r3= "3.29," r4= "3.79," igr2= "2123," "2124," &end # # 3040 MET QE 3041 ASP- H 4.49 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2119," r1= "1.30," r2= "1.80," r3= "4.49," r4= "4.99," igr1= "2113," "2114," "2115," &end # # 3039 ALA QB 3041 ASP- H 5.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2119," r1= "1.30," r2= "1.80," r3= "5.34," r4= "5.84," igr1= "2096," "2097," "2098," &end # # 1803 VAL H 1803 VAL QG1 4.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "621," "-1," r1= "1.30," r2= "1.80," r3= "4.79," r4= "5.29," igr2= "627," "628," "629," &end # # 1802 VAL QG1 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= "611," "612," "613," &end # # 1779 SER HA 1781 VAL H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "257," "285," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1778 GLN HA 1781 VAL H 3.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "240," "285," r1= "1.30," r2= "1.80," r3= "3.73," r4= "4.23," &end # # 1780 LEU HB+ 1781 VAL H 4.24 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "285," r1= "1.30," r2= "1.80," r3= "4.24," r4= "4.74," igr1= "270," "271," &end # # 1781 VAL H 1781 VAL HB 3.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "285," "289," r1= "1.30," r2= "1.80," r3= "3.41," r4= "3.91," &end # # 1781 VAL H 1783 ALA QB 6.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "285," "-1," r1= "1.30," r2= "1.80," r3= "6.43," r4= "6.93," igr2= "322," "323," "324," &end # # 1780 LEU HB- 1781 VAL H 4.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "285," r1= "1.30," r2= "1.80," r3= "4.12," r4= "4.62," igr1= "270," "271," &end # # 1780 LEU HG 1781 VAL H 4.8 (# ) &rst ixpk= "0," nxpk= "0," iat= "273," "285," r1= "1.30," r2= "1.80," r3= "4.80," r4= "5.30," &end # # 1780 LEU QQD 1781 VAL H 5.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "285," r1= "1.30," r2= "1.80," r3= "5.32," r4= "5.82," igr1= "275," "276," "277," "279," "280," "281," &end # # 1781 VAL H 1781 VAL QG2 4.29 (# ) &rst ixpk= "0," nxpk= "0," iat= "285," "-1," r1= "1.30," r2= "1.80," r3= "4.29," r4= "4.79," igr2= "295," "296," "297," &end # # 1771 LEU QQD 1775 ARG+ H 7.27 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "184," r1= "1.30," r2= "1.80," r3= "7.27," r4= "7.77," igr1= "127," "128," "129," "131," "132," "133," &end # # 1775 ARG+ H 1775 ARG+ QB 3.65 (# ) &rst ixpk= "0," nxpk= "0," iat= "184," "-1," r1= "1.30," r2= "1.80," r3= "3.65," r4= "4.15," igr2= "188," "189," &end # # 1774 GLN HB- 1775 ARG+ H 3.31 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "184," r1= "1.30," r2= "1.80," r3= "3.31," r4= "3.81," igr1= "171," "172," &end # # 1774 GLN QG 1775 ARG+ H 5.31 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "184," r1= "1.30," r2= "1.80," r3= "5.31," r4= "5.81," igr1= "174," "175," &end # # 1775 ARG+ H 1775 ARG+ QD 3.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "184," "-1," r1= "1.30," r2= "1.80," r3= "3.66," r4= "4.16," igr2= "194," "195," &end # # 1775 ARG+ H 1776 CYS H 3.56 (# ) &rst ixpk= "0," nxpk= "0," iat= "184," "208," r1= "1.30," r2= "1.80," r3= "3.56," r4= "4.06," &end # # 3042 ASP- H 3043 LEU H 3.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "2131," "2143," r1= "1.30," r2= "1.80," r3= "3.34," r4= "3.84," &end # # 3042 ASP- H 3042 ASP- QB 4.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "2131," "-1," r1= "1.30," r2= "1.80," r3= "4.01," r4= "4.51," igr2= "2135," "2136," &end # # 1802 VAL QG1 1823 LEU H 6.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "923," r1= "1.30," r2= "1.80," r3= "6.38," r4= "6.88," igr1= "611," "612," "613," &end # # 1819 VAL QG1 1823 LEU H 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "923," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "864," "865," "866," &end # # 3051 GLU- H 3052 GLN H 3.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "2266," "2281," r1= "1.30," r2= "1.80," r3= "3.72," r4= "4.22," &end # # 3050 ILE H 3051 GLU- H 4.03 (# ) &rst ixpk= "0," nxpk= "0," iat= "2247," "2266," r1= "1.30," r2= "1.80," r3= "4.03," r4= "4.53," &end # # 1768 SER HA 1771 LEU H 3.71 (# ) &rst ixpk= "0," nxpk= "0," iat= "61," "118," r1= "1.30," r2= "1.80," r3= "3.71," r4= "4.21," &end # # 3050 ILE HB 3051 GLU- H 4.28 (# ) &rst ixpk= "0," nxpk= "0," iat= "2251," "2266," r1= "1.30," r2= "1.80," r3= "4.28," r4= "4.78," &end # # 3050 ILE QG2 3051 GLU- H 4.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2266," r1= "1.30," r2= "1.80," r3= "4.52," r4= "5.02," igr1= "2253," "2254," "2255," &end # # 1823 LEU H 3054 PHE QD 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "923," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "2330," "2338," &end # # 1804 GLN H 1805 HIS H 3.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "637," "654," r1= "1.30," r2= "1.80," r3= "3.98," r4= "4.48," &end # # 1805 HIS H 1805 HIS HB+ 3.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "654," "-1," r1= "1.30," r2= "1.80," r3= "3.66," r4= "4.16," igr2= "658," "659," &end # # 1802 VAL HA 1805 HIS H 4.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "607," "654," r1= "1.30," r2= "1.80," r3= "4.13," r4= "4.63," &end # # 1805 HIS H 1805 HIS HB- 3.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "654," "-1," r1= "1.30," r2= "1.80," r3= "3.07," r4= "3.57," igr2= "658," "659," &end # # 1777 ILE QG2 1778 GLN H 4.28 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "238," r1= "1.30," r2= "1.80," r3= "4.28," r4= "4.78," igr1= "225," "226," "227," &end # # 1777 ILE HB 1778 GLN H 3 (# ) &rst ixpk= "0," nxpk= "0," iat= "223," "238," r1= "1.30," r2= "1.80," r3= "3.00," r4= "3.50," &end # # 1778 GLN H 1778 GLN HG- 3.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "238," "-1," r1= "1.30," r2= "1.80," r3= "3.72," r4= "4.22," igr2= "245," "246," &end # # 1778 GLN H 1778 GLN HG+ 3.44 (# ) &rst ixpk= "0," nxpk= "0," iat= "238," "-1," r1= "1.30," r2= "1.80," r3= "3.44," r4= "3.94," igr2= "245," "246," &end # # 1775 ARG+ HA 1778 GLN H 3.65 (# ) &rst ixpk= "0," nxpk= "0," iat= "186," "238," r1= "1.30," r2= "1.80," r3= "3.65," r4= "4.15," &end # # 1850 LYS+ H 1851 LEU H 3.37 (# ) &rst ixpk= "0," nxpk= "0," iat= "1354," "1376," r1= "1.30," r2= "1.80," r3= "3.37," r4= "3.87," &end # # 1828 CYS H 3023 TRP HZ3 5.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "1001," "1847," r1= "1.30," r2= "1.80," r3= "5.70," r4= "6.20," &end # # 1849 HIS HA 1851 LEU H 5.08 (# ) &rst ixpk= "0," nxpk= "0," iat= "1338," "1376," r1= "1.30," r2= "1.80," r3= "5.08," r4= "5.58," &end # # 1848 LYS+ HA 1851 LEU H 3.62 (# ) &rst ixpk= "0," nxpk= "0," iat= "1316," "1376," r1= "1.30," r2= "1.80," r3= "3.62," r4= "4.12," &end # # 1827 CYS HB+ 1828 CYS H 5.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1001," r1= "1.30," r2= "1.80," r3= "5.13," r4= "5.63," igr1= "994," "995," &end # # 1827 CYS HB- 1828 CYS H 5.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1001," r1= "1.30," r2= "1.80," r3= "5.13," r4= "5.63," igr1= "994," "995," &end # # 1851 LEU H 1851 LEU HB+ 4 (# ) &rst ixpk= "0," nxpk= "0," iat= "1376," "-1," r1= "1.30," r2= "1.80," r3= "4.00," r4= "4.50," igr2= "1380," "1381," &end # # 1851 LEU H 1851 LEU HB- 3.04 (# ) &rst ixpk= "0," nxpk= "0," iat= "1376," "-1," r1= "1.30," r2= "1.80," r3= "3.04," r4= "3.54," igr2= "1380," "1381," &end # # 1828 CYS H 1847 ILE QD1 5.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "1001," "-1," r1= "1.30," r2= "1.80," r3= "5.51," r4= "6.01," igr2= "1308," "1309," "1310," &end # # 1851 LEU H 1851 LEU QQD 4.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "1376," "-1," r1= "1.30," r2= "1.80," r3= "4.73," r4= "5.23," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 3021 ASP- HA 3022 LEU H 3.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "1801," "1811," r1= "1.30," r2= "1.80," r3= "3.53," r4= "4.03," &end # # 3021 ASP- HB+ 3022 LEU H 4.48 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1811," r1= "1.30," r2= "1.80," r3= "4.48," r4= "4.98," igr1= "1803," "1804," &end # # 3021 ASP- HB- 3022 LEU H 3.68 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1811," r1= "1.30," r2= "1.80," r3= "3.68," r4= "4.18," igr1= "1803," "1804," &end # # 3022 LEU H 3022 LEU HB+ 4.15 (# ) &rst ixpk= "0," nxpk= "0," iat= "1811," "-1," r1= "1.30," r2= "1.80," r3= "4.15," r4= "4.65," igr2= "1815," "1816," &end # # 3022 LEU H 3022 LEU HB- 4.15 (# ) &rst ixpk= "0," nxpk= "0," iat= "1811," "-1," r1= "1.30," r2= "1.80," r3= "4.15," r4= "4.65," igr2= "1815," "1816," &end # # 1769 ARG+ H 1770 ARG+ H 3.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "70," "94," r1= "1.30," r2= "1.80," r3= "3.53," r4= "4.03," &end # # 1770 ARG+ H 1771 LEU H 3.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "94," "118," r1= "1.30," r2= "1.80," r3= "3.74," r4= "4.24," &end # # 1768 SER H 1770 ARG+ H 5.06 (# ) &rst ixpk= "0," nxpk= "0," iat= "59," "94," r1= "1.30," r2= "1.80," r3= "5.06," r4= "5.56," &end # # 1766 GLN HA 1770 ARG+ H 4.26 (# ) &rst ixpk= "0," nxpk= "0," iat= "29," "94," r1= "1.30," r2= "1.80," r3= "4.26," r4= "4.76," &end # # 1769 ARG+ QD 1770 ARG+ H 5.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "94," r1= "1.30," r2= "1.80," r3= "5.38," r4= "5.88," igr1= "80," "81," &end # # 1770 ARG+ H 1770 ARG+ QD 5.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "94," "-1," r1= "1.30," r2= "1.80," r3= "5.83," r4= "6.33," igr2= "104," "105," &end # # 1767 GLU- QG 1770 ARG+ H 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "94," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "51," "52," &end # # 1766 GLN QB 1770 ARG+ H 5.9 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "94," r1= "1.30," r2= "1.80," r3= "5.90," r4= "6.40," igr1= "31," "32," &end # # 1770 ARG+ H 1770 ARG+ HG+ 4.8 (# ) &rst ixpk= "0," nxpk= "0," iat= "94," "-1," r1= "1.30," r2= "1.80," r3= "4.80," r4= "5.30," igr2= "101," "102," &end # # 1769 ARG+ QB 1770 ARG+ H 3.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "94," r1= "1.30," r2= "1.80," r3= "3.87," r4= "4.37," igr1= "74," "75," &end # # 1770 ARG+ H 1770 ARG+ QB 3.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "94," "-1," r1= "1.30," r2= "1.80," r3= "3.87," r4= "4.37," igr2= "98," "99," &end # # 1770 ARG+ H 1770 ARG+ HG- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "94," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "101," "102," &end # # 1770 ARG+ H 1773 ILE QD1 6.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "94," "-1," r1= "1.30," r2= "1.80," r3= "6.34," r4= "6.84," igr2= "161," "162," "163," &end # # 1773 ILE QD1 1774 GLN H 5.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "167," r1= "1.30," r2= "1.80," r3= "5.84," r4= "6.34," igr1= "161," "162," "163," &end # # 1773 ILE QG2 1774 GLN H 4.31 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "167," r1= "1.30," r2= "1.80," r3= "4.31," r4= "4.81," igr1= "154," "155," "156," &end # # 1771 LEU QQD 1774 GLN H 6.54 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "167," r1= "1.30," r2= "1.80," r3= "6.54," r4= "7.04," igr1= "127," "128," "129," "131," "132," "133," &end # # 1773 ILE HB 1774 GLN H 3.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "152," "167," r1= "1.30," r2= "1.80," r3= "3.41," r4= "3.91," &end # # 1774 GLN H 1774 GLN HB- 2.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "167," "-1," r1= "1.30," r2= "1.80," r3= "2.88," r4= "3.38," igr2= "171," "172," &end # # 1774 GLN H 1774 GLN HG- 3.45 (# ) &rst ixpk= "0," nxpk= "0," iat= "167," "-1," r1= "1.30," r2= "1.80," r3= "3.45," r4= "3.95," igr2= "174," "175," &end # # 1770 ARG+ HA 1774 GLN H 4.27 (# ) &rst ixpk= "0," nxpk= "0," iat= "96," "167," r1= "1.30," r2= "1.80," r3= "4.27," r4= "4.77," &end # # 1774 GLN H 1775 ARG+ H 3.39 (# ) &rst ixpk= "0," nxpk= "0," iat= "167," "184," r1= "1.30," r2= "1.80," r3= "3.39," r4= "3.89," &end # # 1854 GLN H 1854 GLN QG 4.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "1436," "-1," r1= "1.30," r2= "1.80," r3= "4.86," r4= "5.36," igr2= "1443," "1444," &end # # 1854 GLN H 1855 GLN H 4.62 (# ) &rst ixpk= "0," nxpk= "0," iat= "1436," "1453," r1= "1.30," r2= "1.80," r3= "4.62," r4= "5.12," &end # # 1853 GLN H 1853 GLN QG 4.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "1419," "-1," r1= "1.30," r2= "1.80," r3= "4.93," r4= "5.43," igr2= "1426," "1427," &end # # 1853 GLN H 1853 GLN HB- 3.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "1419," "-1," r1= "1.30," r2= "1.80," r3= "3.46," r4= "3.96," igr2= "1423," "1424," &end # # 1852 ARG+ H 1853 GLN H 4.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "1395," "1419," r1= "1.30," r2= "1.80," r3= "4.86," r4= "5.36," &end # # 1849 HIS QB 1850 LYS+ H 3.78 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1354," r1= "1.30," r2= "1.80," r3= "3.78," r4= "4.28," igr1= "1340," "1341," &end # # 1850 LYS+ H 1851 LEU HB- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1354," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "1380," "1381," &end # # 1849 HIS H 1850 LYS+ H 3.82 (# ) &rst ixpk= "0," nxpk= "0," iat= "1336," "1354," r1= "1.30," r2= "1.80," r3= "3.82," r4= "4.32," &end # # 1855 GLN H 1855 GLN QG 3.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "1453," "-1," r1= "1.30," r2= "1.80," r3= "3.33," r4= "3.83," igr2= "1460," "1461," &end # # 1826 LEU H 1826 LEU QB 3.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "971," "-1," r1= "1.30," r2= "1.80," r3= "3.32," r4= "3.82," igr2= "975," "976," &end # # 1826 LEU H 1826 LEU HG 4.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "971," "978," r1= "1.30," r2= "1.80," r3= "4.64," r4= "5.14," &end # # 1799 MET HA 1801 ARG+ H 5.04 (# ) &rst ixpk= "0," nxpk= "0," iat= "544," "581," r1= "1.30," r2= "1.80," r3= "5.04," r4= "5.54," &end # # 1797 GLN HA 1801 ARG+ H 4.04 (# ) &rst ixpk= "0," nxpk= "0," iat= "505," "581," r1= "1.30," r2= "1.80," r3= "4.04," r4= "4.54," &end # # 1801 ARG+ H 1801 ARG+ QD 4.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "581," "-1," r1= "1.30," r2= "1.80," r3= "4.74," r4= "5.24," igr2= "591," "592," &end # # 1801 ARG+ H 1804 GLN QG 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "581," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "644," "645," &end # # 1802 VAL HB 1801 ARG+ H 4.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "609," "581," r1= "1.30," r2= "1.80," r3= "4.93," r4= "5.43," &end # # 1801 ARG+ H 1801 ARG+ QB 4.21 (# ) &rst ixpk= "0," nxpk= "0," iat= "581," "-1," r1= "1.30," r2= "1.80," r3= "4.21," r4= "4.71," igr2= "585," "586," &end # # 1800 LYS+ HB- 1801 ARG+ H 4.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "581," r1= "1.30," r2= "1.80," r3= "4.13," r4= "4.63," igr1= "563," "564," &end # # 1801 ARG+ H 1801 ARG+ QG 4.31 (# ) &rst ixpk= "0," nxpk= "0," iat= "581," "-1," r1= "1.30," r2= "1.80," r3= "4.31," r4= "4.81," igr2= "588," "589," &end # # 1800 LYS+ H 1801 ARG+ H 3.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "559," "581," r1= "1.30," r2= "1.80," r3= "3.14," r4= "3.64," &end # # 1799 MET H 1801 ARG+ H 5.22 (# ) &rst ixpk= "0," nxpk= "0," iat= "542," "581," r1= "1.30," r2= "1.80," r3= "5.22," r4= "5.72," &end # # 1801 ARG+ H 1803 VAL H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "581," "621," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1849 HIS HA 1852 ARG+ H 3.71 (# ) &rst ixpk= "0," nxpk= "0," iat= "1338," "1395," r1= "1.30," r2= "1.80," r3= "3.71," r4= "4.21," &end # # 1848 LYS+ HA 1852 ARG+ H 4.8 (# ) &rst ixpk= "0," nxpk= "0," iat= "1316," "1395," r1= "1.30," r2= "1.80," r3= "4.80," r4= "5.30," &end # # 1849 HIS QB 1852 ARG+ H 5.54 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1395," r1= "1.30," r2= "1.80," r3= "5.54," r4= "6.04," igr1= "1340," "1341," &end # # 1852 ARG+ H 1852 ARG+ QD 5.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "1395," "-1," r1= "1.30," r2= "1.80," r3= "5.83," r4= "6.33," igr2= "1405," "1406," &end # # 1852 ARG+ H 1852 ARG+ QB 3.76 (# ) &rst ixpk= "0," nxpk= "0," iat= "1395," "-1," r1= "1.30," r2= "1.80," r3= "3.76," r4= "4.26," igr2= "1399," "1400," &end # # 1851 LEU HB- 1852 ARG+ H 4.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1395," r1= "1.30," r2= "1.80," r3= "4.13," r4= "4.63," igr1= "1380," "1381," &end # # 1851 LEU QQD 1852 ARG+ H 5.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1395," r1= "1.30," r2= "1.80," r3= "5.97," r4= "6.47," igr1= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1851 LEU H 1852 ARG+ H 3 (# ) &rst ixpk= "0," nxpk= "0," iat= "1376," "1395," r1= "1.30," r2= "1.80," r3= "3.00," r4= "3.50," &end # # 1849 HIS HD2 1852 ARG+ H 5.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "1350," "1395," r1= "1.30," r2= "1.80," r3= "5.70," r4= "6.20," &end # # 3030 ASN HB+ 3031 VAL H 4.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1971," r1= "1.30," r2= "1.80," r3= "4.33," r4= "4.83," igr1= "1961," "1962," &end # # 3030 ASN HB- 3031 VAL H 4.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1971," r1= "1.30," r2= "1.80," r3= "4.33," r4= "4.83," igr1= "1961," "1962," &end # # 3031 VAL H 3031 VAL HB 3.78 (# ) &rst ixpk= "0," nxpk= "0," iat= "1971," "1975," r1= "1.30," r2= "1.80," r3= "3.78," r4= "4.28," &end # # 3031 VAL H 3031 VAL QG1 3.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "1971," "-1," r1= "1.30," r2= "1.80," r3= "3.84," r4= "4.34," igr2= "1977," "1978," "1979," &end # # 3030 ASN H 3030 ASN HB+ 3.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "1957," "-1," r1= "1.30," r2= "1.80," r3= "3.98," r4= "4.48," igr2= "1961," "1962," &end # # 3030 ASN H 3030 ASN HB- 3.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "1957," "-1," r1= "1.30," r2= "1.80," r3= "3.98," r4= "4.48," igr2= "1961," "1962," &end # # 3030 ASN H 3031 VAL H 4.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "1957," "1971," r1= "1.30," r2= "1.80," r3= "4.23," r4= "4.73," &end # # 3047 PRO QD 3048 ASP- H 3.65 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2223," r1= "1.30," r2= "1.80," r3= "3.65," r4= "4.15," igr1= "2210," "2211," &end # # 3044 MET H 3044 MET HG+ 4.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "2162," "-1," r1= "1.30," r2= "1.80," r3= "4.12," r4= "4.62," igr2= "2169," "2170," &end # # 3047 PRO QG 3048 ASP- H 5.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2223," r1= "1.30," r2= "1.80," r3= "5.23," r4= "5.73," igr1= "2213," "2214," &end # # 3048 ASP- H 3049 ASP- H 3.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "2223," "2235," r1= "1.30," r2= "1.80," r3= "3.99," r4= "4.49," &end # # 3040 MET H 3040 MET QE 5.25 (# ) &rst ixpk= "0," nxpk= "0," iat= "2102," "-1," r1= "1.30," r2= "1.80," r3= "5.25," r4= "5.75," igr2= "2113," "2114," "2115," &end # # 3039 ALA QB 3040 MET H 4.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2102," r1= "1.30," r2= "1.80," r3= "4.12," r4= "4.62," igr1= "2096," "2097," "2098," &end # # 3039 ALA HA 3040 MET H 3.58 (# ) &rst ixpk= "0," nxpk= "0," iat= "2094," "2102," r1= "1.30," r2= "1.80," r3= "3.58," r4= "4.08," &end # # 1803 VAL QG1 1804 GLN H 3.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "637," r1= "1.30," r2= "1.80," r3= "3.86," r4= "4.36," igr1= "627," "628," "629," &end # # 1804 GLN H 1804 GLN QG 3.63 (# ) &rst ixpk= "0," nxpk= "0," iat= "637," "-1," r1= "1.30," r2= "1.80," r3= "3.63," r4= "4.13," igr2= "644," "645," &end # # 3005 GLN HA 3006 SER H 4.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "1570," "1585," r1= "1.30," r2= "1.80," r3= "4.14," r4= "4.64," &end # # 3006 SER H 3006 SER QB 4.03 (# ) &rst ixpk= "0," nxpk= "0," iat= "1585," "-1," r1= "1.30," r2= "1.80," r3= "4.03," r4= "4.53," igr2= "1589," "1590," &end # # 3029 ASN H 3029 ASN HB- 3.59 (# ) &rst ixpk= "0," nxpk= "0," iat= "1943," "-1," r1= "1.30," r2= "1.80," r3= "3.59," r4= "4.09," igr2= "1947," "1948," &end # # 1766 GLN H 1767 GLU- H 3.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "27," "44," r1= "1.30," r2= "1.80," r3= "3.84," r4= "4.34," &end # # 1764 SER HA 1766 GLN H 4.81 (# ) &rst ixpk= "0," nxpk= "0," iat= "4," "27," r1= "1.30," r2= "1.80," r3= "4.81," r4= "5.31," &end # # 1764 SER QB 1766 GLN H 4.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "27," r1= "1.30," r2= "1.80," r3= "4.84," r4= "5.34," igr1= "6," "7," &end # # 1766 GLN H 1766 GLN QG 4.28 (# ) &rst ixpk= "0," nxpk= "0," iat= "27," "-1," r1= "1.30," r2= "1.80," r3= "4.28," r4= "4.78," igr2= "34," "35," &end # # 1766 GLN H 1766 GLN HB- 2.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "27," "-1," r1= "1.30," r2= "1.80," r3= "2.79," r4= "3.29," igr2= "31," "32," &end # # 1826 LEU QQD 1827 CYS H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "990," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "980," "981," "982," "984," "985," "986," &end # # 1826 LEU QB 1827 CYS H 4.44 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "990," r1= "1.30," r2= "1.80," r3= "4.44," r4= "4.94," igr1= "975," "976," &end # # 1827 CYS H 1827 CYS HB- 3.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "990," "-1," r1= "1.30," r2= "1.80," r3= "3.83," r4= "4.33," igr2= "994," "995," &end # # 1827 CYS H 1827 CYS HB+ 3.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "990," "-1," r1= "1.30," r2= "1.80," r3= "3.83," r4= "4.33," igr2= "994," "995," &end # # 3058 PRO HA 3059 GLY H 3.09 (# ) &rst ixpk= "0," nxpk= "0," iat= "2393," "2397," r1= "1.30," r2= "1.80," r3= "3.09," r4= "3.59," &end # # 3058 PRO HB+ 3059 GLY H 4.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2397," r1= "1.30," r2= "1.80," r3= "4.42," r4= "4.92," igr1= "2390," "2391," &end # # 3058 PRO HB- 3059 GLY H 4.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2397," r1= "1.30," r2= "1.80," r3= "4.42," r4= "4.92," igr1= "2390," "2391," &end # # 1855 GLN HA 2001 GLY H 3.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "1455," "1470," r1= "1.30," r2= "1.80," r3= "3.55," r4= "4.05," &end # # 3028 GLU- QG 3029 ASN H 4.77 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1943," r1= "1.30," r2= "1.80," r3= "4.77," r4= "5.27," igr1= "1935," "1936," &end # # 1790 ASN H 1790 ASN HD2+ 3.67 (# ) &rst ixpk= "0," nxpk= "0," iat= "414," "-1," r1= "1.30," r2= "1.80," r3= "3.67," r4= "4.17," igr2= "423," "424," &end # # 1790 ASN H 1790 ASN HD2- 3.77 (# ) &rst ixpk= "0," nxpk= "0," iat= "414," "-1," r1= "1.30," r2= "1.80," r3= "3.77," r4= "4.27," igr2= "423," "424," &end # # 1790 ASN HA 1790 ASN QD2 4.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "416," "-1," r1= "1.30," r2= "1.80," r3= "4.64," r4= "5.14," igr2= "423," "424," &end # # 1790 ASN HB+ 1790 ASN HD2- 3.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.46," r4= "3.96," igr1= "418," "419," igr2= "423," "424," &end # # 1789 ALA QB 1790 ASN HD2- 5.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.46," r4= "5.96," igr1= "408," "409," "410," igr2= "423," "424," &end # # 1789 ALA QB 1790 ASN HD2+ 5.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.72," r4= "6.22," igr1= "408," "409," "410," igr2= "423," "424," &end # # 1790 ASN HB+ 1790 ASN HD2+ 3.89 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.89," r4= "4.39," igr1= "418," "419," igr2= "423," "424," &end # # 1837 ASN H 1837 ASN HD2- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1142," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "1151," "1152," &end # # 1837 ASN HD2- 1838 LYS+ H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1156," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "1151," "1152," &end # # 1837 ASN H 1837 ASN HD2+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1142," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "1151," "1152," &end # # 1837 ASN QB 1837 ASN HD2- 4.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.42," r4= "4.92," igr1= "1146," "1147," igr2= "1151," "1152," &end # # 1837 ASN HD2- 1845 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= "1151," "1152," igr2= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1814 ASN HB- 1814 ASN HD2+ 3.81 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.81," r4= "4.31," igr1= "810," "811," igr2= "815," "816," &end # # 1837 ASN QB 1837 ASN HD2+ 4.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.42," r4= "4.92," igr1= "1146," "1147," igr2= "1151," "1152," &end # # 1775 ARG+ HA 1778 GLN HE2+ 4.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "186," "-1," r1= "1.30," r2= "1.80," r3= "4.83," r4= "5.33," igr2= "250," "251," &end # # 1770 ARG+ QG 1774 GLN HE2+ 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "101," "102," igr2= "179," "180," &end # # 1770 ARG+ QG 1774 GLN HE2- 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "101," "102," igr2= "179," "180," &end # # 1788 ASN HD2+ 1792 SER H 4.63 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "438," r1= "1.30," r2= "1.80," r3= "4.63," r4= "5.13," igr1= "399," "400," &end # # 1788 ASN HD2+ 1790 ASN H 4.09 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "414," r1= "1.30," r2= "1.80," r3= "4.09," r4= "4.59," igr1= "399," "400," &end # # 1788 ASN HD2+ 1788 ASN HA 4.75 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "392," r1= "1.30," r2= "1.80," r3= "4.75," r4= "5.25," igr1= "399," "400," &end # # 1788 ASN HD2+ 1791 CYS- HA 3.27 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "430," r1= "1.30," r2= "1.80," r3= "3.27," r4= "3.77," igr1= "399," "400," &end # # 1788 ASN HB- 1788 ASN HD2+ 3.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.88," r4= "4.38," igr1= "394," "395," igr2= "399," "400," &end # # 1788 ASN HB+ 1788 ASN HD2+ 3.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.72," r4= "4.22," igr1= "394," "395," igr2= "399," "400," &end # # 1788 ASN HD2+ 1790 ASN HB- 5.04 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.04," r4= "5.54," igr1= "399," "400," igr2= "418," "419," &end # # 1788 ASN HA 1788 ASN HD2- 5.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "392," "-1," r1= "1.30," r2= "1.80," r3= "5.13," r4= "5.63," igr2= "399," "400," &end # # 1788 ASN HD2- 1791 CYS- HA 3.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "430," r1= "1.30," r2= "1.80," r3= "3.19," r4= "3.69," igr1= "399," "400," &end # # 1788 ASN HB+ 1788 ASN HD2- 2.9 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "2.90," r4= "3.40," igr1= "394," "395," igr2= "399," "400," &end # # 1788 ASN HB- 1788 ASN HD2- 3.31 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.31," r4= "3.81," igr1= "394," "395," igr2= "399," "400," &end # # 1788 ASN HD2- 1790 ASN HB- 4.4 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.40," r4= "4.90," igr1= "399," "400," igr2= "418," "419," &end # # 1788 ASN HD2- 1792 SER H 4.29 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "438," r1= "1.30," r2= "1.80," r3= "4.29," r4= "4.79," igr1= "399," "400," &end # # 1788 ASN HD2- 1790 ASN H 4.54 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "414," r1= "1.30," r2= "1.80," r3= "4.54," r4= "5.04," igr1= "399," "400," &end # # 3016 GLN HA 3016 GLN HE2+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1724," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "1734," "1735," &end # # 3016 GLN HA 3016 GLN HE2- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1724," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "1734," "1735," &end # # 3005 GLN QG 3005 GLN HE2+ 4.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.14," r4= "4.64," igr1= "1575," "1576," igr2= "1580," "1581," &end # # 3005 GLN QG 3005 GLN HE2- 4.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.14," r4= "4.64," igr1= "1575," "1576," igr2= "1580," "1581," &end # # 3038 GLN QG 3038 GLN HE2- 4.31 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.31," r4= "4.81," igr1= "2082," "2083," igr2= "2087," "2088," &end # # 1837 ASN HD2+ 1845 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= "1151," "1152," igr2= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1814 ASN HB- 1814 ASN HD2- 3.81 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.81," r4= "4.31," igr1= "810," "811," igr2= "815," "816," &end # # 3038 GLN QG 3038 GLN HE2+ 4.31 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.31," r4= "4.81," igr1= "2082," "2083," igr2= "2087," "2088," &end # # 1835 GLN H 1835 GLN HE2+ 4.56 (# ) &rst ixpk= "0," nxpk= "0," iat= "1110," "-1," r1= "1.30," r2= "1.80," r3= "4.56," r4= "5.06," igr2= "1122," "1123," &end # # 1835 GLN H 1835 GLN HE2- 4.37 (# ) &rst ixpk= "0," nxpk= "0," iat= "1110," "-1," r1= "1.30," r2= "1.80," r3= "4.37," r4= "4.87," igr2= "1122," "1123," &end # # 1835 GLN HE2+ 1836 GLU- H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1127," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "1122," "1123," &end # # 1835 GLN HE2- 1836 GLU- H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1127," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "1122," "1123," &end # # 1835 GLN HB- 1835 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= "1114," "1115," igr2= "1122," "1123," &end # # 1835 GLN HB- 1835 GLN HE2- 4.65 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.65," r4= "5.15," igr1= "1114," "1115," igr2= "1122," "1123," &end # # 3052 GLN QG 3052 GLN HE2- 3.76 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.76," r4= "4.26," igr1= "2288," "2289," igr2= "2293," "2294," &end # # 3052 GLN HA 3052 GLN HE2- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "2283," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "2293," "2294," &end # # 3052 GLN QB 3052 GLN HE2- 6.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.16," r4= "6.66," igr1= "2285," "2286," igr2= "2293," "2294," &end # # 3052 GLN QE 3055 THR QG2 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "2293," "2294," igr2= "2348," "2349," "2350," &end # # 3052 GLN QB 3052 GLN HE2+ 4.95 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.95," r4= "5.45," igr1= "2285," "2286," igr2= "2293," "2294," &end # # 3052 GLN HA 3052 GLN HE2+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "2283," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "2293," "2294," &end # # 1766 GLN H 1766 GLN QE2 5.48 (# ) &rst ixpk= "0," nxpk= "0," iat= "27," "-1," r1= "1.30," r2= "1.80," r3= "5.48," r4= "5.98," igr2= "39," "40," &end # # 1766 GLN QE2 1767 GLU- H 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "44," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "39," "40," &end # # 1766 GLN HA 1766 GLN HE2+ 4.44 (# ) &rst ixpk= "0," nxpk= "0," iat= "29," "-1," r1= "1.30," r2= "1.80," r3= "4.44," r4= "4.94," igr2= "39," "40," &end # # 1766 GLN HG- 1766 GLN HE2+ 3.62 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.62," r4= "4.12," igr1= "34," "35," igr2= "39," "40," &end # # 1766 GLN QE2 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= "39," "40," igr2= "74," "75," &end # # 1766 GLN HA 1766 GLN HE2- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "29," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "39," "40," &end # # 1766 GLN QE2 1769 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= "39," "40," igr2= "80," "81," &end # # 1766 GLN HG- 1766 GLN HE2- 3.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.53," r4= "4.03," igr1= "34," "35," igr2= "39," "40," &end # # 1766 GLN HB+ 1766 GLN HE2- 4.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.99," r4= "5.49," igr1= "31," "32," igr2= "39," "40," &end # # 1766 GLN HB- 1766 GLN HE2- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "31," "32," igr2= "39," "40," &end # # 1792 SER HA 1797 GLN HE2+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "440," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "515," "516," &end # # 1797 GLN HA 1797 GLN HE2+ 4.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "505," "-1," r1= "1.30," r2= "1.80," r3= "4.73," r4= "5.23," igr2= "515," "516," &end # # 1797 GLN HE2+ 1801 ARG+ QD 5.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.87," r4= "6.37," igr1= "515," "516," igr2= "591," "592," &end # # 1797 GLN HG- 1797 GLN HE2+ 3.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.50," r4= "4.00," igr1= "510," "511," igr2= "515," "516," &end # # 1797 GLN QE2 1801 ARG+ QG 6.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.79," r4= "7.29," igr1= "515," "516," igr2= "588," "589," &end # # 1785 GLN QB 1785 GLN HE2- 4.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.42," r4= "4.92," igr1= "343," "344," igr2= "351," "352," &end # # 1797 GLN HG- 1797 GLN HE2- 3.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.17," r4= "3.67," igr1= "510," "511," igr2= "515," "516," &end # # 1797 GLN HE2- 1801 ARG+ QD 5.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.83," r4= "6.33," igr1= "515," "516," igr2= "591," "592," &end # # 1797 GLN HA 1797 GLN HE2- 4.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "505," "-1," r1= "1.30," r2= "1.80," r3= "4.14," r4= "4.64," igr2= "515," "516," &end # # 1775 ARG+ HA 1778 GLN HE2- 4.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "186," "-1," r1= "1.30," r2= "1.80," r3= "4.83," r4= "5.33," igr2= "250," "251," &end # # 1792 SER HA 1797 GLN HE2- 5.48 (# ) &rst ixpk= "0," nxpk= "0," iat= "440," "-1," r1= "1.30," r2= "1.80," r3= "5.48," r4= "5.98," igr2= "515," "516," &end # # 1853 GLN HA 1853 GLN QE2 5.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "1421," "-1," r1= "1.30," r2= "1.80," r3= "5.66," r4= "6.16," igr2= "1431," "1432," &end # # 1785 GLN QB 1785 GLN HE2+ 4.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.42," r4= "4.92," igr1= "343," "344," igr2= "351," "352," &end # # 1806 THR HB 1807 LYS+ H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "675," "685," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1807 LYS+ H 1807 LYS+ HB+ 3.1 (# ) &rst ixpk= "0," nxpk= "0," iat= "685," "-1," r1= "1.30," r2= "1.80," r3= "3.10," r4= "3.60," igr2= "689," "690," &end # # 1806 THR QG2 1807 LYS+ H 4.28 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "685," r1= "1.30," r2= "1.80," r3= "4.28," r4= "4.78," igr1= "677," "678," "679," &end # # 3049 ASP- HA 3050 ILE H 4.02 (# ) &rst ixpk= "0," nxpk= "0," iat= "2237," "2247," r1= "1.30," r2= "1.80," r3= "4.02," r4= "4.52," &end # # 3050 ILE H 3050 ILE HB 4.15 (# ) &rst ixpk= "0," nxpk= "0," iat= "2247," "2251," r1= "1.30," r2= "1.80," r3= "4.15," r4= "4.65," &end # # 3050 ILE H 3050 ILE QG2 5.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "2247," "-1," r1= "1.30," r2= "1.80," r3= "5.18," r4= "5.68," igr2= "2253," "2254," "2255," &end # # 1795 SER H 1796 CYSZ H 4.89 (# ) &rst ixpk= "0," nxpk= "0," iat= "482," "493," r1= "1.30," r2= "1.80," r3= "4.89," r4= "5.39," &end # # 1788 ASN HB- 1789 ALA H 5.21 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "404," r1= "1.30," r2= "1.80," r3= "5.21," r4= "5.71," igr1= "394," "395," &end # # 1788 ASN HA 1789 ALA H 3.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "392," "404," r1= "1.30," r2= "1.80," r3= "3.30," r4= "3.80," &end # # 1788 ASN HB+ 1789 ALA H 4.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "404," r1= "1.30," r2= "1.80," r3= "4.73," r4= "5.23," igr1= "394," "395," &end # # 1789 ALA H 1789 ALA QB 4.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "404," "-1," r1= "1.30," r2= "1.80," r3= "4.30," r4= "4.80," igr2= "408," "409," "410," &end # # 1767 GLU- H 1769 ARG+ H 4.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "44," "70," r1= "1.30," r2= "1.80," r3= "4.55," r4= "5.05," &end # # 3044 MET H 3044 MET HB- 3.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "2162," "-1," r1= "1.30," r2= "1.80," r3= "3.99," r4= "4.49," igr2= "2166," "2167," &end # # 3044 MET H 3044 MET QE 5.04 (# ) &rst ixpk= "0," nxpk= "0," iat= "2162," "-1," r1= "1.30," r2= "1.80," r3= "5.04," r4= "5.54," igr2= "2173," "2174," "2175," &end # # 3032 LEU HB- 3033 SER H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2006," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "1991," "1992," &end # # 3043 LEU HB+ 3044 MET H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2162," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "2147," "2148," &end # # 3043 LEU QQD 3044 MET H 6.28 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2162," r1= "1.30," r2= "1.80," r3= "6.28," r4= "6.78," igr1= "2152," "2153," "2154," "2156," "2157," "2158," &end # # 1772 SER H 1773 ILE H 3.48 (# ) &rst ixpk= "0," nxpk= "0," iat= "137," "148," r1= "1.30," r2= "1.80," r3= "3.48," r4= "3.98," &end # # 1773 ILE H 1774 GLN H 3.78 (# ) &rst ixpk= "0," nxpk= "0," iat= "148," "167," r1= "1.30," r2= "1.80," r3= "3.78," r4= "4.28," &end # # 1771 LEU H 1771 LEU QQD 4.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "118," "-1," r1= "1.30," r2= "1.80," r3= "4.61," r4= "5.11," igr2= "127," "128," "129," "131," "132," "133," &end # # 1771 LEU H 1771 LEU HB- 3.94 (# ) &rst ixpk= "0," nxpk= "0," iat= "118," "-1," r1= "1.30," r2= "1.80," r3= "3.94," r4= "4.44," igr2= "122," "123," &end # # 1771 LEU H 1771 LEU HB+ 3.94 (# ) &rst ixpk= "0," nxpk= "0," iat= "118," "-1," r1= "1.30," r2= "1.80," r3= "3.94," r4= "4.44," igr2= "122," "123," &end # # 1770 ARG+ QB 1771 LEU H 4.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "118," r1= "1.30," r2= "1.80," r3= "4.74," r4= "5.24," igr1= "98," "99," &end # # 3051 GLU- H 3051 GLU- QG 5.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "2266," "-1," r1= "1.30," r2= "1.80," r3= "5.52," r4= "6.02," igr2= "2273," "2274," &end # # 1846 ASN QB 1848 LYS+ H 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1314," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1285," "1286," &end # # 1848 LYS+ H 1849 HIS QB 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "1314," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "1340," "1341," &end # # 1801 ARG+ QB 1802 VAL H 5.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "605," r1= "1.30," r2= "1.80," r3= "5.98," r4= "6.48," igr1= "585," "586," &end # # 1783 ALA H 1796 CYSZ HB- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "318," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "498," "497," &end # # 1783 ALA H 1799 MET QG 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "318," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "549," "550," &end # # 3028 GLU- H 3028 GLU- QG 5.95 (# ) &rst ixpk= "0," nxpk= "0," iat= "1928," "-1," r1= "1.30," r2= "1.80," r3= "5.95," r4= "6.45," igr2= "1935," "1936," &end # # 3028 GLU- H 3029 ASN H 5.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "1928," "1943," r1= "1.30," r2= "1.80," r3= "5.43," r4= "5.93," &end # # 1805 HIS HD2 1820 CYSZ H 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "667," "874," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 3010 VAL HA 3011 GLU- H 3.63 (# ) &rst ixpk= "0," nxpk= "0," iat= "1635," "1649," r1= "1.30," r2= "1.80," r3= "3.63," r4= "4.13," &end # # 3011 GLU- H 3011 GLU- QG 4.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "1649," "-1," r1= "1.30," r2= "1.80," r3= "4.74," r4= "5.24," igr2= "1656," "1657," &end # # 3011 GLU- H 3011 GLU- HB+ 4.09 (# ) &rst ixpk= "0," nxpk= "0," iat= "1649," "-1," r1= "1.30," r2= "1.80," r3= "4.09," r4= "4.59," igr2= "1653," "1654," &end # # 3011 GLU- H 3011 GLU- HB- 4.09 (# ) &rst ixpk= "0," nxpk= "0," iat= "1649," "-1," r1= "1.30," r2= "1.80," r3= "4.09," r4= "4.59," igr2= "1653," "1654," &end # # 3010 VAL QQG 3011 GLU- H 5.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1649," r1= "1.30," r2= "1.80," r3= "5.42," r4= "5.92," igr1= "1639," "1640," "1641," "1643," "1644," "1645," &end # # 3023 TRP HA 3024 LYS+ H 4.62 (# ) &rst ixpk= "0," nxpk= "0," iat= "1832," "1854," r1= "1.30," r2= "1.80," r3= "4.62," r4= "5.12," &end # # 3016 GLN QB 3017 GLU- H 5.67 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1739," r1= "1.30," r2= "1.80," r3= "5.67," r4= "6.17," igr1= "1726," "1727," &end # # 3017 GLU- H 3017 GLU- QG 6.06 (# ) &rst ixpk= "0," nxpk= "0," iat= "1739," "-1," r1= "1.30," r2= "1.80," r3= "6.06," r4= "6.56," igr2= "1746," "1747," &end # # 3017 GLU- H 3018 THR H 4.45 (# ) &rst ixpk= "0," nxpk= "0," iat= "1739," "1754," r1= "1.30," r2= "1.80," r3= "4.45," r4= "4.95," &end # # 3019 PHE H 3019 PHE QD 5.08 (# ) &rst ixpk= "0," nxpk= "0," iat= "1768," "-1," r1= "1.30," r2= "1.80," r3= "5.08," r4= "5.58," igr2= "1776," "1784," &end # # 1826 LEU H 1827 CYS H 3.8 (# ) &rst ixpk= "0," nxpk= "0," iat= "971," "990," r1= "1.30," r2= "1.80," r3= "3.80," r4= "4.30," &end # # 1782 HIS HD2 1793 LEU QQD 5.25 (# ) &rst ixpk= "0," nxpk= "0," iat= "314," "-1," r1= "1.30," r2= "1.80," r3= "5.25," r4= "5.75," igr2= "458," "459," "460," "462," "463," "464," &end # # 1793 LEU HA 1793 LEU QQD 4.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "451," "-1," r1= "1.30," r2= "1.80," r3= "4.55," r4= "5.05," igr2= "458," "459," "460," "462," "463," "464," &end # # 1793 LEU QQD 1794 PRO HD- 4.05 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.05," r4= "4.55," igr1= "458," "459," "460," "462," "463," "464," igr2= "469," "470," &end # # 1793 LEU QQD 1796 CYSZ HB+ 4.37 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.37," r4= "4.87," igr1= "458," "459," "460," "462," "463," "464," igr2= "498," "497," &end # # 1791 CYS- QB 1793 LEU QQD 7.29 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.29," r4= "7.79," igr1= "433," "432," igr2= "458," "459," "460," "462," "463," "464," &end # # 1793 LEU QQD 1796 CYSZ HB- 4.59 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.59," r4= "5.09," igr1= "458," "459," "460," "462," "463," "464," igr2= "498," "497," &end # # 1786 CYS- QB 1793 LEU QQD 7.57 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.57," r4= "8.07," igr1= "361," "360," igr2= "458," "459," "460," "462," "463," "464," &end # # 1793 LEU HB+ 1793 LEU QQD 3.29 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.29," r4= "3.79," igr1= "453," "454," igr2= "458," "459," "460," "462," "463," "464," &end # # 1782 HIS HE1 1793 LEU QQD 6.04 (# ) &rst ixpk= "0," nxpk= "0," iat= "311," "-1," r1= "1.30," r2= "1.80," r3= "6.04," r4= "6.54," igr2= "458," "459," "460," "462," "463," "464," &end # # 1782 HIS HD2 1793 LEU QQD 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "314," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "458," "459," "460," "462," "463," "464," &end # # 1793 LEU HA 1793 LEU QQD 3.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "451," "-1," r1= "1.30," r2= "1.80," r3= "3.51," r4= "4.01," igr2= "458," "459," "460," "462," "463," "464," &end # # 1793 LEU QQD 1794 PRO HD+ 4.05 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.05," r4= "4.55," igr1= "458," "459," "460," "462," "463," "464," igr2= "469," "470," &end # # 1793 LEU QQD 1794 PRO HD- 4.08 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.08," r4= "4.58," igr1= "458," "459," "460," "462," "463," "464," igr2= "469," "470," &end # # 1793 LEU QQD 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= "458," "459," "460," "462," "463," "464," igr2= "498," "497," &end # # 1793 LEU QQD 1796 CYSZ HB- 5.22 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.22," r4= "5.72," igr1= "458," "459," "460," "462," "463," "464," igr2= "498," "497," &end # # 1793 LEU HB+ 1793 LEU QQD 3.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.70," r4= "4.20," igr1= "453," "454," igr2= "458," "459," "460," "462," "463," "464," &end # # 1793 LEU HB- 1793 LEU QQD 3.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.98," r4= "4.48," igr1= "453," "454," igr2= "458," "459," "460," "462," "463," "464," &end # # 1793 LEU HG 1796 CYSZ HB- 4.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "456," "-1," r1= "1.30," r2= "1.80," r3= "4.79," r4= "5.29," igr2= "498," "497," &end # # 1793 LEU HG 1794 PRO HD- 5 (# ) &rst ixpk= "0," nxpk= "0," iat= "456," "-1," r1= "1.30," r2= "1.80," r3= "5.00," r4= "5.50," igr2= "469," "470," &end # # 1782 HIS HD2 1793 LEU HB+ 4.9 (# ) &rst ixpk= "0," nxpk= "0," iat= "314," "-1," r1= "1.30," r2= "1.80," r3= "4.90," r4= "5.40," igr2= "453," "454," &end # # 1793 LEU HB+ 1796 CYSZ HB- 3.47 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.47," r4= "3.97," igr1= "453," "454," igr2= "498," "497," &end # # 1793 LEU HB- 1793 LEU QQD 3.49 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.49," r4= "3.99," igr1= "453," "454," igr2= "458," "459," "460," "462," "463," "464," &end # # 1793 LEU HB- 1796 CYSZ HB- 3.78 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.78," r4= "4.28," igr1= "453," "454," igr2= "498," "497," &end # # 1793 LEU HB- 1796 CYSZ HB+ 3.77 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.77," r4= "4.27," igr1= "453," "454," igr2= "498," "497," &end # # 1793 LEU HB- 1794 PRO HD- 3.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.86," r4= "4.36," igr1= "453," "454," igr2= "469," "470," &end # # 1793 LEU HA 1794 PRO HD+ 3.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "451," "-1," r1= "1.30," r2= "1.80," r3= "3.14," r4= "3.64," igr2= "469," "470," &end # # 1793 LEU HA 1796 CYSZ HB- 4.78 (# ) &rst ixpk= "0," nxpk= "0," iat= "451," "-1," r1= "1.30," r2= "1.80," r3= "4.78," r4= "5.28," igr2= "498," "497," &end # # 1793 LEU HA 1793 LEU HG 3.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "451," "456," r1= "1.30," r2= "1.80," r3= "3.55," r4= "4.05," &end # # 1777 ILE QD1 1829 TYR QD 4.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.52," r4= "5.02," igr1= "232," "233," "234," igr2= "1020," "1029," &end # # 1774 GLN HA 1777 ILE QD1 4.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "169," "-1," r1= "1.30," r2= "1.80," r3= "4.07," r4= "4.57," igr2= "232," "233," "234," &end # # 1777 ILE HA 1777 ILE QD1 4.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "221," "-1," r1= "1.30," r2= "1.80," r3= "4.79," r4= "5.29," igr2= "232," "233," "234," &end # # 1777 ILE QD1 1830 HIS HB- 4.1 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.10," r4= "4.60," igr1= "232," "233," "234," igr2= "1037," "1038," &end # # 1774 GLN QG 1777 ILE QD1 6.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.52," r4= "7.02," igr1= "174," "175," igr2= "232," "233," "234," &end # # 1777 ILE HB 1777 ILE QD1 3.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "223," "-1," r1= "1.30," r2= "1.80," r3= "3.93," r4= "4.43," igr2= "232," "233," "234," &end # # 1773 ILE QG2 1777 ILE QD1 4.75 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.75," r4= "5.25," igr1= "154," "155," "156," igr2= "232," "233," "234," &end # # 1843 PHE QD 1847 ILE QD1 6.75 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.75," r4= "7.25," igr1= "1240," "1248," igr2= "1308," "1309," "1310," &end # # 1847 ILE QD1 3023 TRP HZ3 4.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1847," r1= "1.30," r2= "1.80," r3= "4.97," r4= "5.47," igr1= "1308," "1309," "1310," &end # # 1828 CYS HA 1847 ILE QD1 4.58 (# ) &rst ixpk= "0," nxpk= "0," iat= "1003," "-1," r1= "1.30," r2= "1.80," r3= "4.58," r4= "5.08," igr2= "1308," "1309," "1310," &end # # 1827 CYS HB+ 1847 ILE QD1 4.67 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.67," r4= "5.17," igr1= "994," "995," igr2= "1308," "1309," "1310," &end # # 1827 CYS HB- 1847 ILE QD1 4.67 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.67," r4= "5.17," igr1= "994," "995," igr2= "1308," "1309," "1310," &end # # 1828 CYS QB 1847 ILE QD1 5.8 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.80," r4= "6.30," igr1= "1005," "1006," igr2= "1308," "1309," "1310," &end # # 1847 ILE HB 1847 ILE QD1 3.65 (# ) &rst ixpk= "0," nxpk= "0," iat= "1299," "-1," r1= "1.30," r2= "1.80," r3= "3.65," r4= "4.15," igr2= "1308," "1309," "1310," &end # # 1831 ALA QB 1847 ILE QD1 5.02 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.02," r4= "5.52," igr1= "1054," "1055," "1056," igr2= "1308," "1309," "1310," &end # # 1782 HIS HD2 1783 ALA QB 4.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "314," "-1," r1= "1.30," r2= "1.80," r3= "4.46," r4= "4.96," igr2= "322," "323," "324," &end # # 1783 ALA QB 1799 MET HA 5.44 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "544," r1= "1.30," r2= "1.80," r3= "5.44," r4= "5.94," igr1= "322," "323," "324," &end # # 1783 ALA QB 1800 LYS+ HA 4.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "561," r1= "1.30," r2= "1.80," r3= "4.07," r4= "4.57," igr1= "322," "323," "324," &end # # 1783 ALA QB 1800 LYS+ HE+ 5.67 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.67," r4= "6.17," igr1= "322," "323," "324," igr2= "572," "573," &end # # 1783 ALA QB 1800 LYS+ HE- 5.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.43," r4= "5.93," igr1= "322," "323," "324," igr2= "572," "573," &end # # 1783 ALA QB 1799 MET HG+ 4.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.50," r4= "5.00," igr1= "322," "323," "324," igr2= "549," "550," &end # # 1783 ALA QB 1799 MET HB+ 3.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.86," r4= "4.36," igr1= "322," "323," "324," igr2= "546," "547," &end # # 1783 ALA QB 1800 LYS+ HG+ 3.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.83," r4= "4.33," igr1= "322," "323," "324," igr2= "566," "567," &end # # 1780 LEU QQD 1783 ALA QB 6.24 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.24," r4= "6.74," igr1= "275," "276," "277," "279," "280," "281," igr2= "322," "323," "324," &end # # 1831 ALA QB 1851 LEU QQD 5.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.41," r4= "5.91," igr1= "1054," "1055," "1056," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1831 ALA QB 1847 ILE QG2 4.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.01," r4= "4.51," igr1= "1054," "1055," "1056," igr2= "1301," "1302," "1303," &end # # 1831 ALA QB 1847 ILE HB 3.67 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1299," r1= "1.30," r2= "1.80," r3= "3.67," r4= "4.17," igr1= "1054," "1055," "1056," &end # # 1831 ALA QB 1834 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= "1054," "1055," "1056," igr2= "1105," "1104," &end # # 1831 ALA QB 1844 CYSZ QB 5.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.53," r4= "6.03," igr1= "1054," "1055," "1056," igr2= "1257," "1256," &end # # 1831 ALA QB 1848 LYS+ HE- 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= "1327," "1328," &end # # 1831 ALA QB 1848 LYS+ HE+ 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= "1327," "1328," &end # # 1831 ALA QB 1832 LYS+ HA 5.67 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1062," r1= "1.30," r2= "1.80," r3= "5.67," r4= "6.17," igr1= "1054," "1055," "1056," &end # # 1831 ALA QB 1844 CYSZ HA 4.22 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1254," r1= "1.30," r2= "1.80," r3= "4.22," r4= "4.72," igr1= "1054," "1055," "1056," &end # # 1828 CYS HA 1831 ALA QB 4.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1003," "-1," r1= "1.30," r2= "1.80," r3= "4.50," r4= "5.00," igr2= "1054," "1055," "1056," &end # # 1830 HIS HD2 1831 ALA QB 4.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "1046," "-1," r1= "1.30," r2= "1.80," r3= "4.41," r4= "4.91," igr2= "1054," "1055," "1056," &end # # 3039 ALA QB 3042 ASP- QB 6.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.12," r4= "6.62," igr1= "2096," "2097," "2098," igr2= "2135," "2136," &end # # 3039 ALA QB 3040 MET QE 7.59 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.59," r4= "8.09," igr1= "2096," "2097," "2098," igr2= "2113," "2114," "2115," &end # # 3035 LEU QQD 3039 ALA QB 8.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "8.18," r4= "8.68," igr1= "2040," "2041," "2042," "2044," "2045," "2046," igr2= "2096," "2097," "2098," &end # # 1788 ASN HA 1789 ALA QB 5.28 (# ) &rst ixpk= "0," nxpk= "0," iat= "392," "-1," r1= "1.30," r2= "1.80," r3= "5.28," r4= "5.78," igr2= "408," "409," "410," &end # # 1789 ALA QB 1790 ASN HA 5.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "416," r1= "1.30," r2= "1.80," r3= "5.66," r4= "6.16," igr1= "408," "409," "410," &end # # 1825 ALA QB 3053 TRP HE3 6.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2317," r1= "1.30," r2= "1.80," r3= "6.12," r4= "6.62," igr1= "965," "966," "967," &end # # 1825 ALA QB 3053 TRP HZ3 5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2315," r1= "1.30," r2= "1.80," r3= "5.00," r4= "5.50," igr1= "965," "966," "967," &end # # 1825 ALA QB 3053 TRP HH2 5.24 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2313," r1= "1.30," r2= "1.80," r3= "5.24," r4= "5.74," igr1= "965," "966," "967," &end # # 1825 ALA QB 3045 LEU HA 6.36 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2181," r1= "1.30," r2= "1.80," r3= "6.36," r4= "6.86," igr1= "965," "966," "967," &end # # 1822 GLN HA 1825 ALA QB 4.06 (# ) &rst ixpk= "0," nxpk= "0," iat= "908," "-1," r1= "1.30," r2= "1.80," r3= "4.06," r4= "4.56," igr2= "965," "966," "967," &end # # 1825 ALA QB 1828 CYS QB 5.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.85," r4= "6.35," igr1= "965," "966," "967," igr2= "1005," "1006," &end # # 1821 LYS+ QE 1825 ALA QB 8.09 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "8.09," r4= "8.59," igr1= "897," "898," igr2= "965," "966," "967," &end # # 1825 ALA QB 3044 MET QE 4.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.99," r4= "5.49," igr1= "965," "966," "967," igr2= "2173," "2174," "2175," &end # # 1825 ALA QB 3026 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= "965," "966," "967," igr2= "1899," "1900," &end # # 1825 ALA QB 3026 LEU QQD 6.35 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.35," r4= "6.85," igr1= "965," "966," "967," igr2= "1904," "1905," "1906," "1908," "1909," "1910," &end # # 1782 HIS HD2 1783 ALA HA 3.59 (# ) &rst ixpk= "0," nxpk= "0," iat= "314," "320," r1= "1.30," r2= "1.80," r3= "3.59," r4= "4.09," &end # # 1783 ALA HA 1786 CYS- HB- 3.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "320," "-1," r1= "1.30," r2= "1.80," r3= "3.73," r4= "4.23," igr2= "361," "360," &end # # 1825 ALA HA 1828 CYS QB 3.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "963," "-1," r1= "1.30," r2= "1.80," r3= "3.79," r4= "4.29," igr2= "1005," "1006," &end # # 1825 ALA HA 3026 LEU QQD 5.24 (# ) &rst ixpk= "0," nxpk= "0," iat= "963," "-1," r1= "1.30," r2= "1.80," r3= "5.24," r4= "5.74," igr2= "1904," "1905," "1906," "1908," "1909," "1910," &end # # 1830 HIS HD2 1831 ALA HA 3.75 (# ) &rst ixpk= "0," nxpk= "0," iat= "1046," "1052," r1= "1.30," r2= "1.80," r3= "3.75," r4= "4.25," &end # # 1831 ALA HA 1848 LYS+ HE- 4.11 (# ) &rst ixpk= "0," nxpk= "0," iat= "1052," "-1," r1= "1.30," r2= "1.80," r3= "4.11," r4= "4.61," igr2= "1327," "1328," &end # # 1831 ALA HA 1834 CYS- HB- 3.58 (# ) &rst ixpk= "0," nxpk= "0," iat= "1052," "-1," r1= "1.30," r2= "1.80," r3= "3.58," r4= "4.08," igr2= "1105," "1104," &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 # # 3039 ALA HA 3040 MET QE 5.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "2094," "-1," r1= "1.30," r2= "1.80," r3= "5.88," r4= "6.38," igr2= "2113," "2114," "2115," &end # # 1837 ASN QB 1845 LEU QQD 8.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "8.32," r4= "8.82," igr1= "1146," "1147," igr2= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1811 ARG+ HA 1814 ASN HB+ 4.75 (# ) &rst ixpk= "0," nxpk= "0," iat= "748," "-1," r1= "1.30," r2= "1.80," r3= "4.75," r4= "5.25," igr2= "810," "811," &end # # 1790 ASN HB- 1791 CYS- HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "430," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "418," "419," &end # # 1789 ALA QB 1790 ASN HB- 6.27 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.27," r4= "6.77," igr1= "408," "409," "410," igr2= "418," "419," &end # # 1789 ALA QB 1790 ASN HB+ 6.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.18," r4= "6.68," igr1= "408," "409," "410," igr2= "418," "419," &end # # 1790 ASN HA 1790 ASN HB+ 2.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "416," "-1," r1= "1.30," r2= "1.80," r3= "2.83," r4= "3.33," igr2= "418," "419," &end # # 1790 ASN HB+ 1791 CYS- HA 5.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "430," r1= "1.30," r2= "1.80," r3= "5.38," r4= "5.88," igr1= "418," "419," &end # # 1788 ASN HB+ 1791 CYS- HA 4.22 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "430," r1= "1.30," r2= "1.80," r3= "4.22," r4= "4.72," igr1= "394," "395," &end # # 3030 ASN HB- 3031 VAL QQG 5.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.38," r4= "5.88," igr1= "1961," "1962," igr2= "1977," "1978," "1979," "1981," "1982," "1983," &end # # 3030 ASN HB+ 3031 VAL QQG 5.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.38," r4= "5.88," igr1= "1961," "1962," igr2= "1977," "1978," "1979," "1981," "1982," "1983," &end # # 1814 ASN HA 1814 ASN HB+ 3.03 (# ) &rst ixpk= "0," nxpk= "0," iat= "808," "-1," r1= "1.30," r2= "1.80," r3= "3.03," r4= "3.53," igr2= "810," "811," &end # # 3029 ASN HA 3029 ASN HB+ 3.03 (# ) &rst ixpk= "0," nxpk= "0," iat= "1945," "-1," r1= "1.30," r2= "1.80," r3= "3.03," r4= "3.53," igr2= "1947," "1948," &end # # 3029 ASN QB 3031 VAL QQG 8.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "8.32," r4= "8.82," igr1= "1947," "1948," igr2= "1977," "1978," "1979," "1981," "1982," "1983," &end # # 1788 ASN HA 1789 ALA HA 4.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "392," "406," r1= "1.30," r2= "1.80," r3= "4.84," r4= "5.34," &end # # 1789 ALA HA 1790 ASN HA 5.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "406," "416," r1= "1.30," r2= "1.80," r3= "5.23," r4= "5.73," &end # # 1787 ARG+ HB+ 1788 ASN HA 5.11 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "392," r1= "1.30," r2= "1.80," r3= "5.11," r4= "5.61," igr1= "370," "371," &end # # 1787 ARG+ HB- 1788 ASN HA 5.09 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "392," r1= "1.30," r2= "1.80," r3= "5.09," r4= "5.59," igr1= "370," "371," &end # # 1813 THR HA 1814 ASN HA 5.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "794," "808," r1= "1.30," r2= "1.80," r3= "5.46," r4= "5.96," &end # # 1837 ASN HA 1837 ASN QB 3.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "1144," "-1," r1= "1.30," r2= "1.80," r3= "3.19," r4= "3.69," igr2= "1146," "1147," &end # # 1837 ASN HA 1845 LEU QQD 6.03 (# ) &rst ixpk= "0," nxpk= "0," iat= "1144," "-1," r1= "1.30," r2= "1.80," r3= "6.03," r4= "6.53," igr2= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 3030 ASN HA 3031 VAL QG1 6.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "1959," "-1," r1= "1.30," r2= "1.80," r3= "6.23," r4= "6.73," igr2= "1977," "1978," "1979," &end # # 1782 HIS HD2 1796 CYSZ HB+ 3.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "314," "-1," r1= "1.30," r2= "1.80," r3= "3.98," r4= "4.48," igr2= "498," "497," &end # # 1793 LEU HB+ 1796 CYSZ HB+ 3.11 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.11," r4= "3.61," igr1= "453," "454," igr2= "498," "497," &end # # 1782 HIS HD2 1796 CYSZ HB- 3.49 (# ) &rst ixpk= "0," nxpk= "0," iat= "314," "-1," r1= "1.30," r2= "1.80," r3= "3.49," r4= "3.99," igr2= "498," "497," &end # # 1782 HIS HD2 1796 CYSZ HA 3.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "314," "495," r1= "1.30," r2= "1.80," r3= "3.55," r4= "4.05," &end # # 1783 ALA QB 1796 CYSZ HA 3.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "495," r1= "1.30," r2= "1.80," r3= "3.55," r4= "4.05," igr1= "322," "323," "324," &end # # 1793 LEU QQD 1796 CYSZ HA 5.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "495," r1= "1.30," r2= "1.80," r3= "5.92," r4= "6.42," igr1= "458," "459," "460," "462," "463," "464," &end # # 1793 LEU HB- 1796 CYSZ HA 4.8 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "495," r1= "1.30," r2= "1.80," r3= "4.80," r4= "5.30," igr1= "453," "454," &end # # 1820 CYSZ HB+ 3025 LEU QQD 5.45 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.45," r4= "5.95," igr1= "879," "878," igr2= "1885," "1886," "1887," "1889," "1890," "1891," &end # # 1820 CYSZ HA 1823 LEU HB+ 4.77 (# ) &rst ixpk= "0," nxpk= "0," iat= "876," "-1," r1= "1.30," r2= "1.80," r3= "4.77," r4= "5.27," igr2= "927," "928," &end # # 1806 THR QG2 1820 CYSZ HA 5.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "876," r1= "1.30," r2= "1.80," r3= "5.16," r4= "5.66," igr1= "677," "678," "679," &end # # 1820 CYSZ HA 1823 LEU HB- 4.82 (# ) &rst ixpk= "0," nxpk= "0," iat= "876," "-1," r1= "1.30," r2= "1.80," r3= "4.82," r4= "5.32," igr2= "927," "928," &end # # 1819 VAL QG1 1820 CYSZ HA 4.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "876," r1= "1.30," r2= "1.80," r3= "4.61," r4= "5.11," igr1= "864," "865," "866," &end # # 1820 CYSZ HA 1823 LEU QQD 4.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "876," "-1," r1= "1.30," r2= "1.80," r3= "4.92," r4= "5.42," igr2= "932," "933," "934," "936," "937," "938," &end # # 1776 CYS HB- 1826 LEU QQD 5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.00," r4= "5.50," igr1= "212," "213," igr2= "980," "981," "982," "984," "985," "986," &end # # 1776 CYS HB- 1826 LEU HG 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "978," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "212," "213," &end # # 1776 CYS HB- 3050 ILE QD1 6.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.14," r4= "6.64," igr1= "212," "213," igr2= "2260," "2261," "2262," &end # # 1773 ILE HA 1776 CYS HB+ 3.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "150," "-1," r1= "1.30," r2= "1.80," r3= "3.97," r4= "4.47," igr2= "212," "213," &end # # 1776 CYS HA 1799 MET QE 5.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "210," "-1," r1= "1.30," r2= "1.80," r3= "5.19," r4= "5.69," igr2= "553," "554," "555," &end # # 1776 CYS HA 1826 LEU QQD 5.24 (# ) &rst ixpk= "0," nxpk= "0," iat= "210," "-1," r1= "1.30," r2= "1.80," r3= "5.24," r4= "5.74," igr2= "980," "981," "982," "984," "985," "986," &end # # 1784 CYS HB- 1840 PRO QB 5.57 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.57," r4= "6.07," igr1= "332," "333," igr2= "1195," "1196," &end # # 1784 CYS HB- 1803 VAL QG1 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "332," "333," igr2= "627," "628," "629," &end # # 1781 VAL QQG 1784 CYS HB+ 5.28 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.28," r4= "5.78," igr1= "291," "292," "293," "295," "296," "297," igr2= "332," "333," &end # # 1784 CYS HB+ 1840 PRO QB 5.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.51," r4= "6.01," igr1= "332," "333," igr2= "1195," "1196," &end # # 1781 VAL HA 1784 CYS HB+ 3.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "287," "-1," r1= "1.30," r2= "1.80," r3= "3.55," r4= "4.05," igr2= "332," "333," &end # # 1784 CYS HA 1803 VAL QQG 6.82 (# ) &rst ixpk= "0," nxpk= "0," iat= "330," "-1," r1= "1.30," r2= "1.80," r3= "6.82," r4= "7.32," igr2= "627," "628," "629," "631," "632," "633," &end # # 1783 ALA QB 1784 CYS HA 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "330," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "322," "323," "324," &end # # 1817 CYS- HA 1818 PRO QG 5.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "836," "-1," r1= "1.30," r2= "1.80," r3= "5.13," r4= "5.63," igr2= "848," "849," &end # # 1788 ASN HA 1791 CYS- QB 6.05 (# ) &rst ixpk= "0," nxpk= "0," iat= "392," "-1," r1= "1.30," r2= "1.80," r3= "6.05," r4= "6.55," 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 QB 6.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.16," r4= "6.66," igr1= "433," "432," igr2= "453," "454," &end # # 1788 ASN HB- 1791 CYS- QB 4.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.14," r4= "4.64," igr1= "394," "395," igr2= "433," "432," &end # # 1790 ASN HA 1791 CYS- HA 4.81 (# ) &rst ixpk= "0," nxpk= "0," iat= "416," "430," r1= "1.30," r2= "1.80," r3= "4.81," r4= "5.31," &end # # 1788 ASN HB- 1791 CYS- HA 5.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "430," r1= "1.30," r2= "1.80," r3= "5.12," r4= "5.62," igr1= "394," "395," &end # # 1791 CYS- HA 1791 CYS- QB 3.05 (# ) &rst ixpk= "0," nxpk= "0," iat= "430," "-1," r1= "1.30," r2= "1.80," r3= "3.05," r4= "3.55," igr2= "433," "432," &end # # 1782 HIS HE1 1786 CYS- HB+ 5.24 (# ) &rst ixpk= "0," nxpk= "0," iat= "311," "-1," r1= "1.30," r2= "1.80," r3= "5.24," r4= "5.74," igr2= "361," "360," &end # # 1782 HIS HD2 1786 CYS- HB+ 4.63 (# ) &rst ixpk= "0," nxpk= "0," iat= "314," "-1," r1= "1.30," r2= "1.80," r3= "4.63," r4= "5.13," igr2= "361," "360," &end # # 1783 ALA HA 1786 CYS- HB+ 3.47 (# ) &rst ixpk= "0," nxpk= "0," iat= "320," "-1," r1= "1.30," r2= "1.80," r3= "3.47," r4= "3.97," igr2= "361," "360," &end # # 1786 CYS- HB+ 1800 LYS+ HE+ 3.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.42," r4= "3.92," igr1= "361," "360," igr2= "572," "573," &end # # 1786 CYS- HB+ 1800 LYS+ HE- 3.56 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.56," r4= "4.06," igr1= "361," "360," igr2= "572," "573," &end # # 1783 ALA QB 1786 CYS- HB+ 5.39 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.39," r4= "5.89," igr1= "322," "323," "324," igr2= "361," "360," &end # # 1786 CYS- HB- 1800 LYS+ HE- 4.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.70," r4= "5.20," igr1= "361," "360," igr2= "572," "573," &end # # 1786 CYS- HB- 1800 LYS+ HE+ 3.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.93," r4= "4.43," igr1= "361," "360," igr2= "572," "573," &end # # 1786 CYS- HA 1786 CYS- HB- 2.9 (# ) &rst ixpk= "0," nxpk= "0," iat= "358," "-1," r1= "1.30," r2= "1.80," r3= "2.90," r4= "3.40," igr2= "361," "360," &end # # 1805 HIS HD2 1809 CYS- HB- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "667," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "719," "718," &end # # 1805 HIS HD2 1809 CYS- HB+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "667," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "719," "718," &end # # 1806 THR HA 1809 CYS- HB+ 4.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "673," "-1," r1= "1.30," r2= "1.80," r3= "4.41," r4= "4.91," igr2= "719," "718," &end # # 1802 VAL QG1 1805 HIS HB+ 5.36 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.36," r4= "5.86," igr1= "611," "612," "613," igr2= "658," "659," &end # # 1805 HIS HB+ 1819 VAL QG1 5.75 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.75," r4= "6.25," igr1= "658," "659," igr2= "864," "865," "866," &end # # 1805 HIS HB- 1819 VAL QG1 5.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.97," r4= "6.47," igr1= "658," "659," igr2= "864," "865," "866," &end # # 1801 ARG+ QB 1805 HIS QB 5.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.85," r4= "6.35," igr1= "585," "586," igr2= "658," "659," &end # # 1829 TYR QD 1830 HIS HA 3.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1035," r1= "1.30," r2= "1.80," r3= "3.85," r4= "4.35," igr1= "1020," "1029," &end # # 1805 HIS HA 1805 HIS HB- 2.81 (# ) &rst ixpk= "0," nxpk= "0," iat= "656," "-1," r1= "1.30," r2= "1.80," r3= "2.81," r4= "3.31," igr2= "658," "659," &end # # 1830 HIS HA 1830 HIS HB- 3.02 (# ) &rst ixpk= "0," nxpk= "0," iat= "1035," "-1," r1= "1.30," r2= "1.80," r3= "3.02," r4= "3.52," igr2= "1037," "1038," &end # # 1777 ILE QD1 1830 HIS HA 4.26 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1035," r1= "1.30," r2= "1.80," r3= "4.26," r4= "4.76," igr1= "232," "233," "234," &end # # 1805 HIS HB+ 1805 HIS HD2 3.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "667," r1= "1.30," r2= "1.80," r3= "3.42," r4= "3.92," igr1= "658," "659," &end # # 1805 HIS HD2 1806 THR HA 3.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "667," "673," r1= "1.30," r2= "1.80," r3= "3.55," r4= "4.05," &end # # 1805 HIS HD2 1806 THR QG2 6.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "667," "-1," r1= "1.30," r2= "1.80," r3= "6.43," r4= "6.93," igr2= "677," "678," "679," &end # # 1805 HIS HD2 1819 VAL QG1 3.95 (# ) &rst ixpk= "0," nxpk= "0," iat= "667," "-1," r1= "1.30," r2= "1.80," r3= "3.95," r4= "4.45," igr2= "864," "865," "866," &end # # 1805 HIS HE1 1809 CYS- HA 4.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "664," "716," r1= "1.30," r2= "1.80," r3= "4.32," r4= "4.82," &end # # 1805 HIS HE1 1819 VAL HB 4.77 (# ) &rst ixpk= "0," nxpk= "0," iat= "664," "862," r1= "1.30," r2= "1.80," r3= "4.77," r4= "5.27," &end # # 1805 HIS HE1 1819 VAL QG1 6.06 (# ) &rst ixpk= "0," nxpk= "0," iat= "664," "-1," r1= "1.30," r2= "1.80," r3= "6.06," r4= "6.56," igr2= "864," "865," "866," &end # # 1805 HIS HE1 1819 VAL QG2 6.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "664," "-1," r1= "1.30," r2= "1.80," r3= "6.51," r4= "7.01," igr2= "868," "869," "870," &end # # 1779 SER HA 1782 HIS HB- 4.26 (# ) &rst ixpk= "0," nxpk= "0," iat= "257," "-1," r1= "1.30," r2= "1.80," r3= "4.26," r4= "4.76," igr2= "305," "306," &end # # 1782 HIS HA 1782 HIS HD2 4.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "303," "314," r1= "1.30," r2= "1.80," r3= "4.86," r4= "5.36," &end # # 1779 SER HA 1782 HIS HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "257," "303," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1782 HIS HA 1782 HIS HB- 2.77 (# ) &rst ixpk= "0," nxpk= "0," iat= "303," "-1," r1= "1.30," r2= "1.80," r3= "2.77," r4= "3.27," igr2= "305," "306," &end # # 1782 HIS HA 1785 GLN QB 5.25 (# ) &rst ixpk= "0," nxpk= "0," iat= "303," "-1," r1= "1.30," r2= "1.80," r3= "5.25," r4= "5.75," igr2= "343," "344," &end # # 1782 HIS HA 1786 CYS- HB- 5.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "303," "-1," r1= "1.30," r2= "1.80," r3= "5.14," r4= "5.64," igr2= "361," "360," &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 # # 1782 HIS HE1 1786 CYS- HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "311," "358," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1782 HIS HE1 1791 CYS- QB 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "311," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "433," "432," &end # # 1782 HIS HE1 1786 CYS- HB- 4.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "311," "-1," r1= "1.30," r2= "1.80," r3= "4.42," r4= "4.92," igr2= "361," "360," &end # # 1782 HIS HE1 1793 LEU HG 4.94 (# ) &rst ixpk= "0," nxpk= "0," iat= "311," "456," r1= "1.30," r2= "1.80," r3= "4.94," r4= "5.44," &end # # 1782 HIS HE1 1793 LEU QQD 4.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "311," "-1," r1= "1.30," r2= "1.80," r3= "4.17," r4= "4.67," igr2= "458," "459," "460," "462," "463," "464," &end # # 1782 HIS HD2 1786 CYS- HB- 4.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "314," "-1," r1= "1.30," r2= "1.80," r3= "4.38," r4= "4.88," igr2= "361," "360," &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 # # 1827 CYS HA 1830 HIS HB+ 3.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "992," "-1," r1= "1.30," r2= "1.80," r3= "3.64," r4= "4.14," igr2= "1037," "1038," &end # # 1777 ILE QD1 1830 HIS HB+ 4.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.64," r4= "5.14," igr1= "232," "233," "234," igr2= "1037," "1038," &end # # 1830 HIS HB+ 1841 VAL QG1 5.44 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.44," r4= "5.94," igr1= "1037," "1038," igr2= "1208," "1209," "1210," &end # # 1830 HIS HB- 1841 VAL QG1 6.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.55," r4= "7.05," igr1= "1037," "1038," igr2= "1208," "1209," "1210," &end # # 1830 HIS HE1 1834 CYS- HA 4.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "1043," "1102," r1= "1.30," r2= "1.80," r3= "4.61," r4= "5.11," &end # # 1830 HIS HE1 1834 CYS- HB+ 4.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "1043," "-1," r1= "1.30," r2= "1.80," r3= "4.87," r4= "5.37," igr2= "1105," "1104," &end # # 1830 HIS HE1 1834 CYS- HB- 4.1 (# ) &rst ixpk= "0," nxpk= "0," iat= "1043," "-1," r1= "1.30," r2= "1.80," r3= "4.10," r4= "4.60," igr2= "1105," "1104," &end # # 1777 ILE QG2 1830 HIS HE1 4.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1043," r1= "1.30," r2= "1.80," r3= "4.84," r4= "5.34," igr1= "225," "226," "227," &end # # 1781 VAL QQG 1830 HIS HE1 6.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1043," r1= "1.30," r2= "1.80," r3= "6.79," r4= "7.29," igr1= "291," "292," "293," "295," "296," "297," &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 # # 1830 HIS HE1 1841 VAL QG2 4.78 (# ) &rst ixpk= "0," nxpk= "0," iat= "1043," "-1," r1= "1.30," r2= "1.80," r3= "4.78," r4= "5.28," igr2= "1212," "1213," "1214," &end # # 1827 CYS HA 1830 HIS HD2 4.03 (# ) &rst ixpk= "0," nxpk= "0," iat= "992," "1046," r1= "1.30," r2= "1.80," r3= "4.03," r4= "4.53," &end # # 1830 HIS HD2 1841 VAL HB 4.21 (# ) &rst ixpk= "0," nxpk= "0," iat= "1046," "1206," r1= "1.30," r2= "1.80," r3= "4.21," r4= "4.71," &end # # 1830 HIS HD2 1841 VAL QG1 4.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "1046," "-1," r1= "1.30," r2= "1.80," r3= "4.98," r4= "5.48," igr2= "1208," "1209," "1210," &end # # 1833 HIS HA 1833 HIS HD2 4.39 (# ) &rst ixpk= "0," nxpk= "0," iat= "1084," "1096," r1= "1.30," r2= "1.80," r3= "4.39," r4= "4.89," &end # # 1829 TYR QE 1833 HIS HE1 5.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1092," r1= "1.30," r2= "1.80," r3= "5.46," r4= "5.96," igr1= "1022," "1027," &end # # 1845 LEU QQD 1849 HIS HE1 5.22 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1346," r1= "1.30," r2= "1.80," r3= "5.22," r4= "5.72," igr1= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1849 HIS HA 1849 HIS HD2 4.25 (# ) &rst ixpk= "0," nxpk= "0," iat= "1338," "1350," r1= "1.30," r2= "1.80," r3= "4.25," r4= "4.75," &end # # 1845 LEU HA 1849 HIS HD2 5.31 (# ) &rst ixpk= "0," nxpk= "0," iat= "1264," "1350," r1= "1.30," r2= "1.80," r3= "5.31," r4= "5.81," &end # # 1845 LEU HG 1849 HIS HD2 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1269," "1350," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1849 HIS QB 1850 LYS+ HA 5.03 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1356," r1= "1.30," r2= "1.80," r3= "5.03," r4= "5.53," igr1= "1340," "1341," &end # # 1849 HIS QB 1852 ARG+ QB 6.24 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.24," r4= "6.74," igr1= "1340," "1341," igr2= "1399," "1400," &end # # 1845 LEU QQD 1849 HIS QB 7.24 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.24," r4= "7.74," igr1= "1271," "1272," "1273," "1275," "1276," "1277," igr2= "1340," "1341," &end # # 1806 THR QG2 1807 LYS+ HA 4.8 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "687," r1= "1.30," r2= "1.80," r3= "4.80," r4= "5.30," igr1= "677," "678," "679," &end # # 1803 VAL HA 1806 THR QG2 4.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "623," "-1," r1= "1.30," r2= "1.80," r3= "4.92," r4= "5.42," igr2= "677," "678," "679," &end # # 1806 THR 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= "677," "678," "679," igr2= "879," "878," &end # # 1806 THR QG2 1823 LEU HB+ 5.56 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.56," r4= "6.06," igr1= "677," "678," "679," igr2= "927," "928," &end # # 1806 THR QG2 3018 THR QG2 7.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.46," r4= "7.96," igr1= "677," "678," "679," igr2= "1760," "1761," "1762," &end # # 1806 THR QG2 1823 LEU QQD 5.09 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.09," r4= "5.59," igr1= "677," "678," "679," igr2= "932," "933," "934," "936," "937," "938," &end # # 1806 THR HA 1809 CYS- HB- 4.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "673," "-1," r1= "1.30," r2= "1.80," r3= "4.41," r4= "4.91," igr2= "719," "718," &end # # 1806 THR HA 1806 THR QG2 4.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "673," "-1," r1= "1.30," r2= "1.80," r3= "4.19," r4= "4.69," igr2= "677," "678," "679," &end # # 1806 THR HA 1823 LEU QQD 6.54 (# ) &rst ixpk= "0," nxpk= "0," iat= "673," "-1," r1= "1.30," r2= "1.80," r3= "6.54," r4= "7.04," igr2= "932," "933," "934," "936," "937," "938," &end # # 1805 HIS HD2 1806 THR HB 4.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "667," "675," r1= "1.30," r2= "1.80," r3= "4.96," r4= "5.46," &end # # 1803 VAL HA 1806 THR HB 3.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "623," "675," r1= "1.30," r2= "1.80," r3= "3.99," r4= "4.49," &end # # 1806 THR HB 1823 LEU HB+ 5.48 (# ) &rst ixpk= "0," nxpk= "0," iat= "675," "-1," r1= "1.30," r2= "1.80," r3= "5.48," r4= "5.98," igr2= "927," "928," &end # # 1806 THR HB 1823 LEU HG 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "675," "930," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1802 VAL QQG 1806 THR HB 5.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "675," r1= "1.30," r2= "1.80," r3= "5.53," r4= "6.03," igr1= "611," "612," "613," "615," "616," "617," &end # # 1806 THR HB 1823 LEU QQD 3.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "675," "-1," r1= "1.30," r2= "1.80," r3= "3.84," r4= "4.34," igr2= "932," "933," "934," "936," "937," "938," &end # # 1813 THR HA 1813 THR QG2 4.31 (# ) &rst ixpk= "0," nxpk= "0," iat= "794," "-1," r1= "1.30," r2= "1.80," r3= "4.31," r4= "4.81," igr2= "798," "799," "800," &end # # 3055 THR HA 3055 THR QG2 4.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "2344," "-1," r1= "1.30," r2= "1.80," r3= "4.60," r4= "5.10," igr2= "2348," "2349," "2350," &end # # 1813 THR QG2 3021 ASP- QB 6.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.70," r4= "7.20," igr1= "798," "799," "800," igr2= "1803," "1804," &end # # 3052 GLN HA 3055 THR QG2 4.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "2283," "-1," r1= "1.30," r2= "1.80," r3= "4.84," r4= "5.34," igr2= "2348," "2349," "2350," &end # # 3052 GLN QG 3055 THR QG2 5.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.93," r4= "6.43," igr1= "2288," "2289," igr2= "2348," "2349," "2350," &end # # 3051 GLU- QB 3055 THR QG2 6.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.51," r4= "7.01," igr1= "2270," "2271," igr2= "2348," "2349," "2350," &end # # 3018 THR HB 3022 LEU QQD 7.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "1758," "-1," r1= "1.30," r2= "1.80," r3= "7.01," r4= "7.51," igr2= "1820," "1821," "1822," "1824," "1825," "1826," &end # # 3018 THR HA 3018 THR QG2 4.22 (# ) &rst ixpk= "0," nxpk= "0," iat= "1756," "-1," r1= "1.30," r2= "1.80," r3= "4.22," r4= "4.72," igr2= "1760," "1761," "1762," &end # # 3018 THR QG2 3022 LEU QQD 7.45 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.45," r4= "7.95," igr1= "1760," "1761," "1762," igr2= "1820," "1821," "1822," "1824," "1825," "1826," &end # # 3018 THR HA 3021 ASP- HB+ 4.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "1756," "-1," r1= "1.30," r2= "1.80," r3= "4.97," r4= "5.47," igr2= "1803," "1804," &end # # 3018 THR HA 3021 ASP- HB- 5.21 (# ) &rst ixpk= "0," nxpk= "0," iat= "1756," "-1," r1= "1.30," r2= "1.80," r3= "5.21," r4= "5.71," igr2= "1803," "1804," &end # # 3018 THR HA 3022 LEU HG 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1756," "1818," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1780 LEU HA 1781 VAL HA 4.81 (# ) &rst ixpk= "0," nxpk= "0," iat= "268," "287," r1= "1.30," r2= "1.80," r3= "4.81," r4= "5.31," &end # # 1781 VAL HA 1841 VAL HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "287," "1204," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1781 VAL HA 1784 CYS HB- 4.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "287," "-1," r1= "1.30," r2= "1.80," r3= "4.43," r4= "4.93," igr2= "332," "333," &end # # 1781 VAL HA 1840 PRO HG- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "287," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "1192," "1193," &end # # 1781 VAL HA 1781 VAL QG2 3.59 (# ) &rst ixpk= "0," nxpk= "0," iat= "287," "-1," r1= "1.30," r2= "1.80," r3= "3.59," r4= "4.09," igr2= "295," "296," "297," &end # # 1781 VAL HB 1840 PRO HG- 4.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "289," "-1," r1= "1.30," r2= "1.80," r3= "4.85," r4= "5.35," igr2= "1192," "1193," &end # # 1781 VAL QQG 1830 HIS HE1 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1043," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "291," "292," "293," "295," "296," "297," &end # # 1781 VAL QG1 1841 VAL QG2 7.4 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.40," r4= "7.90," igr1= "291," "292," "293," igr2= "1212," "1213," "1214," &end # # 1781 VAL QG1 1840 PRO HG- 4.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.70," r4= "5.20," igr1= "291," "292," "293," igr2= "1192," "1193," &end # # 1781 VAL QG1 1840 PRO QB 3.95 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.95," r4= "4.45," igr1= "291," "292," "293," igr2= "1195," "1196," &end # # 1778 GLN HG- 1781 VAL QQG 7.1 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.10," r4= "7.60," igr1= "245," "246," igr2= "291," "292," "293," "295," "296," "297," &end # # 1781 VAL QG1 1785 GLN HG+ 6.08 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.08," r4= "6.58," igr1= "291," "292," "293," igr2= "346," "347," &end # # 1781 VAL QG1 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= "291," "292," "293," igr2= "332," "333," &end # # 1781 VAL HA 1781 VAL QG1 4.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "287," "-1," r1= "1.30," r2= "1.80," r3= "4.42," r4= "4.92," igr2= "291," "292," "293," &end # # 1781 VAL QG1 1840 PRO HA 5.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1198," r1= "1.30," r2= "1.80," r3= "5.66," r4= "6.16," igr1= "291," "292," "293," &end # # 1781 VAL QG1 1782 HIS HA 4.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "303," r1= "1.30," r2= "1.80," r3= "4.42," r4= "4.92," igr1= "291," "292," "293," &end # # 1781 VAL QQG 1830 HIS HD2 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1046," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "291," "292," "293," "295," "296," "297," &end # # 1778 GLN HA 1781 VAL QG2 4.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "240," "-1," r1= "1.30," r2= "1.80," r3= "4.84," r4= "5.34," igr2= "295," "296," "297," &end # # 1781 VAL QG2 1840 PRO HD- 5.48 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.48," r4= "5.98," igr1= "295," "296," "297," igr2= "1189," "1190," &end # # 1781 VAL QG2 1784 CYS HB+ 5.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.55," r4= "6.05," igr1= "295," "296," "297," igr2= "332," "333," &end # # 1781 VAL QG2 1784 CYS HB- 6.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.23," r4= "6.73," igr1= "295," "296," "297," igr2= "332," "333," &end # # 1781 VAL QG2 1840 PRO HG- 4.06 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.06," r4= "4.56," igr1= "295," "296," "297," igr2= "1192," "1193," &end # # 1799 MET HA 1802 VAL HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "544," "607," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1802 VAL HA 1805 HIS HA 5.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "607," "656," r1= "1.30," r2= "1.80," r3= "5.41," r4= "5.91," &end # # 1802 VAL HA 1805 HIS HB+ 3.49 (# ) &rst ixpk= "0," nxpk= "0," iat= "607," "-1," r1= "1.30," r2= "1.80," r3= "3.49," r4= "3.99," igr2= "658," "659," &end # # 1802 VAL HA 1805 HIS HB- 4.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "607," "-1," r1= "1.30," r2= "1.80," r3= "4.01," r4= "4.51," igr2= "658," "659," &end # # 1801 ARG+ QB 1802 VAL HA 5.03 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "607," r1= "1.30," r2= "1.80," r3= "5.03," r4= "5.53," igr1= "585," "586," &end # # 1802 VAL HA 1823 LEU QB 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "607," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "927," "928," &end # # 1802 VAL HA 1802 VAL QG2 3.82 (# ) &rst ixpk= "0," nxpk= "0," iat= "607," "-1," r1= "1.30," r2= "1.80," r3= "3.82," r4= "4.32," igr2= "615," "616," "617," &end # # 1802 VAL HA 1802 VAL QG1 3.67 (# ) &rst ixpk= "0," nxpk= "0," iat= "607," "-1," r1= "1.30," r2= "1.80," r3= "3.67," r4= "4.17," igr2= "611," "612," "613," &end # # 1802 VAL HA 1805 HIS HD2 5.09 (# ) &rst ixpk= "0," nxpk= "0," iat= "607," "667," r1= "1.30," r2= "1.80," r3= "5.09," r4= "5.59," &end # # 1799 MET HA 1802 VAL HB 3.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "544," "609," r1= "1.30," r2= "1.80," r3= "3.50," r4= "4.00," &end # # 1803 VAL HA 1805 HIS HB+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "623," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "658," "659," &end # # 1802 VAL QG1 1803 VAL HA 5.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "623," r1= "1.30," r2= "1.80," r3= "5.86," r4= "6.36," igr1= "611," "612," "613," &end # # 1803 VAL HA 1803 VAL QG2 3.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "623," "-1," r1= "1.30," r2= "1.80," r3= "3.73," r4= "4.23," igr2= "631," "632," "633," &end # # 1803 VAL HA 1823 LEU QQD 3.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "623," "-1," r1= "1.30," r2= "1.80," r3= "3.88," r4= "4.38," igr2= "932," "933," "934," "936," "937," "938," &end # # 1800 LYS+ HA 1803 VAL HB 4.44 (# ) &rst ixpk= "0," nxpk= "0," iat= "561," "625," r1= "1.30," r2= "1.80," r3= "4.44," r4= "4.94," &end # # 1819 VAL HA 3054 PHE QD 5.77 (# ) &rst ixpk= "0," nxpk= "0," iat= "860," "-1," r1= "1.30," r2= "1.80," r3= "5.77," r4= "6.27," igr2= "2330," "2338," &end # # 1819 VAL HA 3054 PHE QE 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "860," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "2332," "2336," &end # # 1818 PRO QG 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= "848," "849," &end # # 1819 VAL HA 1819 VAL QG1 3.75 (# ) &rst ixpk= "0," nxpk= "0," iat= "860," "-1," r1= "1.30," r2= "1.80," r3= "3.75," r4= "4.25," igr2= "864," "865," "866," &end # # 1819 VAL HA 1819 VAL QG2 3.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "860," "-1," r1= "1.30," r2= "1.80," r3= "3.96," r4= "4.46," igr2= "868," "869," "870," &end # # 1805 HIS HD2 1819 VAL HB 4.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "667," "862," r1= "1.30," r2= "1.80," r3= "4.61," r4= "5.11," &end # # 1830 HIS HD2 1841 VAL QG2 6.15 (# ) &rst ixpk= "0," nxpk= "0," iat= "1046," "-1," r1= "1.30," r2= "1.80," r3= "6.15," r4= "6.65," igr2= "1212," "1213," "1214," &end # # 1840 PRO HD- 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= "1189," "1190," igr2= "1212," "1213," "1214," &end # # 1781 VAL HA 1841 VAL QG2 4.54 (# ) &rst ixpk= "0," nxpk= "0," iat= "287," "-1," r1= "1.30," r2= "1.80," r3= "4.54," r4= "5.04," igr2= "1212," "1213," "1214," &end # # 1841 VAL QG2 1844 CYSZ QB 6.24 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.24," r4= "6.74," igr1= "1212," "1213," "1214," igr2= "1257," "1256," &end # # 1781 VAL HB 1841 VAL QG2 6.28 (# ) &rst ixpk= "0," nxpk= "0," iat= "289," "-1," r1= "1.30," r2= "1.80," r3= "6.28," r4= "6.78," igr2= "1212," "1213," "1214," &end # # 1840 PRO QB 1841 VAL QG2 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "1195," "1196," igr2= "1212," "1213," "1214," &end # # 1840 PRO HG- 1841 VAL QG2 5.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.72," r4= "6.22," igr1= "1192," "1193," igr2= "1212," "1213," "1214," &end # # 1781 VAL QG2 1841 VAL QG2 4.27 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.27," r4= "4.77," igr1= "295," "296," "297," igr2= "1212," "1213," "1214," &end # # 1781 VAL QG2 1841 VAL HA 5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1204," r1= "1.30," r2= "1.80," r3= "5.00," r4= "5.50," igr1= "295," "296," "297," &end # # 1841 VAL HA 1841 VAL QG1 4.26 (# ) &rst ixpk= "0," nxpk= "0," iat= "1204," "-1," r1= "1.30," r2= "1.80," r3= "4.26," r4= "4.76," igr2= "1208," "1209," "1210," &end # # 1841 VAL HA 1841 VAL QG2 4.59 (# ) &rst ixpk= "0," nxpk= "0," iat= "1204," "-1," r1= "1.30," r2= "1.80," r3= "4.59," r4= "5.09," igr2= "1212," "1213," "1214," &end # # 1841 VAL QG1 1844 CYSZ QB 6.69 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.69," r4= "7.19," igr1= "1208," "1209," "1210," igr2= "1257," "1256," &end # # 1831 ALA QB 1841 VAL QG1 7.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.93," r4= "8.43," igr1= "1054," "1055," "1056," igr2= "1208," "1209," "1210," &end # # 1841 VAL QG1 1842 PRO HG- 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1208," "1209," "1210," igr2= "1222," "1223," &end # # 1777 ILE HA 1778 GLN HA 5.06 (# ) &rst ixpk= "0," nxpk= "0," iat= "221," "240," r1= "1.30," r2= "1.80," r3= "5.06," r4= "5.56," &end # # 1777 ILE HA 1780 LEU HB+ 3.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "221," "-1," r1= "1.30," r2= "1.80," r3= "3.85," r4= "4.35," igr2= "270," "271," &end # # 1777 ILE HA 1777 ILE HG13 3.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "221," "230," r1= "1.30," r2= "1.80," r3= "3.74," r4= "4.24," &end # # 1777 ILE HA 1780 LEU HB- 3.81 (# ) &rst ixpk= "0," nxpk= "0," iat= "221," "-1," r1= "1.30," r2= "1.80," r3= "3.81," r4= "4.31," igr2= "270," "271," &end # # 1777 ILE HA 1826 LEU QQD 3.69 (# ) &rst ixpk= "0," nxpk= "0," iat= "221," "-1," r1= "1.30," r2= "1.80," r3= "3.69," r4= "4.19," igr2= "980," "981," "982," "984," "985," "986," &end # # 1777 ILE HA 1777 ILE HG12 3.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "221," "229," r1= "1.30," r2= "1.80," r3= "3.74," r4= "4.24," &end # # 1777 ILE QG2 1778 GLN HA 4.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "240," r1= "1.30," r2= "1.80," r3= "4.38," r4= "4.88," igr1= "225," "226," "227," &end # # 1777 ILE HA 1777 ILE QG2 3.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "221," "-1," r1= "1.30," r2= "1.80," r3= "3.92," r4= "4.42," igr2= "225," "226," "227," &end # # 1777 ILE QG2 1830 HIS HB- 4.68 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.68," r4= "5.18," igr1= "225," "226," "227," igr2= "1037," "1038," &end # # 1777 ILE QG2 1778 GLN HG- 5.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.66," r4= "6.16," igr1= "225," "226," "227," igr2= "245," "246," &end # # 1777 ILE QG2 1777 ILE HG13 4.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "230," r1= "1.30," r2= "1.80," r3= "4.50," r4= "5.00," igr1= "225," "226," "227," &end # # 1777 ILE QG2 1841 VAL QG2 5.22 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.22," r4= "5.72," igr1= "225," "226," "227," igr2= "1212," "1213," "1214," &end # # 1777 ILE QG2 1777 ILE HG12 4.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "229," r1= "1.30," r2= "1.80," r3= "4.50," r4= "5.00," igr1= "225," "226," "227," &end # # 1764 SER HA 1765 PRO HD+ 3.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "4," "-1," r1= "1.30," r2= "1.80," r3= "3.32," r4= "3.82," igr2= "14," "15," &end # # 1764 SER HA 1765 PRO QG 5.21 (# ) &rst ixpk= "0," nxpk= "0," iat= "4," "-1," r1= "1.30," r2= "1.80," r3= "5.21," r4= "5.71," igr2= "17," "18," &end # # 1764 SER HA 1764 SER HB+ 2.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "4," "-1," r1= "1.30," r2= "1.80," r3= "2.98," r4= "3.48," igr2= "6," "7," &end # # 1768 SER HA 1768 SER QB 3.15 (# ) &rst ixpk= "0," nxpk= "0," iat= "61," "-1," r1= "1.30," r2= "1.80," r3= "3.15," r4= "3.65," igr2= "63," "64," &end # # 1767 GLU- QG 1768 SER HA 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "61," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "51," "52," &end # # 1768 SER HA 1771 LEU HB+ 4.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "61," "-1," r1= "1.30," r2= "1.80," r3= "4.16," r4= "4.66," igr2= "122," "123," &end # # 1768 SER HA 1771 LEU HB- 4.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "61," "-1," r1= "1.30," r2= "1.80," r3= "4.16," r4= "4.66," igr2= "122," "123," &end # # 1768 SER HA 1771 LEU QQD 4.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "61," "-1," r1= "1.30," r2= "1.80," r3= "4.61," r4= "5.11," igr2= "127," "128," "129," "131," "132," "133," &end # # 1768 SER QB 1771 LEU QQD 6.48 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.48," r4= "6.98," igr1= "63," "64," igr2= "127," "128," "129," "131," "132," "133," &end # # 1792 SER HA 1797 GLN HG+ 4.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "440," "-1," r1= "1.30," r2= "1.80," r3= "4.86," r4= "5.36," igr2= "510," "511," &end # # 3007 ASP- HA 3008 PRO HD+ 2.71 (# ) &rst ixpk= "0," nxpk= "0," iat= "1598," "-1," r1= "1.30," r2= "1.80," r3= "2.71," r4= "3.21," igr2= "1609," "1610," &end # # 3007 ASP- HA 3010 VAL QG1 6.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "1598," "-1," r1= "1.30," r2= "1.80," r3= "6.51," r4= "7.01," igr2= "1639," "1640," "1641," &end # # 3007 ASP- HB- 3010 VAL QG1 4.8 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.80," r4= "5.30," igr1= "1600," "1601," igr2= "1639," "1640," "1641," &end # # 3007 ASP- HB+ 3008 PRO HD- 4.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.55," r4= "5.05," igr1= "1600," "1601," igr2= "1609," "1610," &end # # 3007 ASP- HA 3008 PRO HD- 3.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "1598," "-1," r1= "1.30," r2= "1.80," r3= "3.18," r4= "3.68," igr2= "1609," "1610," &end # # 3007 ASP- HB+ 3008 PRO HD+ 5.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.41," r4= "5.91," igr1= "1600," "1601," igr2= "1609," "1610," &end # # 3007 ASP- HB- 3008 PRO HD- 4.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.55," r4= "5.05," igr1= "1600," "1601," igr2= "1609," "1610," &end # # 3008 PRO HD+ 3010 VAL QG1 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1609," "1610," igr2= "1639," "1640," "1641," &end # # 3007 ASP- HB- 3008 PRO HD+ 5.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.41," r4= "5.91," igr1= "1600," "1601," igr2= "1609," "1610," &end # # 1829 TYR HA 1829 TYR QD 3.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "1014," "-1," r1= "1.30," r2= "1.80," r3= "3.72," r4= "4.22," igr2= "1020," "1029," &end # # 1829 TYR HA 1829 TYR QE 5.58 (# ) &rst ixpk= "0," nxpk= "0," iat= "1014," "-1," r1= "1.30," r2= "1.80," r3= "5.58," r4= "6.08," igr2= "1022," "1027," &end # # 1829 TYR HA 1832 LYS+ HD+ 3.4 (# ) &rst ixpk= "0," nxpk= "0," iat= "1014," "-1," r1= "1.30," r2= "1.80," r3= "3.40," r4= "3.90," igr2= "1070," "1071," &end # # 1829 TYR HA 1832 LYS+ HB- 4.25 (# ) &rst ixpk= "0," nxpk= "0," iat= "1014," "-1," r1= "1.30," r2= "1.80," r3= "4.25," r4= "4.75," igr2= "1064," "1065," &end # # 1829 TYR QE 3042 ASP- HA 5.04 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2133," r1= "1.30," r2= "1.80," r3= "5.04," r4= "5.54," igr1= "1022," "1027," &end # # 1829 TYR QE 1830 HIS HA 5.71 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1035," r1= "1.30," r2= "1.80," r3= "5.71," r4= "6.21," igr1= "1022," "1027," &end # # 1829 TYR QE 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= "1022," "1027," igr2= "2173," "2174," "2175," &end # # 1773 ILE HB 1829 TYR QE 5.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "152," "-1," r1= "1.30," r2= "1.80," r3= "5.17," r4= "5.67," igr2= "1022," "1027," &end # # 1829 TYR QE 3045 LEU HG 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2186," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1022," "1027," &end # # 1829 TYR QE 3045 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= "1022," "1027," igr2= "2183," "2184," &end # # 1777 ILE QD1 1829 TYR QE 5.31 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.31," r4= "5.81," igr1= "232," "233," "234," igr2= "1022," "1027," &end # # 1773 ILE QG2 1829 TYR QE 4.77 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.77," r4= "5.27," igr1= "154," "155," "156," igr2= "1022," "1027," &end # # 1829 TYR QD 3045 LEU HG 5.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2186," r1= "1.30," r2= "1.80," r3= "5.20," r4= "5.70," igr1= "1020," "1029," &end # # 1773 ILE QG2 1829 TYR QD 4.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.88," r4= "5.38," igr1= "154," "155," "156," igr2= "1020," "1029," &end # # 3053 TRP QB 3053 TRP HE3 5.15 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2317," r1= "1.30," r2= "1.80," r3= "5.15," r4= "5.65," igr1= "2302," "2303," &end # # 1841 VAL HB 1844 CYSZ QB 5.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "1206," "-1," r1= "1.30," r2= "1.80," r3= "5.16," r4= "5.66," igr2= "1257," "1256," &end # # 3053 TRP HA 3053 TRP HD1 4.08 (# ) &rst ixpk= "0," nxpk= "0," iat= "2300," "2306," r1= "1.30," r2= "1.80," r3= "4.08," r4= "4.58," &end # # 3052 GLN QB 3053 TRP HA 5.65 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2300," r1= "1.30," r2= "1.80," r3= "5.65," r4= "6.15," igr1= "2285," "2286," &end # # 3049 ASP- QB 3053 TRP HD1 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2306," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "2239," "2240," &end # # 3045 LEU HA 3053 TRP HZ2 5.28 (# ) &rst ixpk= "0," nxpk= "0," iat= "2181," "2311," r1= "1.30," r2= "1.80," r3= "5.28," r4= "5.78," &end # # 1822 GLN HA 3053 TRP HZ2 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "908," "2311," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1825 ALA QB 3053 TRP HZ2 5.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2311," r1= "1.30," r2= "1.80," r3= "5.64," r4= "6.14," igr1= "965," "966," "967," &end # # 1826 LEU QQD 3053 TRP HZ2 6.59 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2311," r1= "1.30," r2= "1.80," r3= "6.59," r4= "7.09," igr1= "980," "981," "982," "984," "985," "986," &end # # 3045 LEU QQD 3053 TRP HZ2 6.75 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2311," r1= "1.30," r2= "1.80," r3= "6.75," r4= "7.25," igr1= "2188," "2189," "2190," "2192," "2193," "2194," &end # # 1826 LEU QB 3053 TRP HZ3 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2315," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "975," "976," &end # # 3045 LEU QQD 3053 TRP HZ3 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2315," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "2188," "2189," "2190," "2192," "2193," "2194," &end # # 3045 LEU HA 3053 TRP HH2 5.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "2181," "2313," r1= "1.30," r2= "1.80," r3= "5.16," r4= "5.66," &end # # 1826 LEU QB 3053 TRP HH2 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2313," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "975," "976," &end # # 1826 LEU QQD 3053 TRP HH2 6.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2313," r1= "1.30," r2= "1.80," r3= "6.55," r4= "7.05," igr1= "980," "981," "982," "984," "985," "986," &end # # 3045 LEU QQD 3053 TRP HH2 6.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2313," r1= "1.30," r2= "1.80," r3= "6.51," r4= "7.01," igr1= "2188," "2189," "2190," "2192," "2193," "2194," &end # # 3050 ILE QD1 3053 TRP HH2 6.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2313," r1= "1.30," r2= "1.80," r3= "6.41," r4= "6.91," igr1= "2260," "2261," "2262," &end # # 1826 LEU HG 3053 TRP HH2 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "978," "2313," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 3053 TRP HA 3053 TRP HE3 5.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "2300," "2317," r1= "1.30," r2= "1.80," r3= "5.46," r4= "5.96," &end # # 1802 VAL QQG 3053 TRP HE3 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2317," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "611," "612," "613," "615," "616," "617," &end # # 3045 LEU QQD 3053 TRP HE3 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2317," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "2188," "2189," "2190," "2192," "2193," "2194," &end # # 3023 TRP HA 3023 TRP HE3 4.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "1832," "1849," r1= "1.30," r2= "1.80," r3= "4.41," r4= "4.91," &end # # 1824 ILE QD1 3023 TRP HE3 6.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1849," r1= "1.30," r2= "1.80," r3= "6.79," r4= "7.29," igr1= "955," "956," "957," &end # # 3023 TRP HE3 3026 LEU QB 6.29 (# ) &rst ixpk= "0," nxpk= "0," iat= "1849," "-1," r1= "1.30," r2= "1.80," r3= "6.29," r4= "6.79," igr2= "1899," "1900," &end # # 1847 ILE QG2 3023 TRP HZ3 4.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1847," r1= "1.30," r2= "1.80," r3= "4.43," r4= "4.93," igr1= "1301," "1302," "1303," &end # # 1851 LEU HA 3023 TRP HZ2 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1378," "1843," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1851 LEU HG 3023 TRP HZ2 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1383," "1843," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1850 LYS+ QD 3023 TRP HZ2 5.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1843," r1= "1.30," r2= "1.80," r3= "5.83," r4= "6.33," igr1= "1364," "1365," &end # # 1847 ILE QG2 3023 TRP HZ2 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1843," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1301," "1302," "1303," &end # # 1851 LEU QQD 3023 TRP HZ2 5.02 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1843," r1= "1.30," r2= "1.80," r3= "5.02," r4= "5.52," igr1= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1851 LEU QQD 3023 TRP HZ2 5.39 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1843," r1= "1.30," r2= "1.80," r3= "5.39," r4= "5.89," igr1= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1847 ILE HB 3023 TRP HH2 4.89 (# ) &rst ixpk= "0," nxpk= "0," iat= "1299," "1845," r1= "1.30," r2= "1.80," r3= "4.89," r4= "5.39," &end # # 1851 LEU HG 3023 TRP HH2 5.35 (# ) &rst ixpk= "0," nxpk= "0," iat= "1383," "1845," r1= "1.30," r2= "1.80," r3= "5.35," r4= "5.85," &end # # 1851 LEU QQD 3023 TRP HH2 4.44 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1845," r1= "1.30," r2= "1.80," r3= "4.44," r4= "4.94," igr1= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 3023 TRP HA 3023 TRP HD1 5.04 (# ) &rst ixpk= "0," nxpk= "0," iat= "1832," "1838," r1= "1.30," r2= "1.80," r3= "5.04," r4= "5.54," &end # # 1854 GLN QG 3023 TRP HD1 5.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1838," r1= "1.30," r2= "1.80," r3= "5.19," r4= "5.69," igr1= "1443," "1444," &end # # 1850 LYS+ QD 3023 TRP HD1 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1838," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1364," "1365," &end # # 3023 TRP HA 3023 TRP HZ3 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1832," "1847," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1836 GLU- HG+ 1839 CYS- QB 6.15 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.15," r4= "6.65," igr1= "1134," "1135," igr2= "1183," "1182," &end # # 1836 GLU- HG- 1839 CYS- QB 4.76 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.76," r4= "5.26," igr1= "1134," "1135," igr2= "1183," "1182," &end # # 1836 GLU- HA 1836 GLU- HG- 3.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "1129," "-1," r1= "1.30," r2= "1.80," r3= "3.87," r4= "4.37," igr2= "1134," "1135," &end # # 1836 GLU- HA 1837 ASN QB 6.22 (# ) &rst ixpk= "0," nxpk= "0," iat= "1129," "-1," r1= "1.30," r2= "1.80," r3= "6.22," r4= "6.72," igr2= "1146," "1147," &end # # 1836 GLU- HA 1836 GLU- HG+ 3.47 (# ) &rst ixpk= "0," nxpk= "0," iat= "1129," "-1," r1= "1.30," r2= "1.80," r3= "3.47," r4= "3.97," igr2= "1134," "1135," &end # # 1836 GLU- HB+ 1839 CYS- QB 4.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.01," r4= "4.51," igr1= "1131," "1132," igr2= "1183," "1182," &end # # 1836 GLU- HB- 1839 CYS- QB 4.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.87," r4= "5.37," igr1= "1131," "1132," igr2= "1183," "1182," &end # # 3033 SER HA 3034 PRO QD 3.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "2008," "-1," r1= "1.30," r2= "1.80," r3= "3.79," r4= "4.29," igr2= "2018," "2019," &end # # 3046 SER HA 3047 PRO QD 3.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "2200," "-1," r1= "1.30," r2= "1.80," r3= "3.86," r4= "4.36," igr2= "2210," "2211," &end # # 3033 SER HA 3034 PRO QG 5.9 (# ) &rst ixpk= "0," nxpk= "0," iat= "2008," "-1," r1= "1.30," r2= "1.80," r3= "5.90," r4= "6.40," igr2= "2021," "2022," &end # # 3046 SER HA 3047 PRO QG 6.29 (# ) &rst ixpk= "0," nxpk= "0," iat= "2200," "-1," r1= "1.30," r2= "1.80," r3= "6.29," r4= "6.79," igr2= "2213," "2214," &end # # 3030 ASN HA 3033 SER HB- 4.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "1959," "-1," r1= "1.30," r2= "1.80," r3= "4.83," r4= "5.33," igr2= "2010," "2011," &end # # 3029 ASN HB- 3033 SER HB- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "1947," "1948," igr2= "2010," "2011," &end # # 3029 ASN HB- 3033 SER HB+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "1947," "1948," igr2= "2010," "2011," &end # # 3030 ASN HA 3033 SER HB+ 4.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "1959," "-1," r1= "1.30," r2= "1.80," r3= "4.83," r4= "5.33," igr2= "2010," "2011," &end # # 3046 SER HA 3046 SER QB 3.26 (# ) &rst ixpk= "0," nxpk= "0," iat= "2200," "-1," r1= "1.30," r2= "1.80," r3= "3.26," r4= "3.76," igr2= "2202," "2203," &end # # 1835 GLN HA 1835 GLN QG 4.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "1112," "-1," r1= "1.30," r2= "1.80," r3= "4.32," r4= "4.82," igr2= "1117," "1118," &end # # 1787 ARG+ HA 1787 ARG+ QG 3.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "368," "-1," r1= "1.30," r2= "1.80," r3= "3.60," r4= "4.10," igr2= "373," "374," &end # # 3035 LEU HA 3035 LEU HG 3.58 (# ) &rst ixpk= "0," nxpk= "0," iat= "2033," "2038," r1= "1.30," r2= "1.80," r3= "3.58," r4= "4.08," &end # # 1787 ARG+ HA 1787 ARG+ QD 3.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "368," "-1," r1= "1.30," r2= "1.80," r3= "3.30," r4= "3.80," igr2= "376," "377," &end # # 3057 ASP- HA 3058 PRO HG+ 4.94 (# ) &rst ixpk= "0," nxpk= "0," iat= "2373," "-1," r1= "1.30," r2= "1.80," r3= "4.94," r4= "5.44," igr2= "2387," "2388," &end # # 1780 LEU HB+ 1799 MET QE 5.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.55," r4= "6.05," igr1= "270," "271," igr2= "553," "554," "555," &end # # 1780 LEU HB+ 1781 VAL QG2 5.26 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.26," r4= "5.76," igr1= "270," "271," igr2= "295," "296," "297," &end # # 1780 LEU HB+ 1826 LEU QQD 5.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.64," r4= "6.14," igr1= "270," "271," igr2= "980," "981," "982," "984," "985," "986," &end # # 1780 LEU HB+ 1780 LEU QQD 3.69 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.69," r4= "4.19," igr1= "270," "271," igr2= "275," "276," "277," "279," "280," "281," &end # # 1777 ILE HA 1780 LEU HA 5.45 (# ) &rst ixpk= "0," nxpk= "0," iat= "221," "268," r1= "1.30," r2= "1.80," r3= "5.45," r4= "5.95," &end # # 1780 LEU HA 1783 ALA QB 5.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "268," "-1," r1= "1.30," r2= "1.80," r3= "5.12," r4= "5.62," igr2= "322," "323," "324," &end # # 1780 LEU HA 1780 LEU QQD 4.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "268," "-1," r1= "1.30," r2= "1.80," r3= "4.01," r4= "4.51," igr2= "275," "276," "277," "279," "280," "281," &end # # 1780 LEU HA 1781 VAL QG2 6.57 (# ) &rst ixpk= "0," nxpk= "0," iat= "268," "-1," r1= "1.30," r2= "1.80," r3= "6.57," r4= "7.07," igr2= "295," "296," "297," &end # # 1780 LEU HA 1826 LEU QQD 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "268," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "980," "981," "982," "984," "985," "986," &end # # 1780 LEU HG 1841 VAL HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "273," "1204," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1780 LEU QQD 1799 MET HB+ 4.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.64," r4= "5.14," igr1= "275," "276," "277," "279," "280," "281," igr2= "546," "547," &end # # 1780 LEU QQD 1823 LEU HG 5.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "930," r1= "1.30," r2= "1.80," r3= "5.20," r4= "5.70," igr1= "275," "276," "277," "279," "280," "281," &end # # 1780 LEU QQD 1826 LEU QQD 4.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.64," r4= "5.14," igr1= "275," "276," "277," "279," "280," "281," igr2= "980," "981," "982," "984," "985," "986," &end # # 1780 LEU QQD 1830 HIS HD2 6.65 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1046," r1= "1.30," r2= "1.80," r3= "6.65," r4= "7.15," igr1= "275," "276," "277," "279," "280," "281," &end # # 1780 LEU QQD 1823 LEU HA 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "925," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "275," "276," "277," "279," "280," "281," &end # # 1780 LEU HA 1780 LEU QQD 4.8 (# ) &rst ixpk= "0," nxpk= "0," iat= "268," "-1," r1= "1.30," r2= "1.80," r3= "4.80," r4= "5.30," igr2= "275," "276," "277," "279," "280," "281," &end # # 1780 LEU QQD 1841 VAL HA 4.95 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1204," r1= "1.30," r2= "1.80," r3= "4.95," r4= "5.45," igr1= "275," "276," "277," "279," "280," "281," &end # # 1780 LEU QQD 1842 PRO HG- 4.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.52," r4= "5.02," igr1= "275," "276," "277," "279," "280," "281," igr2= "1222," "1223," &end # # 1780 LEU HB- 1780 LEU QQD 3.78 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.78," r4= "4.28," igr1= "270," "271," igr2= "275," "276," "277," "279," "280," "281," &end # # 1780 LEU QQD 1841 VAL QG2 7.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.93," r4= "8.43," igr1= "275," "276," "277," "279," "280," "281," igr2= "1212," "1213," "1214," &end # # 1805 HIS HD2 1823 LEU QQD 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "667," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "932," "933," "934," "936," "937," "938," &end # # 1823 LEU QQD 1843 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= "932," "933," "934," "936," "937," "938," igr2= "1240," "1248," &end # # 1823 LEU QQD 1843 PHE QE 5.89 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.89," r4= "6.39," igr1= "932," "933," "934," "936," "937," "938," igr2= "1242," "1246," &end # # 1823 LEU HA 1823 LEU QQD 4.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "925," "-1," r1= "1.30," r2= "1.80," r3= "4.72," r4= "5.22," igr2= "932," "933," "934," "936," "937," "938," &end # # 1806 THR HB 1823 LEU QQD 4.54 (# ) &rst ixpk= "0," nxpk= "0," iat= "675," "-1," r1= "1.30," r2= "1.80," r3= "4.54," r4= "5.04," igr2= "932," "933," "934," "936," "937," "938," &end # # 1820 CYSZ HA 1823 LEU QQD 4.4 (# ) &rst ixpk= "0," nxpk= "0," iat= "876," "-1," r1= "1.30," r2= "1.80," r3= "4.40," r4= "4.90," igr2= "932," "933," "934," "936," "937," "938," &end # # 1803 VAL HA 1823 LEU QQD 4.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "623," "-1," r1= "1.30," r2= "1.80," r3= "4.73," r4= "5.23," igr2= "932," "933," "934," "936," "937," "938," &end # # 1823 LEU HB+ 1823 LEU QQD 3.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.98," r4= "4.48," igr1= "927," "928," igr2= "932," "933," "934," "936," "937," "938," &end # # 1806 THR QG2 1823 LEU QQD 4.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.66," r4= "5.16," igr1= "677," "678," "679," igr2= "932," "933," "934," "936," "937," "938," &end # # 1802 VAL QG2 1805 HIS HB+ 6.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.16," r4= "6.66," igr1= "615," "616," "617," igr2= "658," "659," &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 HB- 1823 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= "927," "928," igr2= "932," "933," "934," "936," "937," "938," &end # # 1802 VAL QG1 1823 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= "611," "612," "613," igr2= "927," "928," &end # # 1823 LEU HB+ 1823 LEU QQD 4.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.18," r4= "4.68," igr1= "927," "928," igr2= "932," "933," "934," "936," "937," "938," &end # # 1847 ILE HB 3023 TRP HZ3 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1299," "1847," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1828 CYS HA 1847 ILE HB 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1003," "1299," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1847 ILE HB 1851 LEU QQD 5.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "1299," "-1," r1= "1.30," r2= "1.80," r3= "5.85," r4= "6.35," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1847 ILE QG2 3023 TRP HH2 4.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1845," r1= "1.30," r2= "1.80," r3= "4.43," r4= "4.93," igr1= "1301," "1302," "1303," &end # # 1831 ALA HA 1847 ILE QG2 5.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "1052," "-1," r1= "1.30," r2= "1.80," r3= "5.85," r4= "6.35," igr2= "1301," "1302," "1303," &end # # 1844 CYSZ HA 1847 ILE QG2 6.08 (# ) &rst ixpk= "0," nxpk= "0," iat= "1254," "-1," r1= "1.30," r2= "1.80," r3= "6.08," r4= "6.58," igr2= "1301," "1302," "1303," &end # # 1828 CYS QB 1847 ILE QG2 6.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.16," r4= "6.66," igr1= "1005," "1006," igr2= "1301," "1302," "1303," &end # # 1847 ILE QG2 1851 LEU QQD 5.09 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.09," r4= "5.59," igr1= "1301," "1302," "1303," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &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 # # 1847 ILE QG2 3023 TRP HE3 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1849," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1301," "1302," "1303," &end # # 1773 ILE HB 1774 GLN HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "152," "169," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1770 ARG+ HA 1773 ILE HB 3.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "96," "152," r1= "1.30," r2= "1.80," r3= "3.61," r4= "4.11," &end # # 1776 CYS QB 1773 ILE HB 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "152," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "212," "213," &end # # 1773 ILE HB 1777 ILE QD1 6.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "152," "-1," r1= "1.30," r2= "1.80," r3= "6.46," r4= "6.96," igr2= "232," "233," "234," &end # # 1773 ILE HB 1773 ILE QD1 3.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "152," "-1," r1= "1.30," r2= "1.80," r3= "3.84," r4= "4.34," igr2= "161," "162," "163," &end # # 1773 ILE QD1 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= "161," "162," "163," igr2= "1020," "1029," &end # # 1773 ILE QD1 1829 TYR QE 5.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.30," r4= "5.80," igr1= "161," "162," "163," igr2= "1022," "1027," &end # # 1773 ILE QD1 3045 LEU HA 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2181," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "161," "162," "163," &end # # 1773 ILE QD1 3047 PRO HA 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2219," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "161," "162," "163," &end # # 1770 ARG+ HA 1773 ILE QD1 4.02 (# ) &rst ixpk= "0," nxpk= "0," iat= "96," "-1," r1= "1.30," r2= "1.80," r3= "4.02," r4= "4.52," igr2= "161," "162," "163," &end # # 1769 ARG+ HA 1773 ILE QD1 5.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "72," "-1," r1= "1.30," r2= "1.80," r3= "5.86," r4= "6.36," igr2= "161," "162," "163," &end # # 1773 ILE HA 1773 ILE QD1 4.76 (# ) &rst ixpk= "0," nxpk= "0," iat= "150," "-1," r1= "1.30," r2= "1.80," r3= "4.76," r4= "5.26," igr2= "161," "162," "163," &end # # 1769 ARG+ QD 1773 ILE QD1 5.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.30," r4= "5.80," igr1= "80," "81," igr2= "161," "162," "163," &end # # 1773 ILE QD1 3042 ASP- QB 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= "2135," "2136," &end # # 1770 ARG+ QB 1773 ILE QD1 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "98," "99," igr2= "161," "162," "163," &end # # 1773 ILE QD1 1777 ILE QD1 7.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.34," r4= "7.84," igr1= "161," "162," "163," igr2= "232," "233," "234," &end # # 1773 ILE QG2 1773 ILE QD1 4.4 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.40," r4= "4.90," igr1= "154," "155," "156," igr2= "161," "162," "163," &end # # 1773 ILE QD1 3053 TRP HH2 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2313," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "161," "162," "163," &end # # 1772 SER HA 1773 ILE HA 5.44 (# ) &rst ixpk= "0," nxpk= "0," iat= "139," "150," r1= "1.30," r2= "1.80," r3= "5.44," r4= "5.94," &end # # 1773 ILE HA 1776 CYS HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "150," "210," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1770 ARG+ HA 1773 ILE HA 5.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "96," "150," r1= "1.30," r2= "1.80," r3= "5.70," r4= "6.20," &end # # 1773 ILE HA 1776 CYS HB- 4.28 (# ) &rst ixpk= "0," nxpk= "0," iat= "150," "-1," r1= "1.30," r2= "1.80," r3= "4.28," r4= "4.78," igr2= "212," "213," &end # # 1773 ILE HA 1773 ILE HG13 3.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "150," "159," r1= "1.30," r2= "1.80," r3= "3.52," r4= "4.02," &end # # 1773 ILE HA 1826 LEU QQD 5.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "150," "-1," r1= "1.30," r2= "1.80," r3= "5.52," r4= "6.02," igr2= "980," "981," "982," "984," "985," "986," &end # # 1773 ILE HA 1773 ILE QG2 3.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "150," "-1," r1= "1.30," r2= "1.80," r3= "3.61," r4= "4.11," igr2= "154," "155," "156," &end # # 1773 ILE HA 1773 ILE HG12 3.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "150," "158," r1= "1.30," r2= "1.80," r3= "3.52," r4= "4.02," &end # # 1773 ILE QG2 1774 GLN HA 4.95 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "169," r1= "1.30," r2= "1.80," r3= "4.95," r4= "5.45," igr1= "154," "155," "156," &end # # 1773 ILE QG2 1776 CYS HB- 6.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.30," r4= "6.80," igr1= "154," "155," "156," igr2= "212," "213," &end # # 1773 ILE QG2 1777 ILE HB 5.68 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "223," r1= "1.30," r2= "1.80," r3= "5.68," r4= "6.18," igr1= "154," "155," "156," &end # # 1773 ILE QG2 1826 LEU QB 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "154," "155," "156," igr2= "975," "976," &end # # 1773 ILE QG2 3044 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= "154," "155," "156," igr2= "2173," "2174," "2175," &end # # 1773 ILE QG2 1826 LEU QQD 5.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.70," r4= "6.20," igr1= "154," "155," "156," igr2= "980," "981," "982," "984," "985," "986," &end # # 1777 ILE QG2 1829 TYR QD 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= "1020," "1029," &end # # 1764 SER HA 1765 PRO HD- 3.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "4," "-1," r1= "1.30," r2= "1.80," r3= "3.32," r4= "3.82," igr2= "14," "15," &end # # 1818 PRO HA 1821 LYS+ HD- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "854," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "894," "895," &end # # 1818 PRO HA 1821 LYS+ HD+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "854," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "894," "895," &end # # 1818 PRO HA 1821 LYS+ QB 3.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "854," "-1," r1= "1.30," r2= "1.80," r3= "3.93," r4= "4.43," igr2= "888," "889," &end # # 1818 PRO HA 1821 LYS+ QG 5.08 (# ) &rst ixpk= "0," nxpk= "0," iat= "854," "-1," r1= "1.30," r2= "1.80," r3= "5.08," r4= "5.58," igr2= "891," "892," &end # # 1793 LEU QQD 1794 PRO HA 7.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "478," r1= "1.30," r2= "1.80," r3= "7.23," r4= "7.73," igr1= "458," "459," "460," "462," "463," "464," &end # # 1794 PRO HA 1797 GLN HB- 3.76 (# ) &rst ixpk= "0," nxpk= "0," iat= "478," "-1," r1= "1.30," r2= "1.80," r3= "3.76," r4= "4.26," igr2= "507," "508," &end # # 1793 LEU HB+ 1794 PRO HD+ 3.78 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.78," r4= "4.28," igr1= "453," "454," igr2= "469," "470," &end # # 1793 LEU HB- 1794 PRO HD+ 4.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.60," r4= "5.10," igr1= "453," "454," igr2= "469," "470," &end # # 1793 LEU HB+ 1794 PRO HD- 3.8 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.80," r4= "4.30," igr1= "453," "454," igr2= "469," "470," &end # # 1793 LEU HA 1794 PRO HD- 2.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "451," "-1," r1= "1.30," r2= "1.80," r3= "2.93," r4= "3.43," igr2= "469," "470," &end # # 1839 CYS- HA 1840 PRO HD+ 3.54 (# ) &rst ixpk= "0," nxpk= "0," iat= "1180," "-1," r1= "1.30," r2= "1.80," r3= "3.54," r4= "4.04," igr2= "1189," "1190," &end # # 1839 CYS- QB 1840 PRO HD+ 4.48 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.48," r4= "4.98," igr1= "1183," "1182," igr2= "1189," "1190," &end # # 1836 GLU- HG- 1840 PRO HD+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "1134," "1135," igr2= "1189," "1190," &end # # 1781 VAL QG1 1840 PRO HD+ 6.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.52," r4= "7.02," igr1= "291," "292," "293," igr2= "1189," "1190," &end # # 1840 PRO HD+ 1841 VAL QG2 5.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.85," r4= "6.35," igr1= "1189," "1190," igr2= "1212," "1213," "1214," &end # # 1839 CYS- QB 1840 PRO HD- 4.56 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.56," r4= "5.06," igr1= "1183," "1182," igr2= "1189," "1190," &end # # 1803 VAL QG2 1842 PRO HD- 5.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.79," r4= "6.29," igr1= "631," "632," "633," igr2= "1219," "1220," &end # # 1841 VAL QG1 1842 PRO HD- 4.37 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.37," r4= "4.87," igr1= "1208," "1209," "1210," igr2= "1219," "1220," &end # # 1841 VAL QG1 1842 PRO HD+ 4.37 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.37," r4= "4.87," igr1= "1208," "1209," "1210," igr2= "1219," "1220," &end # # 1803 VAL QG2 1842 PRO HD+ 5.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.79," r4= "6.29," igr1= "631," "632," "633," igr2= "1219," "1220," &end # # 1840 PRO HG+ 1841 VAL QG2 6.21 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.21," r4= "6.71," igr1= "1192," "1193," igr2= "1212," "1213," "1214," &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= "2169," "2170," &end # # 1829 TYR QE 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= "1022," "1027," igr2= "2169," "2170," &end # # 3044 MET HB- 3044 MET HG+ 3.03 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.03," r4= "3.53," igr1= "2166," "2167," igr2= "2169," "2170," &end # # 1825 ALA QB 3044 MET HG+ 4.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.74," r4= "5.24," igr1= "965," "966," "967," igr2= "2169," "2170," &end # # 3044 MET QG 3045 LEU QQD 7.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.93," r4= "8.43," igr1= "2169," "2170," igr2= "2188," "2189," "2190," "2192," "2193," "2194," &end # # 1773 ILE QD1 3044 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= "161," "162," "163," igr2= "2169," "2170," &end # # 1773 ILE QD1 3044 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= "161," "162," "163," igr2= "2169," "2170," &end # # 1825 ALA QB 3044 MET HG- 4.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.79," r4= "5.29," igr1= "965," "966," "967," igr2= "2169," "2170," &end # # 3044 MET HG- 3044 MET QE 3.54 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.54," r4= "4.04," igr1= "2169," "2170," igr2= "2173," "2174," "2175," &end # # 3040 MET HA 3040 MET QG 4.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "2104," "-1," r1= "1.30," r2= "1.80," r3= "4.50," r4= "5.00," igr2= "2109," "2110," &end # # 3041 ASP- HA 3044 MET HG- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "2121," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "2169," "2170," &end # # 1829 TYR QE 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= "1022," "1027," igr2= "2169," "2170," &end # # 1799 MET QE 3054 PHE QE 5.37 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.37," r4= "5.87," igr1= "553," "554," "555," igr2= "2332," "2336," &end # # 1799 MET QE 3053 TRP HZ3 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2315," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "553," "554," "555," &end # # 1799 MET HA 1799 MET QE 5.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "544," "-1," r1= "1.30," r2= "1.80," r3= "5.43," r4= "5.93," igr2= "553," "554," "555," &end # # 1779 SER HB+ 1799 MET QE 4.56 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.56," r4= "5.06," igr1= "259," "260," igr2= "553," "554," "555," &end # # 1799 MET HB+ 1799 MET QE 5.94 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.94," r4= "6.44," igr1= "546," "547," igr2= "553," "554," "555," &end # # 1780 LEU HB- 1799 MET QE 5.28 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.28," r4= "5.78," igr1= "270," "271," igr2= "553," "554," "555," &end # # 1799 MET QE 1826 LEU QQD 4.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.93," r4= "5.43," igr1= "553," "554," "555," igr2= "980," "981," "982," "984," "985," "986," &end # # 1780 LEU QQD 1799 MET QE 4.75 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.75," r4= "5.25," igr1= "275," "276," "277," "279," "280," "281," igr2= "553," "554," "555," &end # # 1799 MET QE 3050 ILE QG2 7.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.93," r4= "8.43," igr1= "553," "554," "555," igr2= "2253," "2254," "2255," &end # # 1799 MET QE 3050 ILE QD1 7.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.93," r4= "8.43," igr1= "553," "554," "555," igr2= "2260," "2261," "2262," &end # # 3044 MET QE 3053 TRP HH2 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2313," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "2173," "2174," "2175," &end # # 1829 TYR QD 3044 MET QE 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= "2173," "2174," "2175," &end # # 3041 ASP- HA 3040 MET QE 6.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "2121," "-1," r1= "1.30," r2= "1.80," r3= "6.73," r4= "7.23," igr2= "2113," "2114," "2115," &end # # 1829 TYR HA 3044 MET QE 4.05 (# ) &rst ixpk= "0," nxpk= "0," iat= "1014," "-1," r1= "1.30," r2= "1.80," r3= "4.05," r4= "4.55," igr2= "2173," "2174," "2175," &end # # 1832 LYS+ QE 3044 MET QE 6.35 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.35," r4= "6.85," igr1= "1073," "1074," igr2= "2173," "2174," "2175," &end # # 3044 MET HG+ 3044 MET QE 4.59 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.59," r4= "5.09," igr1= "2169," "2170," igr2= "2173," "2174," "2175," &end # # 1825 ALA QB 3044 MET QE 6.04 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.04," r4= "6.54," igr1= "965," "966," "967," igr2= "2173," "2174," "2175," &end # # 1832 LYS+ HD+ 3044 MET QE 5.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.30," r4= "5.80," igr1= "1070," "1071," igr2= "2173," "2174," "2175," &end # # 1773 ILE QD1 3044 MET QE 7.31 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.31," r4= "7.81," igr1= "161," "162," "163," igr2= "2173," "2174," "2175," &end # # 3044 MET HA 3043 LEU HG 5.36 (# ) &rst ixpk= "0," nxpk= "0," iat= "2164," "2150," r1= "1.30," r2= "1.80," r3= "5.36," r4= "5.86," &end # # 3039 ALA QB 3040 MET HA 6.44 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2104," r1= "1.30," r2= "1.80," r3= "6.44," r4= "6.94," igr1= "2096," "2097," "2098," &end # # 3043 LEU QQD 3044 MET HA 5.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2164," r1= "1.30," r2= "1.80," r3= "5.73," r4= "6.23," igr1= "2152," "2153," "2154," "2156," "2157," "2158," &end # # 1799 MET HA 1799 MET HG+ 4.11 (# ) &rst ixpk= "0," nxpk= "0," iat= "544," "-1," r1= "1.30," r2= "1.80," r3= "4.11," r4= "4.61," igr2= "549," "550," &end # # 1780 LEU HA 1799 MET HG+ 3.49 (# ) &rst ixpk= "0," nxpk= "0," iat= "268," "-1," r1= "1.30," r2= "1.80," r3= "3.49," r4= "3.99," igr2= "549," "550," &end # # 1779 SER HB- 1799 MET HG+ 4.65 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.65," r4= "5.15," igr1= "259," "260," igr2= "549," "550," &end # # 1799 MET HG+ 1799 MET QE 4.89 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.89," r4= "5.39," igr1= "549," "550," igr2= "553," "554," "555," &end # # 1799 MET HG+ 1826 LEU QQD 6.08 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.08," r4= "6.58," igr1= "549," "550," igr2= "980," "981," "982," "984," "985," "986," &end # # 1780 LEU QQD 1799 MET HG+ 5.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.14," r4= "5.64," igr1= "275," "276," "277," "279," "280," "281," igr2= "549," "550," &end # # 1803 VAL QG1 1804 GLN QG 5.76 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.76," r4= "6.26," igr1= "627," "628," "629," igr2= "644," "645," &end # # 1783 ALA QB 1799 MET HG- 4.89 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.89," r4= "5.39," igr1= "322," "323," "324," igr2= "549," "550," &end # # 1799 MET HG- 1799 MET QE 4.76 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.76," r4= "5.26," igr1= "549," "550," igr2= "553," "554," "555," &end # # 1804 GLN HA 1804 GLN QG 3.56 (# ) &rst ixpk= "0," nxpk= "0," iat= "639," "-1," r1= "1.30," r2= "1.80," r3= "3.56," r4= "4.06," igr2= "644," "645," &end # # 1799 MET HA 1799 MET HG- 3.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "544," "-1," r1= "1.30," r2= "1.80," r3= "3.32," r4= "3.82," igr2= "549," "550," &end # # 1799 MET HA 1802 VAL QG2 4.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "544," "-1," r1= "1.30," r2= "1.80," r3= "4.32," r4= "4.82," igr2= "615," "616," "617," &end # # 1780 LEU QQD 1799 MET HA 5.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "544," r1= "1.30," r2= "1.80," r3= "5.66," r4= "6.16," igr1= "275," "276," "277," "279," "280," "281," &end # # 1780 LEU HA 1799 MET HB+ 3.89 (# ) &rst ixpk= "0," nxpk= "0," iat= "268," "-1," r1= "1.30," r2= "1.80," r3= "3.89," r4= "4.39," igr2= "546," "547," &end # # 1780 LEU QQD 1799 MET HB- 5.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.92," r4= "6.42," igr1= "275," "276," "277," "279," "280," "281," igr2= "546," "547," &end # # 1780 LEU HA 1799 MET HB- 4.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "268," "-1," r1= "1.30," r2= "1.80," r3= "4.99," r4= "5.49," igr2= "546," "547," &end # # 1819 VAL QG1 3054 PHE HA 6.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2324," r1= "1.30," r2= "1.80," r3= "6.53," r4= "7.03," igr1= "864," "865," "866," &end # # 1819 VAL QG2 3054 PHE HA 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2324," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "868," "869," "870," &end # # 3054 PHE HA 3054 PHE QD 5.03 (# ) &rst ixpk= "0," nxpk= "0," iat= "2324," "-1," r1= "1.30," r2= "1.80," r3= "5.03," r4= "5.53," igr2= "2330," "2338," &end # # 1843 PHE QE 3019 PHE QB 6.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.93," r4= "7.43," igr1= "1242," "1246," igr2= "1772," "1773," &end # # 3016 GLN HA 3019 PHE QB 5.08 (# ) &rst ixpk= "0," nxpk= "0," iat= "1724," "-1," r1= "1.30," r2= "1.80," r3= "5.08," r4= "5.58," igr2= "1772," "1773," &end # # 1843 PHE QD 3019 PHE QD 6.21 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.21," r4= "6.71," igr1= "1240," "1248," igr2= "1776," "1784," &end # # 1843 PHE QE 3019 PHE QD 6.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.50," r4= "7.00," igr1= "1242," "1246," igr2= "1776," "1784," &end # # 1824 ILE QD1 3019 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= "955," "956," "957," igr2= "1776," "1784," &end # # 1843 PHE QD 3019 PHE QE 5.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.97," r4= "6.47," igr1= "1240," "1248," igr2= "1778," "1782," &end # # 1847 ILE HG13 3019 PHE QE 5.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "1306," "-1," r1= "1.30," r2= "1.80," r3= "5.88," r4= "6.38," igr2= "1778," "1782," &end # # 1824 ILE QD1 3019 PHE QE 6.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.12," r4= "6.62," igr1= "955," "956," "957," igr2= "1778," "1782," &end # # 3019 PHE QE 1847 ILE QG2 6.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.12," r4= "6.62," igr1= "1778," "1782," igr2= "1301," "1302," "1303," &end # # 1823 LEU HA 3054 PHE QD 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "925," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "2330," "2338," &end # # 1802 VAL HB 3054 PHE QD 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "609," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "2330," "2338," &end # # 1798 LYS+ HB- 3054 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= "524," "525," igr2= "2330," "2338," &end # # 1798 LYS+ QD 3054 PHE QD 6.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.60," r4= "7.10," igr1= "530," "531," igr2= "2330," "2338," &end # # 1802 VAL QG2 3054 PHE QD 4.91 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.91," r4= "5.41," igr1= "615," "616," "617," igr2= "2330," "2338," &end # # 1802 VAL QG1 3054 PHE QD 5.54 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.54," r4= "6.04," igr1= "611," "612," "613," igr2= "2330," "2338," &end # # 3050 ILE QD1 3054 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= "2260," "2261," "2262," igr2= "2330," "2338," &end # # 1843 PHE HA 1843 PHE QD 4.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "1234," "-1," r1= "1.30," r2= "1.80," r3= "4.14," r4= "4.64," igr2= "1240," "1248," &end # # 1823 LEU HB+ 3054 PHE QE 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "927," "928," igr2= "2332," "2336," &end # # 1802 VAL QG2 3054 PHE QE 5.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.16," r4= "5.66," igr1= "615," "616," "617," igr2= "2332," "2336," &end # # 1802 VAL QG1 3054 PHE QE 5.57 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.57," r4= "6.07," igr1= "611," "612," "613," igr2= "2332," "2336," &end # # 1843 PHE HA 1843 PHE QE 6.11 (# ) &rst ixpk= "0," nxpk= "0," iat= "1234," "-1," r1= "1.30," r2= "1.80," r3= "6.11," r4= "6.61," igr2= "1242," "1246," &end # # 1823 LEU HG 1843 PHE QE 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "930," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "1242," "1246," &end # # 1806 THR QG2 1843 PHE QE 5.15 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.15," r4= "5.65," igr1= "677," "678," "679," igr2= "1242," "1246," &end # # 1824 ILE QD1 1843 PHE QE 6.69 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.69," r4= "7.19," igr1= "955," "956," "957," igr2= "1242," "1246," &end # # 1823 LEU HA 3054 PHE HZ 4.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "925," "2334," r1= "1.30," r2= "1.80," r3= "4.83," r4= "5.33," &end # # 1823 LEU HB+ 3054 PHE HZ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2334," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "927," "928," &end # # 1826 LEU QB 3054 PHE HZ 5.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2334," r1= "1.30," r2= "1.80," r3= "5.60," r4= "6.10," igr1= "975," "976," &end # # 1799 MET QE 3054 PHE HZ 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2334," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "553," "554," "555," &end # # 1802 VAL QG2 3054 PHE HZ 5.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2334," r1= "1.30," r2= "1.80," r3= "5.84," r4= "6.34," igr1= "615," "616," "617," &end # # 1826 LEU QQD 3054 PHE HZ 6.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2334," r1= "1.30," r2= "1.80," r3= "6.23," r4= "6.73," igr1= "980," "981," "982," "984," "985," "986," &end # # 1780 LEU QQD 3054 PHE HZ 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2334," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "275," "276," "277," "279," "280," "281," &end # # 1802 VAL QG1 3054 PHE HZ 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2334," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "611," "612," "613," &end # # 1823 LEU HB- 3054 PHE HZ 4.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2334," r1= "1.30," r2= "1.80," r3= "4.60," r4= "5.10," igr1= "927," "928," &end # # 1806 THR QG2 1843 PHE HZ 6.21 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1244," r1= "1.30," r2= "1.80," r3= "6.21," r4= "6.71," igr1= "677," "678," "679," &end # # 1843 PHE HZ 3018 THR QG2 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "1244," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "1760," "1761," "1762," &end # # 3018 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= "1760," "1761," "1762," igr2= "1242," "1246," &end # # 1823 LEU QQD 1843 PHE HZ 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1244," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "932," "933," "934," "936," "937," "938," &end # # 1838 LYS+ HA 1838 LYS+ HG+ 3.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "1158," "-1," r1= "1.30," r2= "1.80," r3= "3.96," r4= "4.46," igr2= "1163," "1164," &end # # 1838 LYS+ HG- 1838 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= "1163," "1164," igr2= "1169," "1170," &end # # 1838 LYS+ HA 1838 LYS+ QD 3.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "1158," "-1," r1= "1.30," r2= "1.80," r3= "3.42," r4= "3.92," igr2= "1166," "1167," &end # # 1838 LYS+ HA 1838 LYS+ HG- 3.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "1158," "-1," r1= "1.30," r2= "1.80," r3= "3.60," r4= "4.10," igr2= "1163," "1164," &end # # 1838 LYS+ HA 1845 LEU QQD 4.02 (# ) &rst ixpk= "0," nxpk= "0," iat= "1158," "-1," r1= "1.30," r2= "1.80," r3= "4.02," r4= "4.52," igr2= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1838 LYS+ HB- 1838 LYS+ QE 4.67 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.67," r4= "5.17," igr1= "1160," "1161," igr2= "1169," "1170," &end # # 1838 LYS+ QD 1838 LYS+ QE 3.57 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.57," r4= "4.07," igr1= "1166," "1167," igr2= "1169," "1170," &end # # 1838 LYS+ HG- 1838 LYS+ QD 3.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.34," r4= "3.84," igr1= "1163," "1164," igr2= "1166," "1167," &end # # 1838 LYS+ HA 1838 LYS+ QE 4.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "1158," "-1," r1= "1.30," r2= "1.80," r3= "4.98," r4= "5.48," igr2= "1169," "1170," &end # # 1838 LYS+ HB+ 1838 LYS+ QE 4.67 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.67," r4= "5.17," igr1= "1160," "1161," igr2= "1169," "1170," &end # # 1838 LYS+ HG+ 1838 LYS+ QE 3.81 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.81," r4= "4.31," igr1= "1163," "1164," igr2= "1169," "1170," &end # # 1832 LYS+ HA 1832 LYS+ QE 5.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "1062," "-1," r1= "1.30," r2= "1.80," r3= "5.72," r4= "6.22," igr2= "1073," "1074," &end # # 1832 LYS+ HA 1832 LYS+ HG+ 3.47 (# ) &rst ixpk= "0," nxpk= "0," iat= "1062," "-1," r1= "1.30," r2= "1.80," r3= "3.47," r4= "3.97," igr2= "1067," "1068," &end # # 1832 LYS+ HA 1832 LYS+ HG- 3.47 (# ) &rst ixpk= "0," nxpk= "0," iat= "1062," "-1," r1= "1.30," r2= "1.80," r3= "3.47," r4= "3.97," igr2= "1067," "1068," &end # # 1832 LYS+ HA 1851 LEU QQD 4.94 (# ) &rst ixpk= "0," nxpk= "0," iat= "1062," "-1," r1= "1.30," r2= "1.80," r3= "4.94," r4= "5.44," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1832 LYS+ HA 1832 LYS+ QD 4.75 (# ) &rst ixpk= "0," nxpk= "0," iat= "1062," "-1," r1= "1.30," r2= "1.80," r3= "4.75," r4= "5.25," igr2= "1070," "1071," &end # # 1829 TYR HA 1832 LYS+ HD- 4.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "1014," "-1," r1= "1.30," r2= "1.80," r3= "4.87," r4= "5.37," igr2= "1070," "1071," &end # # 1832 LYS+ QD 1851 LEU QQD 5.28 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.28," r4= "5.78," igr1= "1070," "1071," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1829 TYR HA 1832 LYS+ HB+ 4.25 (# ) &rst ixpk= "0," nxpk= "0," iat= "1014," "-1," r1= "1.30," r2= "1.80," r3= "4.25," r4= "4.75," igr2= "1064," "1065," &end # # 1832 LYS+ HB+ 1832 LYS+ QE 4.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.52," r4= "5.02," igr1= "1064," "1065," igr2= "1073," "1074," &end # # 1832 LYS+ HB- 1832 LYS+ QE 4.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.52," r4= "5.02," igr1= "1064," "1065," igr2= "1073," "1074," &end # # 1848 LYS+ HB- 1848 LYS+ HE+ 4.71 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.71," r4= "5.21," igr1= "1318," "1319," igr2= "1327," "1328," &end # # 1821 LYS+ QB 1821 LYS+ QE 5.09 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.09," r4= "5.59," igr1= "888," "889," igr2= "897," "898," &end # # 1845 LEU HA 1848 LYS+ HE+ 4.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "1264," "-1," r1= "1.30," r2= "1.80," r3= "4.98," r4= "5.48," igr2= "1327," "1328," &end # # 1845 LEU HB+ 1845 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= "1266," "1267," igr2= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1845 LEU HB- 1845 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= "1266," "1267," igr2= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1845 LEU HA 1845 LEU HG 3.8 (# ) &rst ixpk= "0," nxpk= "0," iat= "1264," "1269," r1= "1.30," r2= "1.80," r3= "3.80," r4= "4.30," &end # # 1837 ASN HA 1845 LEU QQD 6.22 (# ) &rst ixpk= "0," nxpk= "0," iat= "1144," "-1," r1= "1.30," r2= "1.80," r3= "6.22," r4= "6.72," igr2= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1845 LEU HA 1845 LEU QQD 4.9 (# ) &rst ixpk= "0," nxpk= "0," iat= "1264," "-1," r1= "1.30," r2= "1.80," r3= "4.90," r4= "5.40," igr2= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 3043 LEU HB- 3043 LEU QQD 4.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.96," r4= "5.46," igr1= "2147," "2148," igr2= "2152," "2153," "2154," "2156," "2157," "2158," &end # # 1838 LYS+ QE 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= "1169," "1170," igr2= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1838 LYS+ HA 1845 LEU QQD 5.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "1158," "-1," r1= "1.30," r2= "1.80," r3= "5.32," r4= "5.82," igr2= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1845 LEU HA 1845 LEU QQD 3.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "1264," "-1," r1= "1.30," r2= "1.80," r3= "3.73," r4= "4.23," igr2= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1845 LEU QQD 1848 LYS+ HE+ 4.56 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.56," r4= "5.06," igr1= "1271," "1272," "1273," "1275," "1276," "1277," igr2= "1327," "1328," &end # # 1845 LEU QQD 1848 LYS+ HB+ 4.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.55," r4= "5.05," igr1= "1271," "1272," "1273," "1275," "1276," "1277," igr2= "1318," "1319," &end # # 1845 LEU QQD 1848 LYS+ HB- 4.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.55," r4= "5.05," igr1= "1271," "1272," "1273," "1275," "1276," "1277," igr2= "1318," "1319," &end # # 1819 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= "864," "865," "866," igr2= "2330," "2338," &end # # 1818 PRO HA 1819 VAL QG2 6.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "854," "-1," r1= "1.30," r2= "1.80," r3= "6.16," r4= "6.66," igr2= "868," "869," "870," &end # # 1819 VAL QG1 3054 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= "864," "865," "866," igr2= "2326," "2327," &end # # 1819 VAL QQG 3053 TRP QB 8.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "8.32," r4= "8.82," igr1= "864," "865," "866," "868," "869," "870," igr2= "2302," "2303," &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 # # 1802 VAL HB 1819 VAL QG1 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "609," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "864," "865," "866," &end # # 1818 PRO QG 1819 VAL QQG 4.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.96," r4= "5.46," igr1= "848," "849," igr2= "864," "865," "866," "868," "869," "870," &end # # 3031 VAL HA 3031 VAL QG1 3.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "1973," "-1," r1= "1.30," r2= "1.80," r3= "3.92," r4= "4.42," igr2= "1977," "1978," "1979," &end # # 3029 ASN HA 3031 VAL QQG 6.4 (# ) &rst ixpk= "0," nxpk= "0," iat= "1945," "-1," r1= "1.30," r2= "1.80," r3= "6.40," r4= "6.90," igr2= "1977," "1978," "1979," "1981," "1982," "1983," &end # # 3031 VAL QQG 3032 LEU HA 5.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1989," r1= "1.30," r2= "1.80," r3= "5.41," r4= "5.91," igr1= "1977," "1978," "1979," "1981," "1982," "1983," &end # # 3031 VAL HA 3031 VAL QG2 4.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "1973," "-1," r1= "1.30," r2= "1.80," r3= "4.13," r4= "4.63," igr2= "1981," "1982," "1983," &end # # 1803 VAL HA 1803 VAL QG1 4.71 (# ) &rst ixpk= "0," nxpk= "0," iat= "623," "-1," r1= "1.30," r2= "1.80," r3= "4.71," r4= "5.21," igr2= "627," "628," "629," &end # # 1800 LYS+ HB- 1803 VAL QG1 6.15 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.15," r4= "6.65," igr1= "563," "564," igr2= "627," "628," "629," &end # # 1803 VAL QG1 1807 LYS+ HB+ 6.59 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.59," r4= "7.09," igr1= "627," "628," "629," igr2= "689," "690," &end # # 1783 ALA QB 1803 VAL QQG 7.37 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.37," r4= "7.87," igr1= "322," "323," "324," igr2= "627," "628," "629," "631," "632," "633," &end # # 1805 HIS HD2 1823 LEU QQD 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "667," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "932," "933," "934," "936," "937," "938," &end # # 1799 MET HA 1802 VAL QG1 4.8 (# ) &rst ixpk= "0," nxpk= "0," iat= "544," "-1," r1= "1.30," r2= "1.80," r3= "4.80," r4= "5.30," igr2= "611," "612," "613," &end # # 1802 VAL QG1 1823 LEU HG 4.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "930," r1= "1.30," r2= "1.80," r3= "4.88," r4= "5.38," igr1= "611," "612," "613," &end # # 1802 VAL QG1 1823 LEU HB- 4.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.50," r4= "5.00," igr1= "611," "612," "613," igr2= "927," "928," &end # # 1802 VAL QG1 1805 HIS HD2 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "667," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "611," "612," "613," &end # # 1802 VAL QG2 3054 PHE HA 5.58 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2324," r1= "1.30," r2= "1.80," r3= "5.58," r4= "6.08," igr1= "615," "616," "617," &end # # 1802 VAL QG2 3054 PHE HB+ 5.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.61," r4= "6.11," igr1= "615," "616," "617," igr2= "2326," "2327," &end # # 1803 VAL QG2 1807 LYS+ QE 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= "698," "699," &end # # 1802 VAL QG2 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= "615," "616," "617," igr2= "2302," "2303," &end # # 1784 CYS HB- 1803 VAL QG2 6.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.52," r4= "7.02," igr1= "332," "333," igr2= "631," "632," "633," &end # # 1803 VAL QG2 1804 GLN QG 6.09 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.09," r4= "6.59," igr1= "631," "632," "633," igr2= "644," "645," &end # # 1802 VAL QG1 1823 LEU QQD 4.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.66," r4= "5.16," igr1= "611," "612," "613," igr2= "932," "933," "934," "936," "937," "938," &end # # 3010 VAL HA 3010 VAL QG1 3.9 (# ) &rst ixpk= "0," nxpk= "0," iat= "1635," "-1," r1= "1.30," r2= "1.80," r3= "3.90," r4= "4.40," igr2= "1639," "1640," "1641," &end # # 3008 PRO HD- 3010 VAL QG1 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1609," "1610," igr2= "1639," "1640," "1641," &end # # 3009 SER QB 3010 VAL QG1 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "1626," "1627," igr2= "1639," "1640," "1641," &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 3.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.23," r4= "3.73," igr1= "48," "49," igr2= "51," "52," &end # # 1767 GLU- QG 1771 LEU QQD 5.78 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.78," r4= "6.28," igr1= "51," "52," igr2= "127," "128," "129," "131," "132," "133," &end # # 1767 GLU- QG 1771 LEU HG 6.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "125," r1= "1.30," r2= "1.80," r3= "6.14," r4= "6.64," igr1= "51," "52," &end # # 1767 GLU- HB+ 1767 GLU- QG 3.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.23," r4= "3.73," igr1= "48," "49," igr2= "51," "52," &end # # 1767 GLU- HA 1767 GLU- QG 3.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "46," "-1," r1= "1.30," r2= "1.80," r3= "3.88," r4= "4.38," igr2= "51," "52," &end # # 1781 VAL QG1 1785 GLN HG- 4.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.84," r4= "5.34," igr1= "291," "292," "293," igr2= "346," "347," &end # # 1785 GLN QB 1785 GLN HG- 3.39 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.39," r4= "3.89," igr1= "343," "344," igr2= "346," "347," &end # # 1785 GLN HA 1785 GLN QB 3.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "341," "-1," r1= "1.30," r2= "1.80," r3= "3.30," r4= "3.80," igr2= "343," "344," &end # # 1785 GLN HA 1785 GLN HG- 4.03 (# ) &rst ixpk= "0," nxpk= "0," iat= "341," "-1," r1= "1.30," r2= "1.80," r3= "4.03," r4= "4.53," igr2= "346," "347," &end # # 1785 GLN HA 1787 ARG+ HG+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "341," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "373," "374," &end # # 1807 LYS+ HB+ 1808 GLY HA+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "689," "690," igr2= "709," "710," &end # # 1807 LYS+ HB+ 1808 GLY HA- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "689," "690," igr2= "709," "710," &end # # 3059 GLY HA+ 3060 PRO QG 5.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.12," r4= "5.62," igr1= "2399," "2400," igr2= "2408," "2409," &end # # 3059 GLY HA- 3060 PRO QG 5.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.12," r4= "5.62," igr1= "2399," "2400," igr2= "2408," "2409," &end # # 1831 ALA HA 1834 CYS- HB+ 3.22 (# ) &rst ixpk= "0," nxpk= "0," iat= "1052," "-1," r1= "1.30," r2= "1.80," r3= "3.22," r4= "3.72," igr2= "1105," "1104," &end # # 1830 HIS HD2 1834 CYS- HB+ 5.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "1046," "-1," r1= "1.30," r2= "1.80," r3= "5.20," r4= "5.70," igr2= "1105," "1104," &end # # 1830 HIS HD2 1834 CYS- HB- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1046," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "1105," "1104," &end # # 1833 HIS HA 1834 CYS- HA 5.27 (# ) &rst ixpk= "0," nxpk= "0," iat= "1084," "1102," r1= "1.30," r2= "1.80," r3= "5.27," r4= "5.77," &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 # # 1839 CYS- HA 1840 PRO HD- 3.58 (# ) &rst ixpk= "0," nxpk= "0," iat= "1180," "-1," r1= "1.30," r2= "1.80," r3= "3.58," r4= "4.08," igr2= "1189," "1190," &end # # 1836 GLU- HB+ 1839 CYS- HA 4.24 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1180," r1= "1.30," r2= "1.80," r3= "4.24," r4= "4.74," igr1= "1131," "1132," &end # # 1839 CYS- QB 1841 VAL HB 5.56 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1206," r1= "1.30," r2= "1.80," r3= "5.56," r4= "6.06," igr1= "1183," "1182," &end # # 1839 CYS- 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= "1183," "1182," igr2= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1828 CYS QB 3023 TRP HZ3 5.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1847," r1= "1.30," r2= "1.80," r3= "5.19," r4= "5.69," igr1= "1005," "1006," &end # # 1828 CYS QB 3023 TRP HE3 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1849," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1005," "1006," &end # # 1776 CYS HB+ 3054 PHE QE 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "212," "213," igr2= "2332," "2336," &end # # 1828 CYS QB 3026 LEU QQD 5.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.14," r4= "5.64," igr1= "1005," "1006," igr2= "1904," "1905," "1906," "1908," "1909," "1910," &end # # 1773 ILE QG2 1776 CYS HB+ 5.22 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.22," r4= "5.72," igr1= "154," "155," "156," igr2= "212," "213," &end # # 1776 CYS HB+ 1826 LEU QQD 3.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.84," r4= "4.34," igr1= "212," "213," igr2= "980," "981," "982," "984," "985," "986," &end # # 1776 CYS HB+ 1826 LEU HG 4.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "978," r1= "1.30," r2= "1.80," r3= "4.88," r4= "5.38," igr1= "212," "213," &end # # 1828 CYS QB 3044 MET QE 6.63 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.63," r4= "7.13," igr1= "1005," "1006," igr2= "2173," "2174," "2175," &end # # 1828 CYS HA 1847 ILE QG2 4.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "1003," "-1," r1= "1.30," r2= "1.80," r3= "4.53," r4= "5.03," igr2= "1301," "1302," "1303," &end # # 1844 CYSZ HA 1847 ILE QD1 4.1 (# ) &rst ixpk= "0," nxpk= "0," iat= "1254," "-1," r1= "1.30," r2= "1.80," r3= "4.10," r4= "4.60," igr2= "1308," "1309," "1310," &end # # 1827 CYS HA 1841 VAL QG1 4.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "992," "-1," r1= "1.30," r2= "1.80," r3= "4.98," r4= "5.48," igr2= "1208," "1209," "1210," &end # # 1841 VAL QG1 1844 CYSZ HA 5.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1254," r1= "1.30," r2= "1.80," r3= "5.33," r4= "5.83," igr1= "1208," "1209," "1210," &end # # 1770 ARG+ HA 1770 ARG+ QD 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "96," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr2= "104," "105," &end # # 1797 GLN HA 1800 LYS+ HB- 3.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "505," "-1," r1= "1.30," r2= "1.80," r3= "3.53," r4= "4.03," igr2= "563," "564," &end # # 1770 ARG+ HA 1770 ARG+ HG- 3.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "96," "-1," r1= "1.30," r2= "1.80," r3= "3.98," r4= "4.48," igr2= "101," "102," &end # # 1770 ARG+ HA 1773 ILE QG2 5.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "96," "-1," r1= "1.30," r2= "1.80," r3= "5.32," r4= "5.82," igr2= "154," "155," "156," &end # # 1770 ARG+ HA 1770 ARG+ HG+ 4.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "96," "-1," r1= "1.30," r2= "1.80," r3= "4.01," r4= "4.51," igr2= "101," "102," &end # # 3022 LEU HA 3025 LEU HG 4.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "1813," "1883," r1= "1.30," r2= "1.80," r3= "4.66," r4= "5.16," &end # # 1811 ARG+ QD 1817 CYS- HA 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "836," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "756," "757," &end # # 1811 ARG+ HA 1811 ARG+ QD 4.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "748," "-1," r1= "1.30," r2= "1.80," r3= "4.87," r4= "5.37," igr2= "756," "757," &end # # 1811 ARG+ QD 1817 CYS- QB 5.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.32," r4= "5.82," igr1= "756," "757," igr2= "839," "838," &end # # 1811 ARG+ QG 1817 CYS- QB 6.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.93," r4= "7.43," igr1= "753," "754," igr2= "839," "838," &end # # 1811 ARG+ HB- 1811 ARG+ QD 4.56 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.56," r4= "5.06," igr1= "750," "751," igr2= "756," "757," &end # # 1811 ARG+ HB+ 1811 ARG+ QD 4.56 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.56," r4= "5.06," igr1= "750," "751," igr2= "756," "757," &end # # 1811 ARG+ HA 1814 ASN HB- 4.04 (# ) &rst ixpk= "0," nxpk= "0," iat= "748," "-1," r1= "1.30," r2= "1.80," r3= "4.04," r4= "4.54," igr2= "810," "811," &end # # 1852 ARG+ HA 1854 GLN QG 6.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "1397," "-1," r1= "1.30," r2= "1.80," r3= "6.18," r4= "6.68," igr2= "1443," "1444," &end # # 1849 HIS HA 1852 ARG+ QD 4.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "1338," "-1," r1= "1.30," r2= "1.80," r3= "4.88," r4= "5.38," igr2= "1405," "1406," &end # # 1852 ARG+ HA 1852 ARG+ QD 4.76 (# ) &rst ixpk= "0," nxpk= "0," iat= "1397," "-1," r1= "1.30," r2= "1.80," r3= "4.76," r4= "5.26," igr2= "1405," "1406," &end # # 1852 ARG+ QB 1852 ARG+ QD 4.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.13," r4= "4.63," igr1= "1399," "1400," igr2= "1405," "1406," &end # # 1801 ARG+ HA 1801 ARG+ QG 3.59 (# ) &rst ixpk= "0," nxpk= "0," iat= "583," "-1," r1= "1.30," r2= "1.80," r3= "3.59," r4= "4.09," igr2= "588," "589," &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 # # 1775 ARG+ HA 1775 ARG+ QG 3.4 (# ) &rst ixpk= "0," nxpk= "0," iat= "186," "-1," r1= "1.30," r2= "1.80," r3= "3.40," r4= "3.90," igr2= "191," "192," &end # # 1801 ARG+ HA 1801 ARG+ QB 3.11 (# ) &rst ixpk= "0," nxpk= "0," iat= "583," "-1," r1= "1.30," r2= "1.80," r3= "3.11," r4= "3.61," igr2= "585," "586," &end # # 1775 ARG+ HA 1775 ARG+ QD 4.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "186," "-1," r1= "1.30," r2= "1.80," r3= "4.98," r4= "5.48," igr2= "194," "195," &end # # 1774 GLN HA 1774 GLN HG- 3.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "169," "-1," r1= "1.30," r2= "1.80," r3= "3.79," r4= "4.29," igr2= "174," "175," &end # # 1774 GLN HA 1777 ILE HB 3.65 (# ) &rst ixpk= "0," nxpk= "0," iat= "169," "223," r1= "1.30," r2= "1.80," r3= "3.65," r4= "4.15," &end # # 1766 GLN HA 1769 ARG+ QB 4.59 (# ) &rst ixpk= "0," nxpk= "0," iat= "29," "-1," r1= "1.30," r2= "1.80," r3= "4.59," r4= "5.09," igr2= "74," "75," &end # # 1775 ARG+ HA 1775 ARG+ QB 3.29 (# ) &rst ixpk= "0," nxpk= "0," iat= "186," "-1," r1= "1.30," r2= "1.80," r3= "3.29," r4= "3.79," igr2= "188," "189," &end # # 1797 GLN QG 1801 ARG+ QG 6.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.72," r4= "7.22," igr1= "510," "511," igr2= "588," "589," &end # # 1771 LEU QQD 1775 ARG+ QD 6.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.20," r4= "6.70," igr1= "127," "128," "129," "131," "132," "133," igr2= "194," "195," &end # # 1848 LYS+ HA 1849 HIS QB 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "1316," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "1340," "1341," &end # # 1848 LYS+ HA 1848 LYS+ HG+ 3.58 (# ) &rst ixpk= "0," nxpk= "0," iat= "1316," "-1," r1= "1.30," r2= "1.80," r3= "3.58," r4= "4.08," igr2= "1321," "1322," &end # # 1831 ALA QB 1848 LYS+ HA 4.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1316," r1= "1.30," r2= "1.80," r3= "4.30," r4= "4.80," igr1= "1054," "1055," "1056," &end # # 1848 LYS+ HA 1851 LEU HB- 3.91 (# ) &rst ixpk= "0," nxpk= "0," iat= "1316," "-1," r1= "1.30," r2= "1.80," r3= "3.91," r4= "4.41," igr2= "1380," "1381," &end # # 1848 LYS+ HA 1848 LYS+ HG- 3.58 (# ) &rst ixpk= "0," nxpk= "0," iat= "1316," "-1," r1= "1.30," r2= "1.80," r3= "3.58," r4= "4.08," igr2= "1321," "1322," &end # # 1847 ILE QG2 1848 LYS+ HA 5.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1316," r1= "1.30," r2= "1.80," r3= "5.92," r4= "6.42," igr1= "1301," "1302," "1303," &end # # 1800 LYS+ HA 1803 VAL QG1 4.06 (# ) &rst ixpk= "0," nxpk= "0," iat= "561," "-1," r1= "1.30," r2= "1.80," r3= "4.06," r4= "4.56," igr2= "627," "628," "629," &end # # 1800 LYS+ HA 1800 LYS+ QD 4.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "561," "-1," r1= "1.30," r2= "1.80," r3= "4.86," r4= "5.36," igr2= "569," "570," &end # # 1800 LYS+ HA 1800 LYS+ QE 5.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "561," "-1," r1= "1.30," r2= "1.80," r3= "5.87," r4= "6.37," igr2= "572," "573," &end # # 1848 LYS+ HG- 1848 LYS+ HE- 4.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.23," r4= "4.73," igr1= "1321," "1322," igr2= "1327," "1328," &end # # 1848 LYS+ HG+ 1848 LYS+ HE- 4.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.23," r4= "4.73," igr1= "1321," "1322," igr2= "1327," "1328," &end # # 1848 LYS+ HG+ 1848 LYS+ HE+ 4.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.20," r4= "4.70," igr1= "1321," "1322," igr2= "1327," "1328," &end # # 1783 ALA QB 1800 LYS+ HG- 3.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.83," r4= "4.33," igr1= "322," "323," "324," igr2= "566," "567," &end # # 1848 LYS+ HA 1848 LYS+ HE+ 5.31 (# ) &rst ixpk= "0," nxpk= "0," iat= "1316," "-1," r1= "1.30," r2= "1.80," r3= "5.31," r4= "5.81," igr2= "1327," "1328," &end # # 1848 LYS+ HA 1848 LYS+ HE- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1316," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "1327," "1328," &end # # 1834 CYS- QB 1848 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= "1105," "1104," igr2= "1327," "1328," &end # # 1848 LYS+ HG- 1848 LYS+ HE+ 4.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.20," r4= "4.70," igr1= "1321," "1322," igr2= "1327," "1328," &end # # 1783 ALA HA 1800 LYS+ HE+ 3.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "320," "-1," r1= "1.30," r2= "1.80," r3= "3.99," r4= "4.49," igr2= "572," "573," &end # # 1783 ALA HA 1800 LYS+ HE- 4.48 (# ) &rst ixpk= "0," nxpk= "0," iat= "320," "-1," r1= "1.30," r2= "1.80," r3= "4.48," r4= "4.98," igr2= "572," "573," &end # # 1797 GLN HA 1800 LYS+ QD 3.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "505," "-1," r1= "1.30," r2= "1.80," r3= "3.96," r4= "4.46," igr2= "569," "570," &end # # 1786 CYS- HB+ 1800 LYS+ QD 5.06 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.06," r4= "5.56," igr1= "361," "360," igr2= "569," "570," &end # # 1797 GLN HG- 1800 LYS+ QD 5.44 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.44," r4= "5.94," igr1= "510," "511," igr2= "569," "570," &end # # 1848 LYS+ HA 1848 LYS+ HD+ 5.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "1316," "-1," r1= "1.30," r2= "1.80," r3= "5.12," r4= "5.62," igr2= "1324," "1325," &end # # 1848 LYS+ HA 1848 LYS+ HD- 5.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "1316," "-1," r1= "1.30," r2= "1.80," r3= "5.12," r4= "5.62," igr2= "1324," "1325," &end # # 1800 LYS+ QD 1800 LYS+ HE+ 3.36 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.36," r4= "3.86," igr1= "569," "570," igr2= "572," "573," &end # # 1845 LEU QQD 1848 LYS+ HD+ 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1271," "1272," "1273," "1275," "1276," "1277," igr2= "1324," "1325," &end # # 1845 LEU QQD 1848 LYS+ HD- 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1271," "1272," "1273," "1275," "1276," "1277," igr2= "1324," "1325," &end # # 1800 LYS+ HB+ 1800 LYS+ HE+ 4.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.96," r4= "5.46," igr1= "563," "564," igr2= "572," "573," &end # # 1800 LYS+ HB+ 1800 LYS+ HE- 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+ HB- 1800 LYS+ HE- 5.11 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.11," r4= "5.61," 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+ QD 3.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.79," r4= "4.29," igr1= "563," "564," igr2= "569," "570," &end # # 1810 LYS+ HB- 1810 LYS+ QD 4.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.42," r4= "4.92," igr1= "728," "729," igr2= "734," "735," &end # # 1848 LYS+ HB+ 1848 LYS+ HE+ 4.71 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.71," r4= "5.21," igr1= "1318," "1319," igr2= "1327," "1328," &end # # 1812 LYS+ HA 1812 LYS+ QD 5.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "772," "-1," r1= "1.30," r2= "1.80," r3= "5.12," r4= "5.62," igr2= "780," "781," &end # # 1810 LYS+ HA 1810 LYS+ HG- 3.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "726," "-1," r1= "1.30," r2= "1.80," r3= "3.92," r4= "4.42," igr2= "731," "732," &end # # 1810 LYS+ HB- 1810 LYS+ QE 5.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.43," r4= "5.93," igr1= "728," "729," igr2= "737," "738," &end # # 1810 LYS+ HB+ 1810 LYS+ QE 5.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.43," r4= "5.93," igr1= "728," "729," igr2= "737," "738," &end # # 1810 LYS+ HB+ 1810 LYS+ QD 4.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.42," r4= "4.92," igr1= "728," "729," igr2= "734," "735," &end # # 1810 LYS+ HA 1810 LYS+ HG+ 3.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "726," "-1," r1= "1.30," r2= "1.80," r3= "3.92," r4= "4.42," igr2= "731," "732," &end # # 1810 LYS+ HG+ 1810 LYS+ QE 4.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.73," r4= "5.23," igr1= "731," "732," igr2= "737," "738," &end # # 1798 LYS+ HA 1798 LYS+ HG- 3.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "522," "-1," r1= "1.30," r2= "1.80," r3= "3.96," r4= "4.46," igr2= "527," "528," &end # # 1798 LYS+ HA 1798 LYS+ HG+ 3.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "522," "-1," r1= "1.30," r2= "1.80," r3= "3.96," r4= "4.46," igr2= "527," "528," &end # # 1810 LYS+ HA 1810 LYS+ QE 4.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "726," "-1," r1= "1.30," r2= "1.80," r3= "4.92," r4= "5.42," igr2= "737," "738," &end # # 1798 LYS+ HA 3054 PHE HB+ 4.62 (# ) &rst ixpk= "0," nxpk= "0," iat= "522," "-1," r1= "1.30," r2= "1.80," r3= "4.62," r4= "5.12," igr2= "2326," "2327," &end # # 1810 LYS+ HA 1810 LYS+ QD 3.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "726," "-1," r1= "1.30," r2= "1.80," r3= "3.83," r4= "4.33," igr2= "734," "735," &end # # 1810 LYS+ QD 1810 LYS+ QE 3.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.83," r4= "4.33," igr1= "734," "735," igr2= "737," "738," &end # # 1798 LYS+ HA 1798 LYS+ QD 4.94 (# ) &rst ixpk= "0," nxpk= "0," iat= "522," "-1," r1= "1.30," r2= "1.80," r3= "4.94," r4= "5.44," igr2= "530," "531," &end # # 1798 LYS+ HA 1798 LYS+ QE 5.1 (# ) &rst ixpk= "0," nxpk= "0," iat= "522," "-1," r1= "1.30," r2= "1.80," r3= "5.10," r4= "5.60," igr2= "533," "534," &end # # 1795 SER HA 1798 LYS+ HB+ 4.67 (# ) &rst ixpk= "0," nxpk= "0," iat= "484," "-1," r1= "1.30," r2= "1.80," r3= "4.67," r4= "5.17," igr2= "524," "525," &end # # 1795 SER HA 1798 LYS+ HB- 4.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "484," "-1," r1= "1.30," r2= "1.80," r3= "4.38," r4= "4.88," igr2= "524," "525," &end # # 1797 GLN HA 1797 GLN HG- 3.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "505," "-1," r1= "1.30," r2= "1.80," r3= "3.32," r4= "3.82," igr2= "510," "511," &end # # 1797 GLN HA 1797 GLN HB- 3.03 (# ) &rst ixpk= "0," nxpk= "0," iat= "505," "-1," r1= "1.30," r2= "1.80," r3= "3.03," r4= "3.53," igr2= "507," "508," &end # # 1797 GLN HA 1801 ARG+ QG 4.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "505," "-1," r1= "1.30," r2= "1.80," r3= "4.70," r4= "5.20," igr2= "588," "589," &end # # 1797 GLN HA 1797 GLN HG+ 3.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "505," "-1," r1= "1.30," r2= "1.80," r3= "3.41," r4= "3.91," igr2= "510," "511," &end # # 1796 CYSZ HB+ 1797 GLN HG+ 4.75 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.75," r4= "5.25," igr1= "498," "497," igr2= "510," "511," &end # # 1796 CYSZ HB+ 1797 GLN HG- 4.27 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.27," r4= "4.77," igr1= "498," "497," igr2= "510," "511," &end # # 1797 GLN HG+ 1800 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= "510," "511," igr2= "569," "570," &end # # 1797 GLN HB+ 1801 ARG+ QD 5.4 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.40," r4= "5.90," igr1= "507," "508," igr2= "591," "592," &end # # 1766 GLN QB 1770 ARG+ QD 6.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.64," r4= "7.14," igr1= "31," "32," igr2= "104," "105," &end # # 1796 CYSZ HB+ 1797 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= "498," "497," igr2= "507," "508," &end # # 1797 GLN HB+ 1801 ARG+ QG 5.04 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.04," r4= "5.54," igr1= "507," "508," igr2= "588," "589," &end # # 1797 GLN HB- 1801 ARG+ QG 5.48 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.48," r4= "5.98," igr1= "507," "508," igr2= "588," "589," &end # # 1766 GLN HB+ 1766 GLN HG+ 3.05 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.05," r4= "3.55," igr1= "31," "32," igr2= "34," "35," &end # # 1778 GLN HA 1778 GLN HG- 3.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "240," "-1," r1= "1.30," r2= "1.80," r3= "3.32," r4= "3.82," igr2= "245," "246," &end # # 1778 GLN HA 1781 VAL HB 2.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "240," "289," r1= "1.30," r2= "1.80," r3= "2.85," r4= "3.35," &end # # 1798 LYS+ HA 1802 VAL QG2 4.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "522," "-1," r1= "1.30," r2= "1.80," r3= "4.50," r4= "5.00," igr2= "615," "616," "617," &end # # 1778 GLN HA 1778 GLN HG+ 4.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "240," "-1," r1= "1.30," r2= "1.80," r3= "4.17," r4= "4.67," igr2= "245," "246," &end # # 1777 ILE QG2 1778 GLN 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= "242," "243," &end # # 1777 ILE QG2 1778 GLN 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= "242," "243," &end # # 1853 GLN HA 1853 GLN QG 3.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "1421," "-1," r1= "1.30," r2= "1.80," r3= "3.88," r4= "4.38," igr2= "1426," "1427," &end # # 1854 GLN HA 1854 GLN QG 3.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "1438," "-1," r1= "1.30," r2= "1.80," r3= "3.84," r4= "4.34," igr2= "1443," "1444," &end # # 3035 LEU QB 3038 GLN QG 6.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.93," r4= "7.43," igr1= "2035," "2036," igr2= "2082," "2083," &end # # 3035 LEU QQD 3038 GLN QG 7.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.01," r4= "7.51," igr1= "2040," "2041," "2042," "2044," "2045," "2046," igr2= "2082," "2083," &end # # 3005 GLN HA 3005 GLN QG 4.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "1570," "-1," r1= "1.30," r2= "1.80," r3= "4.18," r4= "4.68," igr2= "1575," "1576," &end # # 3038 GLN HA 3038 GLN QG 4.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "2077," "-1," r1= "1.30," r2= "1.80," r3= "4.34," r4= "4.84," igr2= "2082," "2083," &end # # 1851 LEU HA 1851 LEU QQD 3.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "1378," "-1," r1= "1.30," r2= "1.80," r3= "3.64," r4= "4.14," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1771 LEU HA 1771 LEU QQD 3.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "120," "-1," r1= "1.30," r2= "1.80," r3= "3.64," r4= "4.14," igr2= "127," "128," "129," "131," "132," "133," &end # # 1771 LEU HA 1774 GLN HG+ 4.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "120," "-1," r1= "1.30," r2= "1.80," r3= "4.51," r4= "5.01," igr2= "174," "175," &end # # 1848 LYS+ HA 1851 LEU HB+ 4.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "1316," "-1," r1= "1.30," r2= "1.80," r3= "4.79," r4= "5.29," igr2= "1380," "1381," &end # # 1851 LEU HB+ 1851 LEU QQD 4.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.14," r4= "4.64," igr1= "1380," "1381," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1851 LEU HB- 1851 LEU QQD 3.45 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.45," r4= "3.95," igr1= "1380," "1381," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 3023 TRP HE3 3026 LEU QQD 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "1849," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "1904," "1905," "1906," "1908," "1909," "1910," &end # # 3023 TRP HZ3 3026 LEU QQD 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "1847," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "1904," "1905," "1906," "1908," "1909," "1910," &end # # 3023 TRP HA 3026 LEU QQD 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "1832," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "1904," "1905," "1906," "1908," "1909," "1910," &end # # 1824 ILE QG1 3026 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= "952," "953," igr2= "1904," "1905," "1906," "1908," "1909," "1910," &end # # 3026 LEU HB+ 3026 LEU QQD 4.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.46," r4= "4.96," igr1= "1899," "1900," igr2= "1904," "1905," "1906," "1908," "1909," "1910," &end # # 3023 TRP HZ3 3026 LEU QQD 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "1847," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "1904," "1905," "1906," "1908," "1909," "1910," &end # # 3026 LEU HA 3026 LEU QQD 4.05 (# ) &rst ixpk= "0," nxpk= "0," iat= "1897," "-1," r1= "1.30," r2= "1.80," r3= "4.05," r4= "4.55," igr2= "1904," "1905," "1906," "1908," "1909," "1910," &end # # 1825 ALA HA 3026 LEU QQD 4.48 (# ) &rst ixpk= "0," nxpk= "0," iat= "963," "-1," r1= "1.30," r2= "1.80," r3= "4.48," r4= "4.98," igr2= "1904," "1905," "1906," "1908," "1909," "1910," &end # # 3026 LEU QQD 3027 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= "1904," "1905," "1906," "1908," "1909," "1910," igr2= "1915," "1916," &end # # 1828 CYS QB 3026 LEU QQD 5.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.86," r4= "6.36," igr1= "1005," "1006," igr2= "1904," "1905," "1906," "1908," "1909," "1910," &end # # 1825 ALA QB 3026 LEU QQD 5.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.16," r4= "5.66," igr1= "965," "966," "967," igr2= "1904," "1905," "1906," "1908," "1909," "1910," &end # # 1824 ILE QG2 3026 LEU QQD 5.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.41," r4= "5.91," igr1= "948," "949," "950," igr2= "1904," "1905," "1906," "1908," "1909," "1910," &end # # 3026 LEU HB+ 3026 LEU QQD 5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.00," r4= "5.50," igr1= "1899," "1900," igr2= "1904," "1905," "1906," "1908," "1909," "1910," &end # # 1825 ALA QB 1826 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= "965," "966," "967," igr2= "980," "981," "982," "984," "985," "986," &end # # 1825 ALA QB 3045 LEU QQD 5.68 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.68," r4= "6.18," igr1= "965," "966," "967," igr2= "2188," "2189," "2190," "2192," "2193," "2194," &end # # 1825 ALA HA 3045 LEU QQD 6.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "963," "-1," r1= "1.30," r2= "1.80," r3= "6.66," r4= "7.16," igr2= "2188," "2189," "2190," "2192," "2193," "2194," &end # # 3003 GLU- HA 3004 PRO HD+ 3.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "1541," "-1," r1= "1.30," r2= "1.80," r3= "3.55," r4= "4.05," igr2= "1555," "1556," &end # # 3003 GLU- HA 3004 PRO HD- 3.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "1541," "-1," r1= "1.30," r2= "1.80," r3= "3.55," r4= "4.05," igr2= "1555," "1556," &end # # 3003 GLU- QG 3004 PRO HD- 5.29 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.29," r4= "5.79," igr1= "1546," "1547," igr2= "1555," "1556," &end # # 3003 GLU- QG 3004 PRO HD+ 5.29 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.29," r4= "5.79," igr1= "1546," "1547," igr2= "1555," "1556," &end # # 3003 GLU- HA 3003 GLU- QG 3.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "1541," "-1," r1= "1.30," r2= "1.80," r3= "3.92," r4= "4.42," igr2= "1546," "1547," &end # # 3003 GLU- HB- 3003 GLU- QG 3.36 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.36," r4= "3.86," igr1= "1543," "1544," igr2= "1546," "1547," &end # # 3035 LEU HA 3036 PRO HD+ 2.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "2033," "-1," r1= "1.30," r2= "1.80," r3= "2.99," r4= "3.49," igr2= "2051," "2052," &end # # 3035 LEU HA 3036 PRO HD- 2.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "2033," "-1," r1= "1.30," r2= "1.80," r3= "2.99," r4= "3.49," igr2= "2051," "2052," &end # # 3035 LEU HA 3036 PRO QG 4.89 (# ) &rst ixpk= "0," nxpk= "0," iat= "2033," "-1," r1= "1.30," r2= "1.80," r3= "4.89," r4= "5.39," igr2= "2054," "2055," &end # # 3035 LEU HA 3035 LEU QB 3.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "2033," "-1," r1= "1.30," r2= "1.80," r3= "3.34," r4= "3.84," igr2= "2035," "2036," &end # # 3035 LEU HA 3035 LEU QQD 3.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "2033," "-1," r1= "1.30," r2= "1.80," r3= "3.99," r4= "4.49," igr2= "2040," "2041," "2042," "2044," "2045," "2046," &end # # 1779 SER HB- 1780 LEU HB- 5.24 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.24," r4= "5.74," igr1= "259," "260," igr2= "270," "271," &end # # 3035 LEU QB 3035 LEU QQD 4.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.51," r4= "5.01," igr1= "2035," "2036," igr2= "2040," "2041," "2042," "2044," "2045," "2046," &end # # 3035 LEU HG 3036 PRO HD- 5.1 (# ) &rst ixpk= "0," nxpk= "0," iat= "2038," "-1," r1= "1.30," r2= "1.80," r3= "5.10," r4= "5.60," igr2= "2051," "2052," &end # # 3035 LEU HG 3036 PRO HD+ 5.1 (# ) &rst ixpk= "0," nxpk= "0," iat= "2038," "-1," r1= "1.30," r2= "1.80," r3= "5.10," r4= "5.60," igr2= "2051," "2052," &end # # 3035 LEU HA 3035 LEU QQD 5.65 (# ) &rst ixpk= "0," nxpk= "0," iat= "2033," "-1," r1= "1.30," r2= "1.80," r3= "5.65," r4= "6.15," igr2= "2040," "2041," "2042," "2044," "2045," "2046," &end # # 3026 LEU HA 3026 LEU QQD 6.09 (# ) &rst ixpk= "0," nxpk= "0," iat= "1897," "-1," r1= "1.30," r2= "1.80," r3= "6.09," r4= "6.59," igr2= "1904," "1905," "1906," "1908," "1909," "1910," &end # # 3026 LEU HA 3026 LEU HG 4.06 (# ) &rst ixpk= "0," nxpk= "0," iat= "1897," "1902," r1= "1.30," r2= "1.80," r3= "4.06," r4= "4.56," &end # # 3026 LEU QQD 3027 PRO HD+ 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1904," "1905," "1906," "1908," "1909," "1910," igr2= "1915," "1916," &end # # 3026 LEU QQD 3027 PRO HD- 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1904," "1905," "1906," "1908," "1909," "1910," igr2= "1915," "1916," &end # # 3026 LEU QQD 3027 PRO HD- 4.82 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.82," r4= "5.32," igr1= "1904," "1905," "1906," "1908," "1909," "1910," igr2= "1915," "1916," &end # # 3026 LEU HA 3027 PRO HD- 3.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "1897," "-1," r1= "1.30," r2= "1.80," r3= "3.23," r4= "3.73," igr2= "1915," "1916," &end # # 3026 LEU HA 3027 PRO HD+ 3.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "1897," "-1," r1= "1.30," r2= "1.80," r3= "3.23," r4= "3.73," igr2= "1915," "1916," &end # # 1851 LEU QQD 3023 TRP HH2 5.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1845," r1= "1.30," r2= "1.80," r3= "5.86," r4= "6.36," igr1= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1828 CYS HA 1851 LEU QQD 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "1003," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1851 LEU HA 1851 LEU QQD 4.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "1378," "-1," r1= "1.30," r2= "1.80," r3= "4.07," r4= "4.57," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1848 LYS+ HA 1851 LEU QQD 4.06 (# ) &rst ixpk= "0," nxpk= "0," iat= "1316," "-1," r1= "1.30," r2= "1.80," r3= "4.06," r4= "4.56," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1828 CYS QB 1851 LEU QQD 6.09 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.09," r4= "6.59," igr1= "1005," "1006," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1847 ILE HA 1851 LEU QQD 6.03 (# ) &rst ixpk= "0," nxpk= "0," iat= "1297," "-1," r1= "1.30," r2= "1.80," r3= "6.03," r4= "6.53," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1832 LYS+ QE 1851 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= "1073," "1074," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 3025 LEU HA 3025 LEU QQD 4.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "1878," "-1," r1= "1.30," r2= "1.80," r3= "4.74," r4= "5.24," igr2= "1885," "1886," "1887," "1889," "1890," "1891," &end # # 3021 ASP- HB+ 3025 LEU QQD 6.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.55," r4= "7.05," igr1= "1803," "1804," igr2= "1885," "1886," "1887," "1889," "1890," "1891," &end # # 3021 ASP- HB- 3025 LEU QQD 6.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.18," r4= "6.68," igr1= "1803," "1804," igr2= "1885," "1886," "1887," "1889," "1890," "1891," &end # # 3025 LEU HB+ 3025 LEU QQD 3.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.43," r4= "3.93," igr1= "1880," "1881," igr2= "1885," "1886," "1887," "1889," "1890," "1891," &end # # 1824 ILE QG2 3025 LEU QQD 6.06 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.06," r4= "6.56," igr1= "948," "949," "950," igr2= "1885," "1886," "1887," "1889," "1890," "1891," &end # # 1793 LEU QQD 1794 PRO HG+ 6.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.51," r4= "7.01," igr1= "458," "459," "460," "462," "463," "464," igr2= "472," "473," &end # # 1793 LEU QQD 1794 PRO HG- 6.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.51," r4= "7.01," igr1= "458," "459," "460," "462," "463," "464," igr2= "472," "473," &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 # # 1780 LEU QQD 1842 PRO HG+ 5.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.85," r4= "6.35," igr1= "275," "276," "277," "279," "280," "281," igr2= "1222," "1223," &end # # 1842 PRO QB 1843 PHE QD 6.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.60," r4= "7.10," igr1= "1225," "1226," igr2= "1240," "1248," &end # # 1803 VAL QG2 1842 PRO QB 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= "1225," "1226," &end # # 1844 CYSZ HA 1847 ILE HB 3.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "1254," "1299," r1= "1.30," r2= "1.80," r3= "3.66," r4= "4.16," &end # # 1830 HIS HD2 1844 CYSZ HA 4.39 (# ) &rst ixpk= "0," nxpk= "0," iat= "1046," "1254," r1= "1.30," r2= "1.80," r3= "4.39," r4= "4.89," &end # # 3050 ILE QD1 3053 TRP HE3 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2317," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "2260," "2261," "2262," &end # # 3050 ILE QD1 3053 TRP HZ2 6.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2311," r1= "1.30," r2= "1.80," r3= "6.97," r4= "7.47," igr1= "2260," "2261," "2262," &end # # 3050 ILE QD1 3053 TRP HZ3 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2315," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "2260," "2261," "2262," &end # # 3045 LEU HA 3050 ILE QD1 5.68 (# ) &rst ixpk= "0," nxpk= "0," iat= "2181," "-1," r1= "1.30," r2= "1.80," r3= "5.68," r4= "6.18," igr2= "2260," "2261," "2262," &end # # 1776 CYS HA 3050 ILE QD1 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "210," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "2260," "2261," "2262," &end # # 1826 LEU HA 3050 ILE QD1 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "973," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "2260," "2261," "2262," &end # # 1773 ILE HA 3050 ILE QD1 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "150," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "2260," "2261," "2262," &end # # 1776 CYS HB+ 3050 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= "212," "213," igr2= "2260," "2261," "2262," &end # # 1826 LEU QB 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= "975," "976," igr2= "2260," "2261," "2262," &end # # 3050 ILE HB 3050 ILE QD1 4.71 (# ) &rst ixpk= "0," nxpk= "0," iat= "2251," "-1," r1= "1.30," r2= "1.80," r3= "4.71," r4= "5.21," igr2= "2260," "2261," "2262," &end # # 1826 LEU QQD 3050 ILE QD1 7.05 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.05," r4= "7.55," igr1= "980," "981," "982," "984," "985," "986," igr2= "2260," "2261," "2262," &end # # 3045 LEU QQD 3050 ILE QD1 6.04 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.04," r4= "6.54," igr1= "2188," "2189," "2190," "2192," "2193," "2194," igr2= "2260," "2261," "2262," &end # # 3050 ILE QG2 3054 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= "2253," "2254," "2255," igr2= "2330," "2338," &end # # 3050 ILE QG2 3054 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= "2253," "2254," "2255," igr2= "2332," "2336," &end # # 1772 SER HA 3050 ILE QG2 6.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "139," "-1," r1= "1.30," r2= "1.80," r3= "6.32," r4= "6.82," igr2= "2253," "2254," "2255," &end # # 1773 ILE HA 3050 ILE QG2 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "150," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "2253," "2254," "2255," &end # # 1776 CYS HB+ 3050 ILE QG2 5.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.74," r4= "6.24," igr1= "212," "213," igr2= "2253," "2254," "2255," &end # # 1776 CYS HB- 3050 ILE QG2 6.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.18," r4= "6.68," igr1= "212," "213," igr2= "2253," "2254," "2255," &end # # 3050 ILE QG2 3051 GLU- QB 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "2253," "2254," "2255," igr2= "2270," "2271," &end # # 1824 ILE HB 3025 LEU QQD 5.22 (# ) &rst ixpk= "0," nxpk= "0," iat= "946," "-1," r1= "1.30," r2= "1.80," r3= "5.22," r4= "5.72," igr2= "1885," "1886," "1887," "1889," "1890," "1891," &end # # 1824 ILE QD1 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= "955," "956," "957," igr2= "1240," "1248," &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 # # 1824 ILE QD1 3026 LEU QQD 7.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.93," r4= "8.43," igr1= "955," "956," "957," igr2= "1904," "1905," "1906," "1908," "1909," "1910," &end # # 1847 ILE HA 3019 PHE QE 5.76 (# ) &rst ixpk= "0," nxpk= "0," iat= "1297," "-1," r1= "1.30," r2= "1.80," r3= "5.76," r4= "6.26," igr2= "1778," "1782," &end # # 1847 ILE HA 3023 TRP HH2 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1297," "1845," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1847 ILE HA 3019 PHE HZ 5.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "1297," "1780," r1= "1.30," r2= "1.80," r3= "5.70," r4= "6.20," &end # # 1847 ILE HA 1847 ILE QG2 4.26 (# ) &rst ixpk= "0," nxpk= "0," iat= "1297," "-1," r1= "1.30," r2= "1.80," r3= "4.26," r4= "4.76," igr2= "1301," "1302," "1303," &end # # 1847 ILE HG12 3019 PHE QE 5.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "1305," "-1," r1= "1.30," r2= "1.80," r3= "5.88," r4= "6.38," igr2= "1778," "1782," &end # # 3022 LEU HA 3022 LEU QQD 4.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "1813," "-1," r1= "1.30," r2= "1.80," r3= "4.83," r4= "5.33," igr2= "1820," "1821," "1822," "1824," "1825," "1826," &end # # 3022 LEU HA 3025 LEU QQD 4.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "1813," "-1," r1= "1.30," r2= "1.80," r3= "4.83," r4= "5.33," igr2= "1885," "1886," "1887," "1889," "1890," "1891," &end # # 1850 LYS+ HA 3023 TRP HH2 5.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "1356," "1845," r1= "1.30," r2= "1.80," r3= "5.70," r4= "6.20," &end # # 1804 GLN HA 1807 LYS+ HB+ 3.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "639," "-1," r1= "1.30," r2= "1.80," r3= "3.51," r4= "4.01," igr2= "689," "690," &end # # 1804 GLN HA 1807 LYS+ QD 5.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "639," "-1," r1= "1.30," r2= "1.80," r3= "5.12," r4= "5.62," igr2= "695," "696," &end # # 1807 LYS+ HA 1807 LYS+ QD 5.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "687," "-1," r1= "1.30," r2= "1.80," r3= "5.86," r4= "6.36," 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 # # 1850 LYS+ QE 3023 TRP HZ2 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1843," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1367," "1368," &end # # 1850 LYS+ HA 1850 LYS+ QE 6.15 (# ) &rst ixpk= "0," nxpk= "0," iat= "1356," "-1," r1= "1.30," r2= "1.80," r3= "6.15," r4= "6.65," igr2= "1367," "1368," &end # # 1810 LYS+ HG- 1810 LYS+ QE 4.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.73," r4= "5.23," igr1= "731," "732," igr2= "737," "738," &end # # 1850 LYS+ QE 1847 ILE QG1 6.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.93," r4= "7.43," igr1= "1367," "1368," igr2= "1305," "1306," &end # # 1803 VAL QG1 1807 LYS+ QE 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= "698," "699," &end # # 1807 LYS+ HB+ 1807 LYS+ QE 5.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.32," r4= "5.82," igr1= "689," "690," igr2= "698," "699," &end # # 3007 ASP- HB+ 3010 VAL QG1 4.8 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.80," r4= "5.30," igr1= "1600," "1601," igr2= "1639," "1640," "1641," &end # # 1779 SER HA 1782 HIS HD2 5.29 (# ) &rst ixpk= "0," nxpk= "0," iat= "257," "314," r1= "1.30," r2= "1.80," r3= "5.29," r4= "5.79," &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 1799 MET HG+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "257," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "549," "550," &end # # 1779 SER HA 1783 ALA QB 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "257," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "322," "323," "324," &end # # 1779 SER HA 1793 LEU QQD 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "257," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "458," "459," "460," "462," "463," "464," &end # # 1779 SER HB- 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= "259," "260," igr2= "549," "550," &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- 4.71 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.71," r4= "5.21," igr1= "259," "260," igr2= "546," "547," &end # # 1779 SER HB+ 1799 MET HB+ 5.24 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.24," r4= "5.74," igr1= "259," "260," igr2= "546," "547," &end # # 1779 SER HB+ 1799 MET HG- 3.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.72," r4= "4.22," igr1= "259," "260," igr2= "549," "550," &end # # 1779 SER HB- 1799 MET QE 5.25 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.25," r4= "5.75," igr1= "259," "260," igr2= "553," "554," "555," &end # # 1779 SER 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= "259," "260," igr2= "2332," "2336," &end # # 1772 SER HA 1775 ARG+ QD 5.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "139," "-1," r1= "1.30," r2= "1.80," r3= "5.46," r4= "5.96," igr2= "194," "195," &end # # 1772 SER HA 1775 ARG+ QB 6.04 (# ) &rst ixpk= "0," nxpk= "0," iat= "139," "-1," r1= "1.30," r2= "1.80," r3= "6.04," r4= "6.54," igr2= "188," "189," &end # # 1772 SER HA 1775 ARG+ QG 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "139," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "191," "192," &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 QG2 5.76 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.76," r4= "6.26," igr1= "141," "142," igr2= "2253," "2254," "2255," &end # # 1772 SER HB- 3050 ILE QG2 5.76 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.76," r4= "6.26," igr1= "141," "142," igr2= "2253," "2254," "2255," &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 # # 3009 SER HA 3009 SER QB 3.03 (# ) &rst ixpk= "0," nxpk= "0," iat= "1624," "-1," r1= "1.30," r2= "1.80," r3= "3.03," r4= "3.53," igr2= "1626," "1627," &end # # 1843 PHE QE 3014 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= "1242," "1246," igr2= "1701," "1702," "1703," "1705," "1706," "1707," &end # # 1843 PHE QE 3014 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= "1242," "1246," igr2= "1701," "1702," "1703," "1705," "1706," "1707," &end # # 3014 LEU HA 3014 LEU QQD 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "1694," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "1701," "1702," "1703," "1705," "1706," "1707," &end # # 3014 LEU HA 3014 LEU QQD 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "1694," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "1701," "1702," "1703," "1705," "1706," "1707," &end # # 1826 LEU QQD 3053 TRP HE3 6.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2317," r1= "1.30," r2= "1.80," r3= "6.52," r4= "7.02," igr1= "980," "981," "982," "984," "985," "986," &end # # 1826 LEU QQD 1829 TYR QD 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "980," "981," "982," "984," "985," "986," igr2= "1020," "1029," &end # # 1826 LEU QQD 3054 PHE HZ 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2334," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "980," "981," "982," "984," "985," "986," &end # # 1826 LEU QQD 3053 TRP HZ3 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2315," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "980," "981," "982," "984," "985," "986," &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 # # 1826 LEU QB 1826 LEU QQD 5.11 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.11," r4= "5.61," igr1= "975," "976," igr2= "980," "981," "982," "984," "985," "986," &end # # 1826 LEU QB 1826 LEU QQD 5.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.70," r4= "6.20," igr1= "975," "976," igr2= "980," "981," "982," "984," "985," "986," &end # # 1780 LEU QQD 1826 LEU QB 6.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.87," r4= "7.37," igr1= "275," "276," "277," "279," "280," "281," igr2= "975," "976," &end # # 1826 LEU HA 1829 TYR QD 5.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "973," "-1," r1= "1.30," r2= "1.80," r3= "5.53," r4= "6.03," igr2= "1020," "1029," &end # # 1826 LEU HA 1826 LEU QQD 4.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "973," "-1," r1= "1.30," r2= "1.80," r3= "4.41," r4= "4.91," igr2= "980," "981," "982," "984," "985," "986," &end # # 1829 TYR QD 3043 LEU QQD 7.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.72," r4= "8.22," igr1= "1020," "1029," igr2= "2152," "2153," "2154," "2156," "2157," "2158," &end # # 1829 TYR QE 3045 LEU QQD 8.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "8.32," r4= "8.82," igr1= "1022," "1027," igr2= "2188," "2189," "2190," "2192," "2193," "2194," &end # # 3040 MET HA 3043 LEU QQD 6.56 (# ) &rst ixpk= "0," nxpk= "0," iat= "2104," "-1," r1= "1.30," r2= "1.80," r3= "6.56," r4= "7.06," igr2= "2152," "2153," "2154," "2156," "2157," "2158," &end # # 3043 LEU QQD 3044 MET HA 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2164," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "2152," "2153," "2154," "2156," "2157," "2158," &end # # 3043 LEU HA 3043 LEU QQD 4.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "2145," "-1," r1= "1.30," r2= "1.80," r3= "4.41," r4= "4.91," igr2= "2152," "2153," "2154," "2156," "2157," "2158," &end # # 1832 LYS+ QE 3043 LEU QQD 6.27 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.27," r4= "6.77," igr1= "1073," "1074," igr2= "2152," "2153," "2154," "2156," "2157," "2158," &end # # 3043 LEU QQD 3044 MET QE 7.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.12," r4= "7.62," igr1= "2152," "2153," "2154," "2156," "2157," "2158," igr2= "2173," "2174," "2175," &end # # 3043 LEU HB+ 3043 LEU QQD 3.33 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.33," r4= "3.83," igr1= "2147," "2148," igr2= "2152," "2153," "2154," "2156," "2157," "2158," &end # # 1829 TYR QD 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= "1020," "1029," igr2= "2188," "2189," "2190," "2192," "2193," "2194," &end # # 3045 LEU HA 3045 LEU QQD 4.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "2181," "-1," r1= "1.30," r2= "1.80," r3= "4.42," r4= "4.92," igr2= "2188," "2189," "2190," "2192," "2193," "2194," &end # # 1773 ILE HA 3045 LEU QQD 6.15 (# ) &rst ixpk= "0," nxpk= "0," iat= "150," "-1," r1= "1.30," r2= "1.80," r3= "6.15," r4= "6.65," igr2= "2188," "2189," "2190," "2192," "2193," "2194," &end # # 1829 TYR HB- 3045 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= "1016," "1017," igr2= "2188," "2189," "2190," "2192," "2193," "2194," &end # # 1829 TYR HB+ 3045 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= "1016," "1017," igr2= "2188," "2189," "2190," "2192," "2193," "2194," &end # # 1776 CYS QB 3045 LEU QQD 6.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.83," r4= "7.33," igr1= "212," "213," igr2= "2188," "2189," "2190," "2192," "2193," "2194," &end # # 1826 LEU QB 3045 LEU QQD 5.57 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.57," r4= "6.07," igr1= "975," "976," igr2= "2188," "2189," "2190," "2192," "2193," "2194," &end # # 3042 ASP- QB 3043 LEU HA 5.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2145," r1= "1.30," r2= "1.80," r3= "5.72," r4= "6.22," igr1= "2135," "2136," &end # # 3042 ASP- QB 3045 LEU QB 6.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.38," r4= "6.88," igr1= "2135," "2136," igr2= "2183," "2184," &end # # 3045 LEU HA 3045 LEU HG 3.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "2181," "2186," r1= "1.30," r2= "1.80," r3= "3.64," r4= "4.14," &end # # 1829 TYR QD 3043 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= "1020," "1029," igr2= "2152," "2153," "2154," "2156," "2157," "2158," &end # # 3043 LEU HA 3043 LEU QQD 4.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "2145," "-1," r1= "1.30," r2= "1.80," r3= "4.42," r4= "4.92," igr2= "2152," "2153," "2154," "2156," "2157," "2158," &end # # 1832 LYS+ QE 3043 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= "1073," "1074," igr2= "2152," "2153," "2154," "2156," "2157," "2158," &end # # 3043 LEU QQD 3044 MET HB+ 6.03 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.03," r4= "6.53," igr1= "2152," "2153," "2154," "2156," "2157," "2158," igr2= "2166," "2167," &end # # 3042 ASP- HA 3045 LEU QQD 5.24 (# ) &rst ixpk= "0," nxpk= "0," iat= "2133," "-1," r1= "1.30," r2= "1.80," r3= "5.24," r4= "5.74," igr2= "2188," "2189," "2190," "2192," "2193," "2194," &end # # 3042 ASP- QB 3045 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= "2135," "2136," igr2= "2188," "2189," "2190," "2192," "2193," "2194," &end # # 3044 MET QE 3045 LEU QQD 5.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.86," r4= "6.36," igr1= "2173," "2174," "2175," igr2= "2188," "2189," "2190," "2192," "2193," "2194," &end # # 3032 LEU HA 3032 LEU QQD 4.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "1989," "-1," r1= "1.30," r2= "1.80," r3= "4.38," r4= "4.88," igr2= "1996," "1997," "1998," "2000," "2001," "2002," &end # # 3035 LEU QQD 3039 ALA HA 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2094," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "2040," "2041," "2042," "2044," "2045," "2046," &end # # 1826 LEU QQD 3053 TRP HE3 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2317," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "980," "981," "982," "984," "985," "986," &end # # 1826 LEU QQD 3054 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= "980," "981," "982," "984," "985," "986," igr2= "2332," "2336," &end # # 1826 LEU QQD 3053 TRP HZ3 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2315," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "980," "981," "982," "984," "985," "986," &end # # 1826 LEU QQD 1829 TYR QD 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "980," "981," "982," "984," "985," "986," igr2= "1020," "1029," &end # # 1823 LEU HA 1826 LEU QQD 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "925," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "980," "981," "982," "984," "985," "986," &end # # 1826 LEU HA 1826 LEU QQD 6.05 (# ) &rst ixpk= "0," nxpk= "0," iat= "973," "-1," r1= "1.30," r2= "1.80," r3= "6.05," r4= "6.55," igr2= "980," "981," "982," "984," "985," "986," &end # # 1773 ILE HA 1826 LEU QQD 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "150," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "980," "981," "982," "984," "985," "986," &end # # 1776 CYS HB+ 1826 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= "212," "213," igr2= "980," "981," "982," "984," "985," "986," &end # # 1776 CYS HB- 1826 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= "212," "213," igr2= "980," "981," "982," "984," "985," "986," &end # # 1777 ILE HB 1826 LEU QQD 6 (# ) &rst ixpk= "0," nxpk= "0," iat= "223," "-1," r1= "1.30," r2= "1.80," r3= "6.00," r4= "6.50," igr2= "980," "981," "982," "984," "985," "986," &end # # 1780 LEU HB- 1826 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= "270," "271," igr2= "980," "981," "982," "984," "985," "986," &end # # 1771 LEU QQD 1774 GLN HG+ 5.94 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.94," r4= "6.44," igr1= "127," "128," "129," "131," "132," "133," igr2= "174," "175," &end # # 1771 LEU QQD 1774 GLN HB- 5.37 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.37," r4= "5.87," igr1= "127," "128," "129," "131," "132," "133," igr2= "171," "172," &end # # 3035 LEU QQD 3036 PRO QG 7.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.17," r4= "7.67," igr1= "2040," "2041," "2042," "2044," "2045," "2046," igr2= "2054," "2055," &end # # 1845 LEU QQD 1849 HIS HD2 5.62 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1350," r1= "1.30," r2= "1.80," r3= "5.62," r4= "6.12," igr1= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1845 LEU QQD 1849 HIS HE1 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1346," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1845 LEU QQD 1849 HIS HD2 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1350," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1845 LEU QQD 1848 LYS+ HE+ 5.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.14," r4= "5.64," igr1= "1271," "1272," "1273," "1275," "1276," "1277," igr2= "1327," "1328," &end # # 3025 LEU HB- 3025 LEU QQD 3.63 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.63," r4= "4.13," igr1= "1880," "1881," igr2= "1885," "1886," "1887," "1889," "1890," "1891," &end # # 1824 ILE QG2 3025 LEU HB- 5.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.97," r4= "6.47," igr1= "948," "949," "950," igr2= "1880," "1881," &end # # 1821 LYS+ QB 3025 LEU HA 5.71 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1878," r1= "1.30," r2= "1.80," r3= "5.71," r4= "6.21," igr1= "888," "889," &end # # 3025 LEU HA 3025 LEU QQD 3.54 (# ) &rst ixpk= "0," nxpk= "0," iat= "1878," "-1," r1= "1.30," r2= "1.80," r3= "3.54," r4= "4.04," igr2= "1885," "1886," "1887," "1889," "1890," "1891," &end # # 1820 CYSZ HB- 3025 LEU QQD 6.1 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.10," r4= "6.60," igr1= "879," "878," igr2= "1885," "1886," "1887," "1889," "1890," "1891," &end # # 1828 CYS HA 1851 LEU QQD 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "1003," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1832 LYS+ HA 1851 LEU QQD 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "1062," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1848 LYS+ HA 1851 LEU QQD 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "1316," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1832 LYS+ QE 1851 LEU QQD 5.78 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.78," r4= "6.28," igr1= "1073," "1074," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1832 LYS+ HD- 1851 LEU QQD 4.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.13," r4= "4.63," igr1= "1070," "1071," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1851 LEU HB- 1851 LEU QQD 4.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.66," r4= "5.16," igr1= "1380," "1381," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 3032 LEU HA 3032 LEU QQD 4.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "1989," "-1," r1= "1.30," r2= "1.80," r3= "4.38," r4= "4.88," igr2= "1996," "1997," "1998," "2000," "2001," "2002," &end # # 3056 GLU- HA 3057 ASP- QB 6.06 (# ) &rst ixpk= "0," nxpk= "0," iat= "2358," "-1," r1= "1.30," r2= "1.80," r3= "6.06," r4= "6.56," igr2= "2375," "2376," &end # # 3035 LEU QQD 3038 GLN HA 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2077," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "2040," "2041," "2042," "2044," "2045," "2046," &end # # 1855 GLN HA 1855 GLN QG 4.48 (# ) &rst ixpk= "0," nxpk= "0," iat= "1455," "-1," r1= "1.30," r2= "1.80," r3= "4.48," r4= "4.98," igr2= "1460," "1461," &end # # 3052 GLN HA 3052 GLN QG 4.25 (# ) &rst ixpk= "0," nxpk= "0," iat= "2283," "-1," r1= "1.30," r2= "1.80," r3= "4.25," r4= "4.75," igr2= "2288," "2289," &end # # 3052 GLN QB 3055 THR QG2 6.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.12," r4= "6.62," igr1= "2285," "2286," igr2= "2348," "2349," "2350," &end # # 3051 GLU- HA 3054 PHE QD 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "2268," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "2330," "2338," &end # # 3051 GLU- HA 3054 PHE QE 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "2268," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "2332," "2336," &end # # 3051 GLU- HA 3055 THR QG2 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "2268," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "2348," "2349," "2350," &end # # 3051 GLU- HA 3051 GLU- HG- 4.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "2268," "-1," r1= "1.30," r2= "1.80," r3= "4.18," r4= "4.68," igr2= "2273," "2274," &end # # 3051 GLU- HA 3054 PHE HB- 5.28 (# ) &rst ixpk= "0," nxpk= "0," iat= "2268," "-1," r1= "1.30," r2= "1.80," r3= "5.28," r4= "5.78," igr2= "2326," "2327," &end # # 3050 ILE QG2 3051 GLU- HG+ 6.21 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.21," r4= "6.71," igr1= "2253," "2254," "2255," igr2= "2273," "2274," &end # # 3050 ILE QG2 3051 GLU- HG- 6.21 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.21," r4= "6.71," igr1= "2253," "2254," "2255," igr2= "2273," "2274," &end # # 1850 LYS+ QD 3020 SER HA 6.29 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1790," r1= "1.30," r2= "1.80," r3= "6.29," r4= "6.79," igr1= "1364," "1365," &end # # 3037 SER QB 3039 ALA QB 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "2068," "2069," igr2= "2096," "2097," "2098," &end # # 3047 PRO HA 3050 ILE QG2 5.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "2219," "-1," r1= "1.30," r2= "1.80," r3= "5.92," r4= "6.42," igr2= "2253," "2254," "2255," &end # # 3021 ASP- HA 3024 LYS+ QD 5.44 (# ) &rst ixpk= "0," nxpk= "0," iat= "1801," "-1," r1= "1.30," r2= "1.80," r3= "5.44," r4= "5.94," igr2= "1864," "1865," &end # # 3021 ASP- HB+ 3022 LEU HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1813," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "1803," "1804," &end # # 1829 TYR HA 3041 ASP- QB 5.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "1014," "-1," r1= "1.30," r2= "1.80," r3= "5.30," r4= "5.80," igr2= "2123," "2124," &end # # 3041 ASP- HA 3041 ASP- QB 3.09 (# ) &rst ixpk= "0," nxpk= "0," iat= "2121," "-1," r1= "1.30," r2= "1.80," r3= "3.09," r4= "3.59," igr2= "2123," "2124," &end # # 3042 ASP- HA 3042 ASP- QB 3.37 (# ) &rst ixpk= "0," nxpk= "0," iat= "2133," "-1," r1= "1.30," r2= "1.80," r3= "3.37," r4= "3.87," igr2= "2135," "2136," &end # # 3041 ASP- HA 3043 LEU QQD 5.76 (# ) &rst ixpk= "0," nxpk= "0," iat= "2121," "-1," r1= "1.30," r2= "1.80," r3= "5.76," r4= "6.26," igr2= "2152," "2153," "2154," "2156," "2157," "2158," &end # # 1829 TYR QD 3041 ASP- HA 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2121," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1020," "1029," &end # # 1829 TYR QD 3042 ASP- HA 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2133," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "1020," "1029," &end # # 1829 TYR QE 3041 ASP- QB 5.59 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.59," r4= "6.09," igr1= "1022," "1027," igr2= "2123," "2124," &end # # 1829 TYR QD 3041 ASP- QB 6.1 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.10," r4= "6.60," igr1= "1020," "1029," igr2= "2123," "2124," &end # # 3041 ASP- QB 3040 MET QB 6.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.85," r4= "7.35," igr1= "2123," "2124," igr2= "2106," "2107," &end # # 3021 ASP- QB 3024 LYS+ QD 4.49 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.49," r4= "4.99," igr1= "1803," "1804," igr2= "1864," "1865," &end # # 3041 ASP- QB 3043 LEU QQD 7.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.72," r4= "8.22," igr1= "2123," "2124," igr2= "2152," "2153," "2154," "2156," "2157," "2158," &end # # 1832 LYS+ QB 3041 ASP- HA 6.29 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2121," r1= "1.30," r2= "1.80," r3= "6.29," r4= "6.79," igr1= "1064," "1065," &end # # 1843 PHE QE 3019 PHE HA 5.75 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1770," r1= "1.30," r2= "1.80," r3= "5.75," r4= "6.25," igr1= "1242," "1246," &end # # 1823 LEU HA 3054 PHE QE 5.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "925," "-1," r1= "1.30," r2= "1.80," r3= "5.23," r4= "5.73," igr2= "2332," "2336," &end # # 1802 VAL QG1 1823 LEU HA 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "925," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "611," "612," "613," &end # # 1823 LEU HA 1823 LEU QQD 4.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "925," "-1," r1= "1.30," r2= "1.80," r3= "4.83," r4= "5.33," igr2= "932," "933," "934," "936," "937," "938," &end # # 1823 LEU HA 1826 LEU QB 4.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "925," "-1," r1= "1.30," r2= "1.80," r3= "4.83," r4= "5.33," igr2= "975," "976," &end # # 3051 GLU- HA 3051 GLU- HG+ 4.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "2268," "-1," r1= "1.30," r2= "1.80," r3= "4.18," r4= "4.68," igr2= "2273," "2274," &end # # 1792 SER HA 1797 GLN HG- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "440," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "510," "511," &end # # 1820 CYSZ HB+ 1821 LYS+ HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "886," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "879," "878," &end # # 1821 LYS+ HA 1821 LYS+ QE 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "886," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "897," "898," &end # # 1821 LYS+ HA 3025 LEU HB+ 3.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "886," "-1," r1= "1.30," r2= "1.80," r3= "3.74," r4= "4.24," igr2= "1880," "1881," &end # # 1821 LYS+ HA 1821 LYS+ HD- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "886," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "894," "895," &end # # 1821 LYS+ HA 1821 LYS+ HD+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "886," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "894," "895," &end # # 1821 LYS+ HA 1824 ILE QG2 4.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "886," "-1," r1= "1.30," r2= "1.80," r3= "4.86," r4= "5.36," igr2= "948," "949," "950," &end # # 1821 LYS+ HA 1821 LYS+ QG 4.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "886," "-1," r1= "1.30," r2= "1.80," r3= "4.30," r4= "4.80," igr2= "891," "892," &end # # 1821 LYS+ HA 3025 LEU QQD 4.68 (# ) &rst ixpk= "0," nxpk= "0," iat= "886," "-1," r1= "1.30," r2= "1.80," r3= "4.68," r4= "5.18," igr2= "1885," "1886," "1887," "1889," "1890," "1891," &end # # 1821 LYS+ HA 3026 LEU QQD 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "886," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "1904," "1905," "1906," "1908," "1909," "1910," &end # # 1821 LYS+ QG 3025 LEU HB+ 3.82 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.82," r4= "4.32," igr1= "891," "892," igr2= "1880," "1881," &end # # 1821 LYS+ QG 3025 LEU QQD 6.82 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.82," r4= "7.32," igr1= "891," "892," igr2= "1885," "1886," "1887," "1889," "1890," "1891," &end # # 1821 LYS+ QG 3025 LEU QQD 7.02 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.02," r4= "7.52," igr1= "891," "892," igr2= "1885," "1886," "1887," "1889," "1890," "1891," &end # # 1821 LYS+ QG 3026 LEU QQD 6.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.92," r4= "7.42," igr1= "891," "892," igr2= "1904," "1905," "1906," "1908," "1909," "1910," &end # # 1829 TYR QD 1832 LYS+ QE 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= "1073," "1074," &end # # 1829 TYR HA 1832 LYS+ QE 4.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "1014," "-1," r1= "1.30," r2= "1.80," r3= "4.32," r4= "4.82," igr2= "1073," "1074," &end # # 1818 PRO HA 1821 LYS+ QE 4.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "854," "-1," r1= "1.30," r2= "1.80," r3= "4.93," r4= "5.43," igr2= "897," "898," &end # # 1821 LYS+ QE 3025 LEU HB+ 4.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.85," r4= "5.35," igr1= "897," "898," igr2= "1880," "1881," &end # # 1821 LYS+ QG 1821 LYS+ QE 3.4 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.40," r4= "3.90," igr1= "891," "892," igr2= "897," "898," &end # # 1821 LYS+ QE 3026 LEU QQD 6.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.99," r4= "7.49," igr1= "897," "898," igr2= "1904," "1905," "1906," "1908," "1909," "1910," &end # # 1849 HIS HD2 1852 ARG+ QD 5.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "1350," "-1," r1= "1.30," r2= "1.80," r3= "5.93," r4= "6.43," igr2= "1405," "1406," &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 # # 3017 GLU- HA 3017 GLU- QG 3.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "1741," "-1," r1= "1.30," r2= "1.80," r3= "3.97," r4= "4.47," igr2= "1746," "1747," &end # # 1824 ILE QG2 3026 LEU HA 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1897," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "948," "949," "950," &end # # 1824 ILE QG2 3022 LEU HA 6.58 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1813," r1= "1.30," r2= "1.80," r3= "6.58," r4= "7.08," igr1= "948," "949," "950," &end # # 1824 ILE QG2 3026 LEU QQD 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= "1904," "1905," "1906," "1908," "1909," "1910," &end # # 1767 GLU- HA 1770 ARG+ QD 4.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "46," "-1," r1= "1.30," r2= "1.80," r3= "4.98," r4= "5.48," igr2= "104," "105," &end # # 1767 GLU- HA 1770 ARG+ HG- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "46," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "101," "102," &end # # 1767 GLU- HA 1771 LEU QQD 5.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "46," "-1," r1= "1.30," r2= "1.80," r3= "5.74," r4= "6.24," igr2= "127," "128," "129," "131," "132," "133," &end # # 3046 SER QB 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= "2202," "2203," igr2= "2260," "2261," "2262," &end # # 1836 GLU- HG+ 1839 CYS- HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1180," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "1134," "1135," &end # # 1836 GLU- HG- 1839 CYS- HA 4.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1180," r1= "1.30," r2= "1.80," r3= "4.66," r4= "5.16," igr1= "1134," "1135," &end # # 1836 GLU- HG- 1840 PRO HD- 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr1= "1134," "1135," igr2= "1189," "1190," &end # # 3056 GLU- HA 3056 GLU- HG- 4.02 (# ) &rst ixpk= "0," nxpk= "0," iat= "2358," "-1," r1= "1.30," r2= "1.80," r3= "4.02," r4= "4.52," igr2= "2363," "2364," &end # # 3056 GLU- HA 3056 GLU- HG+ 4.02 (# ) &rst ixpk= "0," nxpk= "0," iat= "2358," "-1," r1= "1.30," r2= "1.80," r3= "4.02," r4= "4.52," igr2= "2363," "2364," &end # # 3007 ASP- HA 3008 PRO QG 5.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "1598," "-1," r1= "1.30," r2= "1.80," r3= "5.66," r4= "6.16," igr2= "1612," "1613," &end # # 3012 PRO HA 3013 PRO QD 3.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "1674," "-1," r1= "1.30," r2= "1.80," r3= "3.98," r4= "4.48," igr2= "1679," "1680," &end # # 3033 SER HA 3034 PRO HB+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "2008," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "2024," "2025," &end # # 3034 PRO HA 3035 LEU QB 5.1 (# ) &rst ixpk= "0," nxpk= "0," iat= "2027," "-1," r1= "1.30," r2= "1.80," r3= "5.10," r4= "5.60," igr2= "2035," "2036," &end # # 3055 THR QG2 3056 GLU- HA 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2358," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "2348," "2349," "2350," &end # # 1849 HIS HA 1852 ARG+ QB 3.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "1338," "-1," r1= "1.30," r2= "1.80," r3= "3.96," r4= "4.46," igr2= "1399," "1400," &end # # 1777 ILE HB 1830 HIS HB- 5.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "223," "-1," r1= "1.30," r2= "1.80," r3= "5.17," r4= "5.67," igr2= "1037," "1038," &end # # 1821 LYS+ QB 1822 GLN HA 6.05 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "908," r1= "1.30," r2= "1.80," r3= "6.05," r4= "6.55," igr1= "888," "889," &end # # 3016 GLN QB 3019 PHE QB 6.26 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.26," r4= "6.76," igr1= "1726," "1727," igr2= "1772," "1773," &end # # 1804 GLN QG 1807 LYS+ HB+ 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "644," "645," igr2= "689," "690," &end # # 1777 ILE QG2 1778 GLN HG+ 6.04 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.04," r4= "6.54," igr1= "225," "226," "227," igr2= "245," "246," &end # # 1774 GLN HA 1774 GLN HG+ 3.89 (# ) &rst ixpk= "0," nxpk= "0," iat= "169," "-1," r1= "1.30," r2= "1.80," r3= "3.89," r4= "4.39," igr2= "174," "175," &end # # 1774 GLN HG+ 1829 TYR QE 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "174," "175," igr2= "1022," "1027," &end # # 1774 GLN HG- 1829 TYR QE 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "174," "175," igr2= "1022," "1027," &end # # 1771 LEU HA 1774 GLN QB 3.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "120," "-1," r1= "1.30," r2= "1.80," r3= "3.20," r4= "3.70," igr2= "171," "172," &end # # 1774 GLN 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= "171," "172," igr2= "191," "192," &end # # 1773 ILE QG2 1774 GLN 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= "171," "172," &end # # 1773 ILE HB 1774 GLN QB 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "152," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "171," "172," &end # # 1766 GLN HA 1766 GLN HG- 3.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "29," "-1," r1= "1.30," r2= "1.80," r3= "3.79," r4= "4.29," igr2= "34," "35," &end # # 1805 HIS HD2 1820 CYSZ HA 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "667," "876," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 3035 LEU QQD 3037 CYS HA 6.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2066," r1= "1.30," r2= "1.80," r3= "6.42," r4= "6.92," igr1= "2040," "2041," "2042," "2044," "2045," "2046," &end # # 1831 ALA QB 3023 TRP HZ3 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1847," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1054," "1055," "1056," &end # # 1830 HIS HD2 1844 CYSZ QB 4.39 (# ) &rst ixpk= "0," nxpk= "0," iat= "1046," "-1," r1= "1.30," r2= "1.80," r3= "4.39," r4= "4.89," igr2= "1257," "1256," &end # # 1777 ILE QD1 1830 HIS HD2 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1046," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "232," "233," "234," &end # # 1823 LEU HG 1843 PHE QD 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "930," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "1240," "1248," &end # # 1823 LEU HG 1843 PHE QE 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "930," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "1242," "1246," &end # # 1842 PRO HG+ 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= "1222," "1223," igr2= "1240," "1248," &end # # 1819 VAL HB 1820 CYSZ HB- 5.39 (# ) &rst ixpk= "0," nxpk= "0," iat= "862," "-1," r1= "1.30," r2= "1.80," r3= "5.39," r4= "5.89," igr2= "879," "878," &end # # 1820 CYSZ HB- 1821 LYS+ QB 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr1= "879," "878," igr2= "888," "889," &end # # 3045 LEU HG 3053 TRP HH2 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "2186," "2313," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1787 ARG+ HB+ 1787 ARG+ HG+ 2.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "2.87," r4= "3.37," igr1= "370," "371," igr2= "373," "374," &end # # 3043 LEU HG 3044 MET HA 4.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "2150," "2164," r1= "1.30," r2= "1.80," r3= "4.53," r4= "5.03," &end # # 1804 GLN HA 1807 LYS+ QE 5.16 (# ) &rst ixpk= "0," nxpk= "0," iat= "639," "-1," r1= "1.30," r2= "1.80," r3= "5.16," r4= "5.66," igr2= "698," "699," &end # # 1798 LYS+ QE 3055 THR QG2 6.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.86," r4= "7.36," igr1= "533," "534," igr2= "2348," "2349," "2350," &end # # 3021 ASP- HB- 3024 LYS+ QD 5.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.30," r4= "5.80," igr1= "1803," "1804," igr2= "1864," "1865," &end # # 3047 PRO HA 3050 ILE HB 4.21 (# ) &rst ixpk= "0," nxpk= "0," iat= "2219," "2251," r1= "1.30," r2= "1.80," r3= "4.21," r4= "4.71," &end # # 3035 LEU QB 3036 PRO HD+ 4.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.60," r4= "5.10," igr1= "2035," "2036," igr2= "2051," "2052," &end # # 3035 LEU QQD 3036 PRO HD+ 4.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.07," r4= "4.57," igr1= "2040," "2041," "2042," "2044," "2045," "2046," igr2= "2051," "2052," &end # # 3035 LEU QQD 3036 PRO HD- 4.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.07," r4= "4.57," igr1= "2040," "2041," "2042," "2044," "2045," "2046," igr2= "2051," "2052," &end # # 3035 LEU QB 3036 PRO HD- 4.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.60," r4= "5.10," igr1= "2035," "2036," igr2= "2051," "2052," &end # # 1764 SER HB+ 1765 PRO HD+ 4.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.14," r4= "4.64," igr1= "6," "7," igr2= "14," "15," &end # # 1764 SER HB+ 1765 PRO HD- 4.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.14," r4= "4.64," igr1= "6," "7," igr2= "14," "15," &end # # 1785 GLN HA 1787 ARG+ QD 5.57 (# ) &rst ixpk= "0," nxpk= "0," iat= "341," "-1," r1= "1.30," r2= "1.80," r3= "5.57," r4= "6.07," igr2= "376," "377," &end # # 1831 ALA HA 1848 LYS+ HE+ 4.9 (# ) &rst ixpk= "0," nxpk= "0," iat= "1052," "-1," r1= "1.30," r2= "1.80," r3= "4.90," r4= "5.40," igr2= "1327," "1328," &end # # 1787 ARG+ QB 1787 ARG+ QD 3.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.99," r4= "4.49," igr1= "370," "371," igr2= "376," "377," &end # # 1800 LYS+ QE 1803 VAL QQG 7.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.96," r4= "8.46," igr1= "572," "573," igr2= "627," "628," "629," "631," "632," "633," &end # # 1797 GLN HG- 1801 ARG+ QD 5.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.84," r4= "6.34," igr1= "510," "511," 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 # # 1798 LYS+ QE 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= "533," "534," igr2= "2330," "2338," &end # # 1764 SER HA 1765 PRO QG 5.56 (# ) &rst ixpk= "0," nxpk= "0," iat= "4," "-1," r1= "1.30," r2= "1.80," r3= "5.56," r4= "6.06," igr2= "17," "18," &end # # 1764 SER HA 1765 PRO QD 2.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "4," "-1," r1= "1.30," r2= "1.80," r3= "2.88," r4= "3.38," igr2= "14," "15," &end # # 1764 SER HB+ 1765 PRO QD 3.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.70," r4= "4.20," igr1= "6," "7," igr2= "14," "15," &end # # 1765 PRO QD 1766 GLN H 4.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "27," r1= "1.30," r2= "1.80," r3= "4.60," r4= "5.10," igr1= "14," "15," &end # # 1765 PRO QD 1767 GLU- H 5.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "44," r1= "1.30," r2= "1.80," r3= "5.74," r4= "6.24," igr1= "14," "15," &end # # 1767 GLU- HA 1767 GLU- QB 2.9 (# ) &rst ixpk= "0," nxpk= "0," iat= "46," "-1," r1= "1.30," r2= "1.80," r3= "2.90," r4= "3.40," igr2= "48," "49," &end # # 1767 GLU- QB 1771 LEU QQD 6.21 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.21," r4= "6.71," igr1= "48," "49," igr2= "127," "128," "129," "131," "132," "133," &end # # 1767 GLU- QB 1771 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= "48," "49," igr2= "127," "128," "129," "131," "132," "133," &end # # 1767 GLU- QG 1771 LEU QB 6.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.73," r4= "7.23," igr1= "51," "52," igr2= "122," "123," &end # # 1768 SER HA 1771 LEU QB 4.1 (# ) &rst ixpk= "0," nxpk= "0," iat= "61," "-1," r1= "1.30," r2= "1.80," r3= "4.10," r4= "4.60," igr2= "122," "123," &end # # 1768 SER QB 1771 LEU QB 5.47 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.47," r4= "5.97," igr1= "63," "64," igr2= "122," "123," &end # # 1769 ARG+ QG 1770 ARG+ H 4.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "94," r1= "1.30," r2= "1.80," r3= "4.86," r4= "5.36," igr1= "77," "78," &end # # 1770 ARG+ HA 1773 ILE QG1 4.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "96," "-1," r1= "1.30," r2= "1.80," r3= "4.61," r4= "5.11," igr2= "158," "159," &end # # 1770 ARG+ QG 1774 GLN QE2 6.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.01," r4= "6.51," igr1= "101," "102," igr2= "179," "180," &end # # 1770 ARG+ QD 1774 GLN QE2 6.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.73," r4= "7.23," igr1= "104," "105," igr2= "179," "180," &end # # 1771 LEU H 1771 LEU QB 3.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "118," "-1," r1= "1.30," r2= "1.80," r3= "3.66," r4= "4.16," igr2= "122," "123," &end # # 1771 LEU QB 1771 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= "122," "123," igr2= "127," "128," "129," "131," "132," "133," &end # # 1771 LEU QB 1772 SER H 3.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "137," r1= "1.30," r2= "1.80," r3= "3.64," r4= "4.14," igr1= "122," "123," &end # # 1771 LEU QB 1772 SER HA 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "139," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "122," "123," &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 QQD 1774 GLN QE2 5.25 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.25," r4= "5.75," igr1= "127," "128," "129," "131," "132," "133," igr2= "179," "180," &end # # 1772 SER H 1772 SER QB 4.05 (# ) &rst ixpk= "0," nxpk= "0," iat= "137," "-1," r1= "1.30," r2= "1.80," r3= "4.05," r4= "4.55," igr2= "141," "142," &end # # 1772 SER QB 1773 ILE H 3.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "148," r1= "1.30," r2= "1.80," r3= "3.93," r4= "4.43," 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 5.29 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.29," r4= "5.79," igr1= "141," "142," igr2= "158," "159," &end # # 1772 SER QB 1775 ARG+ QB 5.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.93," r4= "6.43," igr1= "141," "142," igr2= "188," "189," &end # # 1772 SER QB 3050 ILE QG2 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= "2253," "2254," "2255," &end # # 1773 ILE H 1773 ILE QG1 3.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "148," "-1," r1= "1.30," r2= "1.80," r3= "3.46," r4= "3.96," igr2= "158," "159," &end # # 1773 ILE HA 1773 ILE QG1 3.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "150," "-1," r1= "1.30," r2= "1.80," r3= "3.43," r4= "3.93," igr2= "158," "159," &end # # 1773 ILE HA 3050 ILE QG1 5.26 (# ) &rst ixpk= "0," nxpk= "0," iat= "150," "-1," r1= "1.30," r2= "1.80," r3= "5.26," r4= "5.76," igr2= "2257," "2258," &end # # 1773 ILE QG2 1777 ILE QG1 6.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.07," r4= "6.57," igr1= "154," "155," "156," igr2= "229," "230," &end # # 1773 ILE QG2 1829 TYR QB 6.59 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.59," r4= "7.09," igr1= "154," "155," "156," igr2= "1016," "1017," &end # # 1773 ILE QG2 3045 LEU QB 5.77 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.77," r4= "6.27," igr1= "154," "155," "156," igr2= "2183," "2184," &end # # 1773 ILE QG1 1774 GLN H 4.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "167," r1= "1.30," r2= "1.80," r3= "4.85," r4= "5.35," igr1= "158," "159," &end # # 1774 GLN H 1774 GLN QE2 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "167," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr2= "179," "180," &end # # 1774 GLN HA 1777 ILE QG1 5.57 (# ) &rst ixpk= "0," nxpk= "0," iat= "169," "-1," r1= "1.30," r2= "1.80," r3= "5.57," r4= "6.07," igr2= "229," "230," &end # # 1774 GLN HB- 1774 GLN QE2 4.65 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.65," r4= "5.15," igr1= "171," "172," igr2= "179," "180," &end # # 1774 GLN HG+ 1774 GLN QE2 3.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.50," r4= "4.00," igr1= "174," "175," igr2= "179," "180," &end # # 1775 ARG+ HA 1778 GLN QB 4.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "186," "-1," r1= "1.30," r2= "1.80," r3= "4.61," r4= "5.11," igr2= "242," "243," &end # # 1775 ARG+ HA 1778 GLN QE2 4.56 (# ) &rst ixpk= "0," nxpk= "0," iat= "186," "-1," r1= "1.30," r2= "1.80," r3= "4.56," r4= "5.06," igr2= "250," "251," &end # # 1775 ARG+ QG 1778 GLN QB 6.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.73," r4= "7.23," igr1= "191," "192," igr2= "242," "243," &end # # 1775 ARG+ QG 1778 GLN QE2 4.9 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.90," r4= "5.40," igr1= "191," "192," igr2= "250," "251," &end # # 1776 CYS HB- 3050 ILE QG1 4.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.53," r4= "5.03," igr1= "212," "213," igr2= "2257," "2258," &end # # 1777 ILE H 1777 ILE QG1 3.68 (# ) &rst ixpk= "0," nxpk= "0," iat= "219," "-1," r1= "1.30," r2= "1.80," r3= "3.68," r4= "4.18," igr2= "229," "230," &end # # 1777 ILE HA 1777 ILE QG1 3.68 (# ) &rst ixpk= "0," nxpk= "0," iat= "221," "-1," r1= "1.30," r2= "1.80," r3= "3.68," r4= "4.18," igr2= "229," "230," &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 QG1 1778 GLN H 5.44 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "238," r1= "1.30," r2= "1.80," r3= "5.44," r4= "5.94," igr1= "229," "230," &end # # 1777 ILE QG1 1826 LEU QQD 4.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.46," r4= "4.96," igr1= "229," "230," igr2= "980," "981," "982," "984," "985," "986," &end # # 1777 ILE QG1 1826 LEU QQD 6.78 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.78," r4= "7.28," igr1= "229," "230," igr2= "980," "981," "982," "984," "985," "986," &end # # 1777 ILE QG1 1829 TYR QD 6.25 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.25," r4= "6.75," igr1= "229," "230," igr2= "1020," "1029," &end # # 1777 ILE QG1 1830 HIS HB- 5.89 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.89," r4= "6.39," igr1= "229," "230," igr2= "1037," "1038," &end # # 1777 ILE QG1 1830 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= "229," "230," igr2= "1037," "1038," &end # # 1777 ILE QD1 1829 TYR QB 6.35 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.35," r4= "6.85," igr1= "232," "233," "234," igr2= "1016," "1017," &end # # 1778 GLN H 1778 GLN QB 3.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "238," "-1," r1= "1.30," r2= "1.80," r3= "3.43," r4= "3.93," igr2= "242," "243," &end # # 1778 GLN H 1778 GLN QE2 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "238," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr2= "250," "251," &end # # 1778 GLN QB 1778 GLN QE2 5.18 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.18," r4= "5.68," igr1= "242," "243," igr2= "250," "251," &end # # 1780 LEU HG 1842 PRO QD 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "273," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr2= "1219," "1220," &end # # 1780 LEU QQD 1842 PRO QD 5.1 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.10," r4= "5.60," igr1= "275," "276," "277," "279," "280," "281," igr2= "1219," "1220," &end # # 1782 HIS HA 1785 GLN QE2 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "303," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr2= "351," "352," &end # # 1785 GLN HA 1785 GLN QE2 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "341," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr2= "351," "352," &end # # 1786 CYS- HB+ 1800 LYS+ QG 4.78 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.78," r4= "5.28," igr1= "361," "360," igr2= "566," "567," &end # # 1792 SER H 1792 SER QB 4.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "438," "-1," r1= "1.30," r2= "1.80," r3= "4.14," r4= "4.64," igr2= "442," "443," &end # # 1792 SER HA 1792 SER QB 2.95 (# ) &rst ixpk= "0," nxpk= "0," iat= "440," "-1," r1= "1.30," r2= "1.80," r3= "2.95," r4= "3.45," igr2= "442," "443," &end # # 1793 LEU QQD 1794 PRO QG 7.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.20," r4= "7.70," igr1= "458," "459," "460," "462," "463," "464," igr2= "472," "473," &end # # 1793 LEU QQD 1794 PRO QG 5.8 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.80," r4= "6.30," igr1= "458," "459," "460," "462," "463," "464," igr2= "472," "473," &end # # 1797 GLN HA 1800 LYS+ QG 5.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "505," "-1," r1= "1.30," r2= "1.80," r3= "5.12," r4= "5.62," igr2= "566," "567," &end # # 1798 LYS+ H 1798 LYS+ QG 4.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "520," "-1," r1= "1.30," r2= "1.80," r3= "4.53," r4= "5.03," igr2= "527," "528," &end # # 1798 LYS+ HA 1798 LYS+ QG 3.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "522," "-1," r1= "1.30," r2= "1.80," r3= "3.87," r4= "4.37," igr2= "527," "528," &end # # 1798 LYS+ QG 1802 VAL QG2 6.59 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.59," r4= "7.09," igr1= "527," "528," igr2= "615," "616," "617," &end # # 1798 LYS+ QG 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= "527," "528," igr2= "2330," "2338," &end # # 1800 LYS+ H 1800 LYS+ QG 3.54 (# ) &rst ixpk= "0," nxpk= "0," iat= "559," "-1," r1= "1.30," r2= "1.80," r3= "3.54," r4= "4.04," igr2= "566," "567," &end # # 1800 LYS+ HA 1800 LYS+ QG 3.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "561," "-1," r1= "1.30," r2= "1.80," r3= "3.88," r4= "4.38," igr2= "566," "567," &end # # 1800 LYS+ QG 1800 LYS+ HE- 3.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.83," r4= "4.33," igr1= "566," "567," igr2= "572," "573," &end # # 1800 LYS+ QG 1800 LYS+ HE+ 3.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.88," r4= "4.38," igr1= "566," "567," igr2= "572," "573," &end # # 1800 LYS+ QG 1803 VAL QG1 6.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.20," r4= "6.70," igr1= "566," "567," igr2= "627," "628," "629," &end # # 1803 VAL QG2 1842 PRO QD 5.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.53," r4= "6.03," igr1= "631," "632," "633," igr2= "1219," "1220," &end # # 1804 GLN H 1804 GLN QB 3.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "637," "-1," r1= "1.30," r2= "1.80," r3= "3.41," r4= "3.91," igr2= "641," "642," &end # # 1804 GLN HA 1804 GLN QE2 5.03 (# ) &rst ixpk= "0," nxpk= "0," iat= "639," "-1," r1= "1.30," r2= "1.80," r3= "5.03," r4= "5.53," igr2= "649," "650," &end # # 1804 GLN QB 1805 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= "641," "642," igr2= "658," "659," &end # # 1804 GLN QE2 1807 LYS+ QE 6.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.73," r4= "7.23," igr1= "649," "650," igr2= "698," "699," &end # # 1805 HIS HD2 1809 CYS- QB 5.25 (# ) &rst ixpk= "0," nxpk= "0," iat= "667," "-1," r1= "1.30," r2= "1.80," r3= "5.25," r4= "5.75," igr2= "719," "718," &end # # 1805 HIS HE1 1809 CYS- QB 4.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "664," "-1," r1= "1.30," r2= "1.80," r3= "4.87," r4= "5.37," igr2= "719," "718," &end # # 1806 THR HA 1809 CYS- QB 4.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "673," "-1," r1= "1.30," r2= "1.80," r3= "4.07," r4= "4.57," igr2= "719," "718," &end # # 1806 THR QG2 1809 CYS- QB 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= "719," "718," &end # # 1806 THR QG2 1843 PHE QB 8.09 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "8.09," r4= "8.59," igr1= "677," "678," "679," igr2= "1236," "1237," &end # # 1807 LYS+ QG 1807 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= "692," "693," igr2= "698," "699," &end # # 1807 LYS+ QG 1808 GLY QA 6.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.93," r4= "7.43," igr1= "692," "693," igr2= "709," "710," &end # # 1808 GLY H 1809 CYS- QB 5.94 (# ) &rst ixpk= "0," nxpk= "0," iat= "707," "-1," r1= "1.30," r2= "1.80," r3= "5.94," r4= "6.44," igr2= "719," "718," &end # # 1810 LYS+ H 1810 LYS+ QB 3.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "724," "-1," r1= "1.30," r2= "1.80," r3= "3.55," r4= "4.05," igr2= "728," "729," &end # # 1810 LYS+ HA 1810 LYS+ QG 3.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "726," "-1," r1= "1.30," r2= "1.80," r3= "3.79," r4= "4.29," igr2= "731," "732," &end # # 1810 LYS+ QB 1810 LYS+ QD 3.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.97," r4= "4.47," igr1= "728," "729," igr2= "734," "735," &end # # 1810 LYS+ QB 1810 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= "728," "729," igr2= "737," "738," &end # # 1810 LYS+ QB 1811 ARG+ H 4.58 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "746," r1= "1.30," r2= "1.80," r3= "4.58," r4= "5.08," igr1= "728," "729," &end # # 1810 LYS+ QG 1810 LYS+ QE 4.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.42," r4= "4.92," igr1= "731," "732," igr2= "737," "738," &end # # 1811 ARG+ H 1811 ARG+ QB 3.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "746," "-1," r1= "1.30," r2= "1.80," r3= "3.55," r4= "4.05," igr2= "750," "751," &end # # 1811 ARG+ HA 1811 ARG+ QG 4.21 (# ) &rst ixpk= "0," nxpk= "0," iat= "748," "-1," r1= "1.30," r2= "1.80," r3= "4.21," r4= "4.71," igr2= "753," "754," &end # # 1811 ARG+ HA 1814 ASN QD2 5.78 (# ) &rst ixpk= "0," nxpk= "0," iat= "748," "-1," r1= "1.30," r2= "1.80," r3= "5.78," r4= "6.28," igr2= "815," "816," &end # # 1811 ARG+ QB 1811 ARG+ QD 4.47 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.47," r4= "4.97," igr1= "750," "751," igr2= "756," "757," &end # # 1811 ARG+ QB 1814 ASN HB- 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "750," "751," igr2= "810," "811," &end # # 1811 ARG+ QB 1817 CYS- HA 6.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "836," r1= "1.30," r2= "1.80," r3= "6.13," r4= "6.63," igr1= "750," "751," &end # # 1811 ARG+ QB 1817 CYS- QB 6.53 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.53," r4= "7.03," igr1= "750," "751," igr2= "839," "838," &end # # 1811 ARG+ QG 1817 CYS- QB 5.71 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.71," r4= "6.21," igr1= "753," "754," igr2= "839," "838," &end # # 1811 ARG+ QD 1817 CYS- QB 4.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.72," r4= "5.22," igr1= "756," "757," igr2= "839," "838," &end # # 1812 LYS+ H 1812 LYS+ QG 5.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "770," "-1," r1= "1.30," r2= "1.80," r3= "5.32," r4= "5.82," igr2= "777," "778," &end # # 1812 LYS+ QB 1813 THR QG2 7.89 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.89," r4= "8.39," igr1= "774," "775," igr2= "798," "799," "800," &end # # 1812 LYS+ QG 1812 LYS+ QE 4.59 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.59," r4= "5.09," igr1= "777," "778," igr2= "783," "784," &end # # 1815 GLY QA 1816 GLY H 3.65 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "827," r1= "1.30," r2= "1.80," r3= "3.65," r4= "4.15," igr1= "822," "823," &end # # 1815 GLY QA 3025 LEU QQD 6.11 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.11," r4= "6.61," igr1= "822," "823," igr2= "1885," "1886," "1887," "1889," "1890," "1891," &end # # 3010 VAL QQG 3012 PRO QD 8.08 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "8.08," r4= "8.58," igr1= "1639," "1640," "1641," "1643," "1644," "1645," igr2= "1665," "1666," &end # # 1817 CYS- HA 1818 PRO QD 3.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "836," "-1," r1= "1.30," r2= "1.80," r3= "3.51," r4= "4.01," igr2= "845," "846," &end # # 1817 CYS- QB 1819 VAL H 5.26 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "858," r1= "1.30," r2= "1.80," r3= "5.26," r4= "5.76," igr1= "839," "838," &end # # 1817 CYS- QB 1819 VAL QG2 7.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.20," r4= "7.70," igr1= "839," "838," igr2= "868," "869," "870," &end # # 1818 PRO HA 1821 LYS+ QD 5.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "854," "-1," r1= "1.30," r2= "1.80," r3= "5.34," r4= "5.84," igr2= "894," "895," &end # # 1818 PRO QB 1819 VAL H 4.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "858," r1= "1.30," r2= "1.80," r3= "4.13," r4= "4.63," igr1= "851," "852," &end # # 1818 PRO QB 1819 VAL QQG 7.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.73," r4= "8.23," igr1= "851," "852," igr2= "864," "865," "866," "868," "869," "870," &end # # 1818 PRO QB 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= "851," "852," &end # # 1818 PRO QD 1819 VAL QQG 6.11 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.11," r4= "6.61," igr1= "845," "846," igr2= "864," "865," "866," "868," "869," "870," &end # # 1819 VAL HA 1822 GLN QB 5.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "860," "-1," r1= "1.30," r2= "1.80," r3= "5.87," r4= "6.37," igr2= "910," "911," &end # # 1821 LYS+ HA 1821 LYS+ QD 5.42 (# ) &rst ixpk= "0," nxpk= "0," iat= "886," "-1," r1= "1.30," r2= "1.80," r3= "5.42," r4= "5.92," igr2= "894," "895," &end # # 1822 GLN H 1822 GLN QB 3.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "906," "-1," r1= "1.30," r2= "1.80," r3= "3.92," r4= "4.42," igr2= "910," "911," &end # # 1822 GLN QB 1825 ALA QB 6.69 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.69," r4= "7.19," igr1= "910," "911," igr2= "965," "966," "967," &end # # 1822 GLN QB 3054 PHE QD 6.49 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.49," r4= "6.99," igr1= "910," "911," igr2= "2330," "2338," &end # # 1822 GLN QB 3054 PHE QE 5.39 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.39," r4= "5.89," igr1= "910," "911," igr2= "2332," "2336," &end # # 1823 LEU QQD 1843 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= "932," "933," "934," "936," "937," "938," igr2= "1236," "1237," &end # # 1824 ILE QD1 1843 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= "955," "956," "957," igr2= "1236," "1237," &end # # 1826 LEU QQD 1829 TYR QB 7.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.20," r4= "7.70," igr1= "980," "981," "982," "984," "985," "986," igr2= "1016," "1017," &end # # 1827 CYS H 1827 CYS QB 3.69 (# ) &rst ixpk= "0," nxpk= "0," iat= "990," "-1," r1= "1.30," r2= "1.80," r3= "3.69," r4= "4.19," igr2= "994," "995," &end # # 1827 CYS QB 1828 CYS H 5.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1001," r1= "1.30," r2= "1.80," r3= "5.01," r4= "5.51," igr1= "994," "995," &end # # 1827 CYS QB 1828 CYS HA 5.81 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1003," r1= "1.30," r2= "1.80," r3= "5.81," r4= "6.31," igr1= "994," "995," &end # # 1827 CYS QB 1831 ALA QB 6.94 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.94," r4= "7.44," igr1= "994," "995," igr2= "1054," "1055," "1056," &end # # 1827 CYS QB 1843 PHE QD 5.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.66," r4= "6.16," igr1= "994," "995," igr2= "1240," "1248," &end # # 1829 TYR HA 1829 TYR QB 2.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "1014," "-1," r1= "1.30," r2= "1.80," r3= "2.85," r4= "3.35," igr2= "1016," "1017," &end # # 1829 TYR HA 1832 LYS+ QB 4.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "1014," "-1," r1= "1.30," r2= "1.80," r3= "4.14," r4= "4.64," igr2= "1064," "1065," &end # # 1829 TYR HA 1832 LYS+ QG 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "1014," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr2= "1067," "1068," &end # # 1829 TYR QB 3041 ASP- QB 6.02 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.02," r4= "6.52," igr1= "1016," "1017," igr2= "2123," "2124," &end # # 1829 TYR QB 3044 MET QE 4.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.83," r4= "5.33," igr1= "1016," "1017," igr2= "2173," "2174," "2175," &end # # 1829 TYR QB 3045 LEU HG 5.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2186," r1= "1.30," r2= "1.80," r3= "5.85," r4= "6.35," igr1= "1016," "1017," &end # # 1829 TYR QB 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= "1016," "1017," igr2= "2188," "2189," "2190," "2192," "2193," "2194," &end # # 1829 TYR QB 3045 LEU QQD 5.65 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.65," r4= "6.15," igr1= "1016," "1017," igr2= "2188," "2189," "2190," "2192," "2193," "2194," &end # # 1829 TYR QE 3045 LEU QB 5.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.72," r4= "6.22," igr1= "1022," "1027," igr2= "2183," "2184," &end # # 1831 ALA QB 1848 LYS+ QG 6.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.30," r4= "6.80," igr1= "1054," "1055," "1056," igr2= "1321," "1322," &end # # 1832 LYS+ H 1832 LYS+ QB 3.69 (# ) &rst ixpk= "0," nxpk= "0," iat= "1060," "-1," r1= "1.30," r2= "1.80," r3= "3.69," r4= "4.19," igr2= "1064," "1065," &end # # 1832 LYS+ HA 1832 LYS+ QG 3.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "1062," "-1," r1= "1.30," r2= "1.80," r3= "3.19," r4= "3.69," igr2= "1067," "1068," &end # # 1832 LYS+ QB 1832 LYS+ HD+ 3.91 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.91," r4= "4.41," igr1= "1064," "1065," igr2= "1070," "1071," &end # # 1832 LYS+ QB 1833 HIS HD2 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1096," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "1064," "1065," &end # # 1832 LYS+ QB 1851 LEU QQD 6.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.01," r4= "6.51," igr1= "1064," "1065," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1832 LYS+ QG 1832 LYS+ QE 4.65 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.65," r4= "5.15," igr1= "1067," "1068," igr2= "1073," "1074," &end # # 1832 LYS+ QG 1851 LEU QQD 6.77 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.77," r4= "7.27," igr1= "1067," "1068," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1834 CYS- HB+ 1848 LYS+ QD 5.67 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.67," r4= "6.17," igr1= "1105," "1104," igr2= "1324," "1325," &end # # 1835 GLN H 1835 GLN QG 3.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "1110," "-1," r1= "1.30," r2= "1.80," r3= "3.73," r4= "4.23," igr2= "1117," "1118," &end # # 1835 GLN QG 1835 GLN HE2- 3.31 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.31," r4= "3.81," igr1= "1117," "1118," igr2= "1122," "1123," &end # # 1835 GLN QG 1835 GLN HE2+ 4.02 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.02," r4= "4.52," igr1= "1117," "1118," igr2= "1122," "1123," &end # # 1837 ASN QB 1837 ASN QD2 3.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.88," r4= "4.38," igr1= "1146," "1147," igr2= "1151," "1152," &end # # 1837 ASN QD2 1838 LYS+ H 5.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1156," r1= "1.30," r2= "1.80," r3= "5.23," r4= "5.73," igr1= "1151," "1152," &end # # 1837 ASN QD2 1838 LYS+ HA 5.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1158," r1= "1.30," r2= "1.80," r3= "5.87," r4= "6.37," igr1= "1151," "1152," &end # # 1837 ASN QD2 1845 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= "1151," "1152," igr2= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1838 LYS+ H 1838 LYS+ QB 3.57 (# ) &rst ixpk= "0," nxpk= "0," iat= "1156," "-1," r1= "1.30," r2= "1.80," r3= "3.57," r4= "4.07," igr2= "1160," "1161," &end # # 1838 LYS+ QB 1838 LYS+ HG+ 2.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "2.93," r4= "3.43," igr1= "1160," "1161," igr2= "1163," "1164," &end # # 1838 LYS+ QB 1839 CYS- H 4.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1178," r1= "1.30," r2= "1.80," r3= "4.51," r4= "5.01," igr1= "1160," "1161," &end # # 1841 VAL H 1842 PRO QD 5.22 (# ) &rst ixpk= "0," nxpk= "0," iat= "1202," "-1," r1= "1.30," r2= "1.80," r3= "5.22," r4= "5.72," igr2= "1219," "1220," &end # # 1841 VAL HA 1842 PRO QD 3.29 (# ) &rst ixpk= "0," nxpk= "0," iat= "1204," "-1," r1= "1.30," r2= "1.80," r3= "3.29," r4= "3.79," igr2= "1219," "1220," &end # # 1841 VAL QG1 1842 PRO QD 4.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.07," r4= "4.57," igr1= "1208," "1209," "1210," igr2= "1219," "1220," &end # # 1841 VAL QG2 1842 PRO QD 5.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.92," r4= "6.42," igr1= "1212," "1213," "1214," igr2= "1219," "1220," &end # # 1842 PRO HG- 1843 PHE QB 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "1222," "1223," igr2= "1236," "1237," &end # # 1843 PHE QB 1847 ILE QD1 5.8 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.80," r4= "6.30," igr1= "1236," "1237," igr2= "1308," "1309," "1310," &end # # 1843 PHE QB 3019 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= "1236," "1237," igr2= "1778," "1782," &end # # 1845 LEU H 1845 LEU QB 3.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "1262," "-1," r1= "1.30," r2= "1.80," r3= "3.34," r4= "3.84," igr2= "1266," "1267," &end # # 1845 LEU HA 1848 LYS+ QB 4.02 (# ) &rst ixpk= "0," nxpk= "0," iat= "1264," "-1," r1= "1.30," r2= "1.80," r3= "4.02," r4= "4.52," igr2= "1318," "1319," &end # # 1845 LEU HA 1848 LYS+ QG 5.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "1264," "-1," r1= "1.30," r2= "1.80," r3= "5.52," r4= "6.02," igr2= "1321," "1322," &end # # 1845 LEU QB 1845 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= "1266," "1267," igr2= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1845 LEU QB 1845 LEU QQD 3.9 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.90," r4= "4.40," igr1= "1266," "1267," igr2= "1271," "1272," "1273," "1275," "1276," "1277," &end # # 1845 LEU QB 1846 ASN H 3.69 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1281," r1= "1.30," r2= "1.80," r3= "3.69," r4= "4.19," igr1= "1266," "1267," &end # # 1845 LEU QQD 1848 LYS+ QB 4.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.30," r4= "4.80," igr1= "1271," "1272," "1273," "1275," "1276," "1277," igr2= "1318," "1319," &end # # 1845 LEU QQD 1848 LYS+ QG 5.54 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.54," r4= "6.04," igr1= "1271," "1272," "1273," "1275," "1276," "1277," igr2= "1321," "1322," &end # # 1845 LEU QQD 1848 LYS+ QD 6.48 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.48," r4= "6.98," igr1= "1271," "1272," "1273," "1275," "1276," "1277," igr2= "1324," "1325," &end # # 1846 ASN H 1846 ASN QD2 5.4 (# ) &rst ixpk= "0," nxpk= "0," iat= "1281," "-1," r1= "1.30," r2= "1.80," r3= "5.40," r4= "5.90," igr2= "1290," "1291," &end # # 1847 ILE HA 1847 ILE QG1 3.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "1297," "-1," r1= "1.30," r2= "1.80," r3= "3.96," r4= "4.46," igr2= "1305," "1306," &end # # 1847 ILE HA 1850 LYS+ QB 4.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "1297," "-1," r1= "1.30," r2= "1.80," r3= "4.86," r4= "5.36," igr2= "1358," "1359," &end # # 1847 ILE QG1 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= "1305," "1306," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1847 ILE QG1 3019 PHE QE 5.75 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.75," r4= "6.25," igr1= "1305," "1306," igr2= "1778," "1782," &end # # 1847 ILE QG1 3019 PHE HZ 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1780," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "1305," "1306," &end # # 1847 ILE QG1 3023 TRP HZ3 4.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1847," r1= "1.30," r2= "1.80," r3= "4.64," r4= "5.14," igr1= "1305," "1306," &end # # 1848 LYS+ H 1848 LYS+ QG 4.4 (# ) &rst ixpk= "0," nxpk= "0," iat= "1314," "-1," r1= "1.30," r2= "1.80," r3= "4.40," r4= "4.90," igr2= "1321," "1322," &end # # 1848 LYS+ HA 1848 LYS+ QG 3.36 (# ) &rst ixpk= "0," nxpk= "0," iat= "1316," "-1," r1= "1.30," r2= "1.80," r3= "3.36," r4= "3.86," igr2= "1321," "1322," &end # # 1848 LYS+ HA 1848 LYS+ QD 4.92 (# ) &rst ixpk= "0," nxpk= "0," iat= "1316," "-1," r1= "1.30," r2= "1.80," r3= "4.92," r4= "5.42," igr2= "1324," "1325," &end # # 1848 LYS+ QB 1848 LYS+ HE+ 4.44 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.44," r4= "4.94," igr1= "1318," "1319," igr2= "1327," "1328," &end # # 1848 LYS+ QB 1849 HIS H 4.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1336," r1= "1.30," r2= "1.80," r3= "4.38," r4= "4.88," igr1= "1318," "1319," &end # # 1848 LYS+ QB 1849 HIS HD2 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1350," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "1318," "1319," &end # # 1848 LYS+ QG 1848 LYS+ HE- 4.11 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.11," r4= "4.61," igr1= "1321," "1322," igr2= "1327," "1328," &end # # 1848 LYS+ QG 1849 HIS H 5.4 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1336," r1= "1.30," r2= "1.80," r3= "5.40," r4= "5.90," igr1= "1321," "1322," &end # # 1848 LYS+ QG 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= "1321," "1322," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1850 LYS+ H 1850 LYS+ QB 3.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "1354," "-1," r1= "1.30," r2= "1.80," r3= "3.34," r4= "3.84," igr2= "1358," "1359," &end # # 1850 LYS+ H 1850 LYS+ QG 5.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "1354," "-1," r1= "1.30," r2= "1.80," r3= "5.46," r4= "5.96," igr2= "1361," "1362," &end # # 1850 LYS+ QB 1850 LYS+ QE 6.56 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.56," r4= "7.06," igr1= "1358," "1359," igr2= "1367," "1368," &end # # 1850 LYS+ QB 1851 LEU H 3.95 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1376," r1= "1.30," r2= "1.80," r3= "3.95," r4= "4.45," igr1= "1358," "1359," &end # # 1850 LYS+ QB 1851 LEU QQD 6.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.83," r4= "7.33," igr1= "1358," "1359," igr2= "1385," "1386," "1387," "1389," "1390," "1391," &end # # 1850 LYS+ QB 3020 SER HA 6.29 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1790," r1= "1.30," r2= "1.80," r3= "6.29," r4= "6.79," igr1= "1358," "1359," &end # # 1850 LYS+ QB 3023 TRP HH2 5.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1845," r1= "1.30," r2= "1.80," r3= "5.98," r4= "6.48," igr1= "1358," "1359," &end # # 1850 LYS+ QG 3020 SER QB 6.8 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.80," r4= "7.30," igr1= "1361," "1362," igr2= "1792," "1793," &end # # 1852 ARG+ H 1852 ARG+ QG 4.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "1395," "-1," r1= "1.30," r2= "1.80," r3= "4.98," r4= "5.48," igr2= "1402," "1403," &end # # 1852 ARG+ HA 1852 ARG+ QG 3.89 (# ) &rst ixpk= "0," nxpk= "0," iat= "1397," "-1," r1= "1.30," r2= "1.80," r3= "3.89," r4= "4.39," igr2= "1402," "1403," &end # # 1853 GLN HA 1853 GLN QE2 5.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "1421," "-1," r1= "1.30," r2= "1.80," r3= "5.12," r4= "5.62," igr2= "1431," "1432," &end # # 1853 GLN QB 1853 GLN QE2 5.15 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.15," r4= "5.65," igr1= "1423," "1424," igr2= "1431," "1432," &end # # 1854 GLN H 1854 GLN QB 3.89 (# ) &rst ixpk= "0," nxpk= "0," iat= "1436," "-1," r1= "1.30," r2= "1.80," r3= "3.89," r4= "4.39," igr2= "1440," "1441," &end # # 1854 GLN QB 3023 TRP HZ2 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1843," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "1440," "1441," &end # # 1854 GLN QG 1854 GLN QE2 3.83 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.83," r4= "4.33," igr1= "1443," "1444," igr2= "1448," "1449," &end # # 1855 GLN HA 1855 GLN QB 2.84 (# ) &rst ixpk= "0," nxpk= "0," iat= "1455," "-1," r1= "1.30," r2= "1.80," r3= "2.84," r4= "3.34," igr2= "1457," "1458," &end # # 1855 GLN QB 1855 GLN QE2 4.15 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.15," r4= "4.65," igr1= "1457," "1458," igr2= "1465," "1466," &end # # 1855 GLN QB 2001 GLY H 4.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1470," r1= "1.30," r2= "1.80," r3= "4.97," r4= "5.47," igr1= "1457," "1458," &end # # 1855 GLN QB 2001 GLY QA 6.01 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.01," r4= "6.51," igr1= "1457," "1458," igr2= "1472," "1473," &end # # 3002 GLU- H 3002 GLU- QB 3.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "1524," "-1," r1= "1.30," r2= "1.80," r3= "3.86," r4= "4.36," igr2= "1528," "1529," &end # # 3002 GLU- HA 3002 GLU- QG 3.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "1526," "-1," r1= "1.30," r2= "1.80," r3= "3.98," r4= "4.48," igr2= "1531," "1532," &end # # 3002 GLU- QB 3003 GLU- H 3.76 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1539," r1= "1.30," r2= "1.80," r3= "3.76," r4= "4.26," igr1= "1528," "1529," &end # # 3003 GLU- H 3004 PRO QD 5.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "1539," "-1," r1= "1.30," r2= "1.80," r3= "5.46," r4= "5.96," igr2= "1555," "1556," &end # # 3003 GLU- HA 3004 PRO QD 3.05 (# ) &rst ixpk= "0," nxpk= "0," iat= "1541," "-1," r1= "1.30," r2= "1.80," r3= "3.05," r4= "3.55," igr2= "1555," "1556," &end # # 3003 GLU- HB- 3004 PRO QD 5.04 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.04," r4= "5.54," igr1= "1543," "1544," igr2= "1555," "1556," &end # # 3003 GLU- HB+ 3004 PRO QD 4.59 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.59," r4= "5.09," igr1= "1543," "1544," igr2= "1555," "1556," &end # # 3003 GLU- QG 3004 PRO QD 4.95 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.95," r4= "5.45," igr1= "1546," "1547," igr2= "1555," "1556," &end # # 3004 PRO QD 3005 GLN H 5.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1568," r1= "1.30," r2= "1.80," r3= "5.30," r4= "5.80," igr1= "1555," "1556," &end # # 3005 GLN H 3005 GLN QB 3.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "1568," "-1," r1= "1.30," r2= "1.80," r3= "3.85," r4= "4.35," igr2= "1572," "1573," &end # # 3005 GLN H 3005 GLN QE2 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "1568," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr2= "1580," "1581," &end # # 3005 GLN HA 3005 GLN QE2 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "1570," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr2= "1580," "1581," &end # # 3005 GLN QB 3005 GLN QE2 4.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.60," r4= "5.10," igr1= "1572," "1573," igr2= "1580," "1581," &end # # 3005 GLN QB 3006 SER H 4.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1585," r1= "1.30," r2= "1.80," r3= "4.30," r4= "4.80," igr1= "1572," "1573," &end # # 3005 GLN QG 3005 GLN QE2 4.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.07," r4= "4.57," igr1= "1575," "1576," igr2= "1580," "1581," &end # # 3005 GLN QE2 3006 SER H 5.88 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1585," r1= "1.30," r2= "1.80," r3= "5.88," r4= "6.38," igr1= "1580," "1581," &end # # 3007 ASP- H 3007 ASP- QB 3.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "1596," "-1," r1= "1.30," r2= "1.80," r3= "3.55," r4= "4.05," igr2= "1600," "1601," &end # # 3007 ASP- QB 3008 PRO HD+ 5.24 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.24," r4= "5.74," igr1= "1600," "1601," igr2= "1609," "1610," &end # # 3007 ASP- QB 3009 SER H 5.25 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1622," r1= "1.30," r2= "1.80," r3= "5.25," r4= "5.75," igr1= "1600," "1601," &end # # 3007 ASP- QB 3010 VAL H 4.94 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1633," r1= "1.30," r2= "1.80," r3= "4.94," r4= "5.44," igr1= "1600," "1601," &end # # 3007 ASP- QB 3010 VAL HB 5.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1637," r1= "1.30," r2= "1.80," r3= "5.34," r4= "5.84," igr1= "1600," "1601," &end # # 3007 ASP- QB 3010 VAL QG1 4.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.72," r4= "5.22," igr1= "1600," "1601," igr2= "1639," "1640," "1641," &end # # 3011 GLU- H 3011 GLU- QB 3.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "1649," "-1," r1= "1.30," r2= "1.80," r3= "3.61," r4= "4.11," igr2= "1653," "1654," &end # # 3011 GLU- H 3012 PRO QD 4.95 (# ) &rst ixpk= "0," nxpk= "0," iat= "1649," "-1," r1= "1.30," r2= "1.80," r3= "4.95," r4= "5.45," igr2= "1665," "1666," &end # # 3011 GLU- HA 3012 PRO QD 4.03 (# ) &rst ixpk= "0," nxpk= "0," iat= "1651," "-1," r1= "1.30," r2= "1.80," r3= "4.03," r4= "4.53," igr2= "1665," "1666," &end # # 3011 GLU- QG 3012 PRO QD 5.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.85," r4= "6.35," igr1= "1656," "1657," igr2= "1665," "1666," &end # # 3012 PRO QB 3013 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= "1671," "1672," igr2= "1679," "1680," &end # # 3019 PHE QB 3022 LEU QQD 7.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.66," r4= "8.16," igr1= "1772," "1773," igr2= "1820," "1821," "1822," "1824," "1825," "1826," &end # # 3015 SER HA 3014 LEU QQD 6.82 (# ) &rst ixpk= "0," nxpk= "0," iat= "1713," "-1," r1= "1.30," r2= "1.80," r3= "6.82," r4= "7.32," igr2= "1701," "1702," "1703," "1705," "1706," "1707," &end # # 3021 ASP- HB+ 3024 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= "1803," "1804," igr2= "1867," "1868," &end # # 3022 LEU H 3022 LEU QB 3.82 (# ) &rst ixpk= "0," nxpk= "0," iat= "1811," "-1," r1= "1.30," r2= "1.80," r3= "3.82," r4= "4.32," igr2= "1815," "1816," &end # # 3022 LEU QB 3023 TRP H 5.9 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1830," r1= "1.30," r2= "1.80," r3= "5.90," r4= "6.40," igr1= "1815," "1816," &end # # 3022 LEU QB 3025 LEU HB- 5.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.93," r4= "6.43," igr1= "1815," "1816," igr2= "1880," "1881," &end # # 3022 LEU QB 3025 LEU QQD 5.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.34," r4= "5.84," igr1= "1815," "1816," igr2= "1885," "1886," "1887," "1889," "1890," "1891," &end # # 3022 LEU QQD 3023 TRP HZ3 6.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1847," r1= "1.30," r2= "1.80," r3= "6.66," r4= "7.16," igr1= "1820," "1821," "1822," "1824," "1825," "1826," &end # # 3024 LYS+ H 3024 LYS+ QE 5.98 (# ) &rst ixpk= "0," nxpk= "0," iat= "1854," "-1," r1= "1.30," r2= "1.80," r3= "5.98," r4= "6.48," igr2= "1867," "1868," &end # # 3026 LEU HA 3027 PRO QG 4.82 (# ) &rst ixpk= "0," nxpk= "0," iat= "1897," "-1," r1= "1.30," r2= "1.80," r3= "4.82," r4= "5.32," igr2= "1918," "1919," &end # # 3026 LEU HA 3027 PRO QD 3.09 (# ) &rst ixpk= "0," nxpk= "0," iat= "1897," "-1," r1= "1.30," r2= "1.80," r3= "3.09," r4= "3.59," igr2= "1915," "1916," &end # # 3026 LEU QB 3027 PRO QD 5.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.32," r4= "5.82," igr1= "1899," "1900," igr2= "1915," "1916," &end # # 3026 LEU QB 3027 PRO QD 4.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.66," r4= "5.16," igr1= "1899," "1900," igr2= "1915," "1916," &end # # 3026 LEU HG 3027 PRO QD 5.54 (# ) &rst ixpk= "0," nxpk= "0," iat= "1902," "-1," r1= "1.30," r2= "1.80," r3= "5.54," r4= "6.04," igr2= "1915," "1916," &end # # 3026 LEU QQD 3027 PRO QD 6.44 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.44," r4= "6.94," igr1= "1904," "1905," "1906," "1908," "1909," "1910," igr2= "1915," "1916," &end # # 3027 PRO HA 3030 ASN QB 5.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "1924," "-1," r1= "1.30," r2= "1.80," r3= "5.96," r4= "6.46," igr2= "1961," "1962," &end # # 3027 PRO QB 3028 GLU- H 4.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1928," r1= "1.30," r2= "1.80," r3= "4.14," r4= "4.64," igr1= "1921," "1922," &end # # 3027 PRO QB 3029 ASN H 5.11 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1943," r1= "1.30," r2= "1.80," r3= "5.11," r4= "5.61," igr1= "1921," "1922," &end # # 3027 PRO QB 3030 ASN HA 5.97 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1959," r1= "1.30," r2= "1.80," r3= "5.97," r4= "6.47," igr1= "1921," "1922," &end # # 3027 PRO QG 3030 ASN QB 4.54 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.54," r4= "5.04," igr1= "1918," "1919," igr2= "1961," "1962," &end # # 1845 LEU QQD 1848 LYS+ HG+ 5.21 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.21," r4= "5.71," igr1= "1271," "1272," "1273," "1275," "1276," "1277," igr2= "1321," "1322," &end # # 3027 PRO QD 3030 ASN QB 6 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.00," r4= "6.50," igr1= "1915," "1916," igr2= "1961," "1962," &end # # 3030 ASN HA 3030 ASN QB 3 (# ) &rst ixpk= "0," nxpk= "0," iat= "1959," "-1," r1= "1.30," r2= "1.80," r3= "3.00," r4= "3.50," igr2= "1961," "1962," &end # # 3030 ASN HA 3033 SER QB 4.67 (# ) &rst ixpk= "0," nxpk= "0," iat= "1959," "-1," r1= "1.30," r2= "1.80," r3= "4.67," r4= "5.17," igr2= "2010," "2011," &end # # 3030 ASN QB 3030 ASN QD2 3.86 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.86," r4= "4.36," igr1= "1961," "1962," igr2= "1966," "1967," &end # # 3030 ASN QB 3031 VAL H 4.25 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1971," r1= "1.30," r2= "1.80," r3= "4.25," r4= "4.75," igr1= "1961," "1962," &end # # 3030 ASN QB 3031 VAL HA 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1973," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "1961," "1962," &end # # 3030 ASN QB 3033 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= "1961," "1962," igr2= "2010," "2011," &end # # 3030 ASN QD2 3031 VAL QQG 6.81 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.81," r4= "7.31," igr1= "1966," "1967," igr2= "1977," "1978," "1979," "1981," "1982," "1983," &end # # 3032 LEU HA 3032 LEU QQD 3.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "1989," "-1," r1= "1.30," r2= "1.80," r3= "3.73," r4= "4.23," igr2= "1996," "1997," "1998," "2000," "2001," "2002," &end # # 3032 LEU HB+ 3032 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= "1991," "1992," igr2= "1996," "1997," "1998," "2000," "2001," "2002," &end # # 3033 SER QB 3034 PRO QG 6.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.73," r4= "7.23," igr1= "2010," "2011," igr2= "2021," "2022," &end # # 3035 LEU H 3036 PRO QD 5.26 (# ) &rst ixpk= "0," nxpk= "0," iat= "2031," "-1," r1= "1.30," r2= "1.80," r3= "5.26," r4= "5.76," igr2= "2051," "2052," &end # # 3035 LEU HA 3036 PRO QD 2.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "2033," "-1," r1= "1.30," r2= "1.80," r3= "2.87," r4= "3.37," igr2= "2051," "2052," &end # # 3035 LEU QB 3038 GLN QE2 6.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.46," r4= "6.96," igr1= "2035," "2036," igr2= "2087," "2088," &end # # 3035 LEU HG 3037 SER QB 5.4 (# ) &rst ixpk= "0," nxpk= "0," iat= "2038," "-1," r1= "1.30," r2= "1.80," r3= "5.40," r4= "5.90," igr2= "2068," "2069," &end # # 1786 CYS- QB 1783 ALA QB 5.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.23," r4= "5.73," igr1= "361," "360," igr2= "322," "323," "324," &end # # 3035 LEU HG 3038 GLN QE2 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "2038," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr2= "2087," "2088," &end # # 3035 LEU QQD 3037 SER QB 6.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.64," r4= "7.14," igr1= "2040," "2041," "2042," "2044," "2045," "2046," igr2= "2068," "2069," &end # # 3035 LEU QQD 3038 GLN QE2 8.08 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "8.08," r4= "8.58," igr1= "2040," "2041," "2042," "2044," "2045," "2046," igr2= "2087," "2088," &end # # 3035 LEU QQD 3036 PRO QD 5.9 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.90," r4= "6.40," igr1= "2040," "2041," "2042," "2044," "2045," "2046," igr2= "2051," "2052," &end # # 3035 LEU QQD 3038 GLN QB 5.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.55," r4= "6.05," igr1= "2040," "2041," "2042," "2044," "2045," "2046," igr2= "2079," "2080," &end # # 3035 LEU QQD 3038 GLN QE2 6.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.46," r4= "6.96," igr1= "2040," "2041," "2042," "2044," "2045," "2046," igr2= "2087," "2088," &end # # 3036 PRO QB 3037 SER H 4.59 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2064," r1= "1.30," r2= "1.80," r3= "4.59," r4= "5.09," igr1= "2057," "2058," &end # # 3037 SER H 3037 SER QB 3.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "2064," "-1," r1= "1.30," r2= "1.80," r3= "3.93," r4= "4.43," igr2= "2068," "2069," &end # # 3037 SER HA 3037 SER QB 2.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "2066," "-1," r1= "1.30," r2= "1.80," r3= "2.93," r4= "3.43," igr2= "2068," "2069," &end # # 3037 SER QB 3038 GLN H 4.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2075," r1= "1.30," r2= "1.80," r3= "4.96," r4= "5.46," igr1= "2068," "2069," &end # # 3038 GLN H 3038 GLN QB 3.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "2075," "-1," r1= "1.30," r2= "1.80," r3= "3.72," r4= "4.22," igr2= "2079," "2080," &end # # 3038 GLN H 3038 GLN QE2 6.11 (# ) &rst ixpk= "0," nxpk= "0," iat= "2075," "-1," r1= "1.30," r2= "1.80," r3= "6.11," r4= "6.61," igr2= "2087," "2088," &end # # 3038 GLN QE2 3039 ALA H 5.43 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2092," r1= "1.30," r2= "1.80," r3= "5.43," r4= "5.93," igr1= "2087," "2088," &end # # 3039 ALA QB 3040 MET QG 7.63 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.63," r4= "8.13," igr1= "2096," "2097," "2098," igr2= "2109," "2110," &end # # 3040 MET H 3040 MET QG 4.39 (# ) &rst ixpk= "0," nxpk= "0," iat= "2102," "-1," r1= "1.30," r2= "1.80," r3= "4.39," r4= "4.89," igr2= "2109," "2110," &end # # 3040 MET QB 3041 ASP- H 4.22 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2119," r1= "1.30," r2= "1.80," r3= "4.22," r4= "4.72," igr1= "2106," "2107," &end # # 3040 MET QG 3040 MET QE 4.57 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.57," r4= "5.07," igr1= "2109," "2110," igr2= "2113," "2114," "2115," &end # # 3042 ASP- QB 3045 LEU QB 6.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.07," r4= "6.57," igr1= "2135," "2136," igr2= "2183," "2184," &end # # 3042 ASP- HA 3045 LEU QB 4 (# ) &rst ixpk= "0," nxpk= "0," iat= "2133," "-1," r1= "1.30," r2= "1.80," r3= "4.00," r4= "4.50," igr2= "2183," "2184," &end # # 3045 LEU QB 3045 LEU QQD 4.52 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.52," r4= "5.02," igr1= "2183," "2184," igr2= "2188," "2189," "2190," "2192," "2193," "2194," &end # # 3045 LEU QB 3045 LEU QQD 4.27 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.27," r4= "4.77," igr1= "2183," "2184," igr2= "2188," "2189," "2190," "2192," "2193," "2194," &end # # 3045 LEU QB 3053 TRP HZ2 5.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2311," r1= "1.30," r2= "1.80," r3= "5.72," r4= "6.22," igr1= "2183," "2184," &end # # 3045 LEU QB 3053 TRP HH2 5.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2313," r1= "1.30," r2= "1.80," r3= "5.32," r4= "5.82," igr1= "2183," "2184," &end # # 3047 PRO QB 3048 ASP- H 4.62 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2223," r1= "1.30," r2= "1.80," r3= "4.62," r4= "5.12," igr1= "2216," "2217," &end # # 3048 ASP- H 3048 ASP- QB 3.66 (# ) &rst ixpk= "0," nxpk= "0," iat= "2223," "-1," r1= "1.30," r2= "1.80," r3= "3.66," r4= "4.16," igr2= "2227," "2228," &end # # 3048 ASP- QB 3049 ASP- H 4.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2235," r1= "1.30," r2= "1.80," r3= "4.07," r4= "4.57," igr1= "2227," "2228," &end # # 3049 ASP- H 3049 ASP- QB 4 (# ) &rst ixpk= "0," nxpk= "0," iat= "2235," "-1," r1= "1.30," r2= "1.80," r3= "4.00," r4= "4.50," igr2= "2239," "2240," &end # # 3049 ASP- QB 3052 GLN H 5.77 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2281," r1= "1.30," r2= "1.80," r3= "5.77," r4= "6.27," igr1= "2239," "2240," &end # # 3049 ASP- QB 3052 GLN QB 5.63 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.63," r4= "6.13," igr1= "2239," "2240," igr2= "2285," "2286," &end # # 3049 ASP- QB 3052 GLN QE2 5.78 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.78," r4= "6.28," igr1= "2239," "2240," igr2= "2293," "2294," &end # # 3049 ASP- QB 3053 TRP H 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2298," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr1= "2239," "2240," &end # # 3049 ASP- QB 3053 TRP HE1 4.56 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2308," r1= "1.30," r2= "1.80," r3= "4.56," r4= "5.06," igr1= "2239," "2240," &end # # 3050 ILE QG2 3051 GLU- QG 7.39 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.39," r4= "7.89," igr1= "2253," "2254," "2255," igr2= "2273," "2274," &end # # 3051 GLU- H 3051 GLU- QB 4.02 (# ) &rst ixpk= "0," nxpk= "0," iat= "2266," "-1," r1= "1.30," r2= "1.80," r3= "4.02," r4= "4.52," igr2= "2270," "2271," &end # # 3051 GLU- H 3051 GLU- QG 4.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "2266," "-1," r1= "1.30," r2= "1.80," r3= "4.79," r4= "5.29," igr2= "2273," "2274," &end # # 3051 GLU- 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= "2270," "2271," igr2= "2330," "2338," &end # # 3051 GLU- QB 3055 THR HB 5.02 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2346," r1= "1.30," r2= "1.80," r3= "5.02," r4= "5.52," igr1= "2270," "2271," &end # # 3051 GLU- QB 3055 THR QG2 5.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.55," r4= "6.05," igr1= "2270," "2271," igr2= "2348," "2349," "2350," &end # # 3051 GLU- QG 3054 PHE QD 7.11 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.11," r4= "7.61," igr1= "2273," "2274," igr2= "2330," "2338," &end # # 3051 GLU- QG 3055 THR HB 5.58 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2346," r1= "1.30," r2= "1.80," r3= "5.58," r4= "6.08," igr1= "2273," "2274," &end # # 3051 GLU- QG 3055 THR QG2 5.69 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.69," r4= "6.19," igr1= "2273," "2274," igr2= "2348," "2349," "2350," &end # # 3056 GLU- H 3056 GLU- QG 4.69 (# ) &rst ixpk= "0," nxpk= "0," iat= "2356," "-1," r1= "1.30," r2= "1.80," r3= "4.69," r4= "5.19," igr2= "2363," "2364," &end # # 3056 GLU- HA 3056 GLU- QG 3.87 (# ) &rst ixpk= "0," nxpk= "0," iat= "2358," "-1," r1= "1.30," r2= "1.80," r3= "3.87," r4= "4.37," igr2= "2363," "2364," &end # # 3057 ASP- H 3057 ASP- QB 3.1 (# ) &rst ixpk= "0," nxpk= "0," iat= "2371," "-1," r1= "1.30," r2= "1.80," r3= "3.10," r4= "3.60," igr2= "2375," "2376," &end # # 3057 ASP- H 3058 PRO QD 5.63 (# ) &rst ixpk= "0," nxpk= "0," iat= "2371," "-1," r1= "1.30," r2= "1.80," r3= "5.63," r4= "6.13," igr2= "2384," "2385," &end # # 3057 ASP- HA 3058 PRO QG 4.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "2373," "-1," r1= "1.30," r2= "1.80," r3= "4.73," r4= "5.23," igr2= "2387," "2388," &end # # 3057 ASP- HA 3058 PRO QD 3.14 (# ) &rst ixpk= "0," nxpk= "0," iat= "2373," "-1," r1= "1.30," r2= "1.80," r3= "3.14," r4= "3.64," igr2= "2384," "2385," &end # # 3057 ASP- QB 3058 PRO QD 4.89 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.89," r4= "5.39," igr1= "2375," "2376," igr2= "2384," "2385," &end # # 3058 PRO QB 3059 GLY H 4 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2397," r1= "1.30," r2= "1.80," r3= "4.00," r4= "4.50," igr1= "2390," "2391," &end # # 3059 GLY H 3060 PRO QD 5.76 (# ) &rst ixpk= "0," nxpk= "0," iat= "2397," "-1," r1= "1.30," r2= "1.80," r3= "5.76," r4= "6.26," igr2= "2405," "2406," &end # # 3059 GLY QA 3060 PRO QG 6.21 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.21," r4= "6.71," igr1= "2399," "2400," igr2= "2408," "2409," &end # # 3059 GLY QA 3060 PRO QD 3.38 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "3.38," r4= "3.88," igr1= "2399," "2400," igr2= "2405," "2406," &end # # 3060 PRO QB 3061 ASP- H 4.24 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2418," r1= "1.30," r2= "1.80," r3= "4.24," r4= "4.74," igr1= "2411," "2412," &end # # 3060 PRO QD 3061 ASP- H 3.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2418," r1= "1.30," r2= "1.80," r3= "3.93," r4= "4.43," igr1= "2405," "2406," &end # # 3061 ASP- H 3061 ASP- QB 3.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "2418," "-1," r1= "1.30," r2= "1.80," r3= "3.20," r4= "3.70," igr2= "2422," "2423," &end # # 1816 GLY H 1817 CYS- H 4.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "827," "834," r1= "1.30," r2= "1.80," r3= "4.13," r4= "4.63," &end # # 1816 GLY H 1814 ASN HB+ 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "827," "-1," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," igr2= "810," "811," &end # # 1816 GLY H 1817 CYS- QB 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "827," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "839," "838," &end # # 1793 LEU H 1796 CYSZ QB 4.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "449," "-1," r1= "1.30," r2= "1.80," r3= "4.93," r4= "5.43," igr2= "498," "497," &end # # 1793 LEU H 1793 LEU QQD 5.45 (# ) &rst ixpk= "0," nxpk= "0," iat= "449," "-1," r1= "1.30," r2= "1.80," r3= "5.45," r4= "5.95," igr2= "458," "459," "460," "462," "463," "464," &end # # 1841 VAL H 1844 CYSZ QB 5.26 (# ) &rst ixpk= "0," nxpk= "0," iat= "1202," "-1," r1= "1.30," r2= "1.80," r3= "5.26," r4= "5.76," igr2= "1257," "1256," &end # # 1834 CYS- H 1848 LYS+ QE 5.44 (# ) &rst ixpk= "0," nxpk= "0," iat= "1100," "-1," r1= "1.30," r2= "1.80," r3= "5.44," r4= "5.94," igr2= "1327," "1328," &end # # 1786 CYS- H 1784 CYS QB 6.35 (# ) &rst ixpk= "0," nxpk= "0," iat= "356," "-1," r1= "1.30," r2= "1.80," r3= "6.35," r4= "6.85," igr2= "332," "333," &end # # 1791 CYS- H 1797 GLN QE2 6.02 (# ) &rst ixpk= "0," nxpk= "0," iat= "428," "-1," r1= "1.30," r2= "1.80," r3= "6.02," r4= "6.52," igr2= "515," "516," &end # # 1809 CYS- H 1805 HIS HE1 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "714," "664," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1820 CYSZ H 3025 LEU QQD 7.25 (# ) &rst ixpk= "0," nxpk= "0," iat= "874," "-1," r1= "1.30," r2= "1.80," r3= "7.25," r4= "7.75," igr2= "1885," "1886," "1887," "1889," "1890," "1891," &end # # 1836 GLU- H 1835 GLN QG 3.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "1127," "-1," r1= "1.30," r2= "1.80," r3= "3.85," r4= "4.35," igr2= "1117," "1118," &end # # 1833 HIS H 1830 HIS HA 4.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "1082," "1035," r1= "1.30," r2= "1.80," r3= "4.61," r4= "5.11," &end # # 1822 GLN H 1819 VAL HA 5.13 (# ) &rst ixpk= "0," nxpk= "0," iat= "906," "860," r1= "1.30," r2= "1.80," r3= "5.13," r4= "5.63," &end # # 1845 LEU H 1839 CYS- H 5.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "1262," "1178," r1= "1.30," r2= "1.80," r3= "5.20," r4= "5.70," &end # # 1768 SER H 1767 GLU- QB 3.91 (# ) &rst ixpk= "0," nxpk= "0," iat= "59," "-1," r1= "1.30," r2= "1.80," r3= "3.91," r4= "4.41," igr2= "48," "49," &end # # 1768 SER H 1771 LEU QB 5.81 (# ) &rst ixpk= "0," nxpk= "0," iat= "59," "-1," r1= "1.30," r2= "1.80," r3= "5.81," r4= "6.31," igr2= "122," "123," &end # # 1784 CYS H 1780 LEU QQD 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "328," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr2= "275," "276," "277," "279," "280," "281," &end # # 3055 THR H 3053 TRP QB 5.4 (# ) &rst ixpk= "0," nxpk= "0," iat= "2342," "-1," r1= "1.30," r2= "1.80," r3= "5.40," r4= "5.90," igr2= "2302," "2303," &end # # 1802 VAL H 1800 LYS+ HB+ 5.44 (# ) &rst ixpk= "0," nxpk= "0," iat= "605," "-1," r1= "1.30," r2= "1.80," r3= "5.44," r4= "5.94," igr2= "563," "564," &end # # 1830 HIS H 1828 CYS HA 5.27 (# ) &rst ixpk= "0," nxpk= "0," iat= "1033," "1003," r1= "1.30," r2= "1.80," r3= "5.27," r4= "5.77," &end # # 1830 HIS H 1826 LEU HG 4.71 (# ) &rst ixpk= "0," nxpk= "0," iat= "1033," "978," r1= "1.30," r2= "1.80," r3= "4.71," r4= "5.21," &end # # 1797 GLN H 1795 SER HA 4.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "503," "484," r1= "1.30," r2= "1.80," r3= "4.85," r4= "5.35," &end # # 3054 PHE H 1798 LYS+ QE 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "2322," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "533," "534," &end # # 1846 ASN H 1848 LYS+ QB 5.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "1281," "-1," r1= "1.30," r2= "1.80," r3= "5.61," r4= "6.11," igr2= "1318," "1319," &end # # 1846 ASN H 1849 HIS HD2 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1281," "1350," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 3023 TRP H 3022 LEU QQD 5.68 (# ) &rst ixpk= "0," nxpk= "0," iat= "1830," "-1," r1= "1.30," r2= "1.80," r3= "5.68," r4= "6.18," igr2= "1820," "1821," "1822," "1824," "1825," "1826," &end # # 3023 TRP H 3020 SER HA 4.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1830," "1790," r1= "1.30," r2= "1.80," r3= "4.50," r4= "5.00," &end # # 1849 HIS H 1852 ARG+ QB 5.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "1336," "-1," r1= "1.30," r2= "1.80," r3= "5.34," r4= "5.84," igr2= "1399," "1400," &end # # 3006 SER H 3006 SER HA 3.46 (# ) &rst ixpk= "0," nxpk= "0," iat= "1585," "1587," r1= "1.30," r2= "1.80," r3= "3.46," r4= "3.96," &end # # 3006 SER H 3006 SER QB 4.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "1585," "-1," r1= "1.30," r2= "1.80," r3= "4.32," r4= "4.82," igr2= "1589," "1590," &end # # 3006 SER H 3005 GLN QB 5.7 (# ) &rst ixpk= "0," nxpk= "0," iat= "1585," "-1," r1= "1.30," r2= "1.80," r3= "5.70," r4= "6.20," igr2= "1572," "1573," &end # # 1798 LYS+ H 1801 ARG+ QD 5.68 (# ) &rst ixpk= "0," nxpk= "0," iat= "520," "-1," r1= "1.30," r2= "1.80," r3= "5.68," r4= "6.18," igr2= "591," "592," &end # # 1825 ALA H 1823 LEU HA 5.23 (# ) &rst ixpk= "0," nxpk= "0," iat= "961," "925," r1= "1.30," r2= "1.80," r3= "5.23," r4= "5.73," &end # # 1773 ILE H 1776 CYS QB 5.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "148," "-1," r1= "1.30," r2= "1.80," r3= "5.74," r4= "6.24," igr2= "212," "213," &end # # 1788 ASN H 1787 ARG+ QD 5.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "390," "-1," r1= "1.30," r2= "1.80," r3= "5.93," r4= "6.43," igr2= "376," "377," &end # # 3005 GLN H 3007 ASP- QB 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "1568," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "1600," "1601," &end # # 1775 ARG+ H 1773 ILE HB 5.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "184," "152," r1= "1.30," r2= "1.80," r3= "5.50," r4= "6.00," &end # # 1771 LEU H 1767 GLU- QB 5.89 (# ) &rst ixpk= "0," nxpk= "0," iat= "118," "-1," r1= "1.30," r2= "1.80," r3= "5.89," r4= "6.39," igr2= "48," "49," &end # # 1778 GLN H 1776 CYS QB 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "238," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "212," "213," &end # # 1774 GLN H 1776 CYS QB 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "167," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "212," "213," &end # # 3051 GLU- H 3048 ASP- HA 4.77 (# ) &rst ixpk= "0," nxpk= "0," iat= "2266," "2225," r1= "1.30," r2= "1.80," r3= "4.77," r4= "5.27," &end # # 1850 LYS+ H 1847 ILE QG2 5.76 (# ) &rst ixpk= "0," nxpk= "0," iat= "1354," "-1," r1= "1.30," r2= "1.80," r3= "5.76," r4= "6.26," igr2= "1301," "1302," "1303," &end # # 1801 ARG+ H 1800 LYS+ HB+ 4.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "581," "-1," r1= "1.30," r2= "1.80," r3= "4.51," r4= "5.01," igr2= "563," "564," &end # # 1804 GLN H 1801 ARG+ HA 4.19 (# ) &rst ixpk= "0," nxpk= "0," iat= "637," "583," r1= "1.30," r2= "1.80," r3= "4.19," r4= "4.69," &end # # 3029 GLN H 3028 GLU- HA 4.5 (# ) &rst ixpk= "0," nxpk= "0," iat= "1943," "1930," r1= "1.30," r2= "1.80," r3= "4.50," r4= "5.00," &end # # 1827 CYS H 1823 LEU QB 6.73 (# ) &rst ixpk= "0," nxpk= "0," iat= "990," "-1," r1= "1.30," r2= "1.80," r3= "6.73," r4= "7.23," igr2= "927," "928," &end # # 1846 ASN QD2 1850 LYS+ HB- 5.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.85," r4= "6.35," igr1= "1290," "1291," igr2= "1358," "1359," &end # # 3052 GLN QE2 3055 THR QG2 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "2293," "2294," igr2= "2348," "2349," "2350," &end # # 1797 GLN QE2 1791 CYS- QB 5.39 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.39," r4= "5.89," igr1= "515," "516," igr2= "433," "432," &end # # 1785 GLN QE2 1782 HIS QB 6.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.93," r4= "7.43," igr1= "351," "352," igr2= "305," "306," &end # # 1854 GLN QE2 1850 LYS+ QE 6.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.93," r4= "7.43," igr1= "1448," "1449," igr2= "1367," "1368," &end # # 1785 GLN QE2 1781 VAL QQG 6.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.96," r4= "7.46," igr1= "351," "352," igr2= "291," "292," "293," "295," "296," "297," &end # # 1807 LYS+ H 1803 VAL H 6.15 (# ) &rst ixpk= "0," nxpk= "0," iat= "685," "621," r1= "1.30," r2= "1.80," r3= "6.15," r4= "6.65," &end # # 3011 GLU- H 3012 PRO QD 5.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "1649," "-1," r1= "1.30," r2= "1.80," r3= "5.20," r4= "5.70," igr2= "1665," "1666," &end # # 1793 LEU QQD 1794 PRO QD 4.77 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "4.77," r4= "5.27," igr1= "458," "459," "460," "462," "463," "464," igr2= "469," "470," &end # # 1820 CYSZ HB- 3025 LEU QQD 5.27 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.27," r4= "5.77," igr1= "879," "878," igr2= "1885," "1886," "1887," "1889," "1890," "1891," &end # # 1817 CYS- HB- 3025 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= "839," "838," igr2= "1885," "1886," "1887," "1889," "1890," "1891," &end # # 1782 HIS HD2 1782 HIS QB 4.6 (# ) &rst ixpk= "0," nxpk= "0," iat= "314," "-1," r1= "1.30," r2= "1.80," r3= "4.60," r4= "5.10," igr2= "305," "306," &end # # 1806 THR QG2 3022 LEU QQD 7.67 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.67," r4= "8.17," igr1= "677," "678," "679," igr2= "1820," "1821," "1822," "1824," "1825," "1826," &end # # 1813 THR HB 3025 LEU QQD 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "796," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr2= "1885," "1886," "1887," "1889," "1890," "1891," &end # # 1842 PRO HA 1780 LEU QQD 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "1228," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr2= "275," "276," "277," "279," "280," "281," &end # # 1829 TYR QB 3043 LEU QQD 8.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "8.32," r4= "8.82," igr1= "1016," "1017," igr2= "2152," "2153," "2154," "2156," "2157," "2158," &end # # 3053 TRP QB 3049 ASP- QB 6.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.30," r4= "6.80," igr1= "2302," "2303," igr2= "2239," "2240," &end # # 3053 TRP HA 3053 TRP HE3 5.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "2300," "2317," r1= "1.30," r2= "1.80," r3= "5.20," r4= "5.70," &end # # 1823 LEU QQD 1802 VAL QG1 5.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.12," r4= "5.62," igr1= "932," "933," "934," "936," "937," "938," igr2= "611," "612," "613," &end # # 1773 ILE QD1 3053 TRP HZ2 6.85 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2311," r1= "1.30," r2= "1.80," r3= "6.85," r4= "7.35," igr1= "161," "162," "163," &end # # 1765 PRO HA 1768 SER QB 3.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "23," "-1," r1= "1.30," r2= "1.80," r3= "3.64," r4= "4.14," igr2= "63," "64," &end # # 3044 MET QE 3053 TRP HZ2 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2311," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "2173," "2174," "2175," &end # # 3040 MET QE 3040 MET HA 5.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2104," r1= "1.30," r2= "1.80," r3= "5.72," r4= "6.22," igr1= "2113," "2114," "2115," &end # # 1843 PHE QD 1780 LEU QQD 8.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "8.32," r4= "8.82," igr1= "1240," "1248," igr2= "275," "276," "277," "279," "280," "281," &end # # 1843 PHE QE 3022 LEU QQD 6.81 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.81," r4= "7.31," igr1= "1242," "1246," igr2= "1820," "1821," "1822," "1824," "1825," "1826," &end # # 1821 LYS+ QE 1821 LYS+ HA 4.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "886," r1= "1.30," r2= "1.80," r3= "4.51," r4= "5.01," igr1= "897," "898," &end # # 1845 LEU QQD 1837 ASN QB 5.65 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.65," r4= "6.15," igr1= "1271," "1272," "1273," "1275," "1276," "1277," igr2= "1146," "1147," &end # # 1819 VAL QQG 3053 TRP HA 6.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2300," r1= "1.30," r2= "1.80," r3= "6.74," r4= "7.24," igr1= "864," "865," "866," "868," "869," "870," &end # # 3031 VAL QG1 3028 GLU- QB 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "1977," "1978," "1979," igr2= "1932," "1933," &end # # 1803 VAL QQG 1843 PHE QE 8.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "8.32," r4= "8.82," igr1= "627," "628," "629," "631," "632," "633," igr2= "1242," "1246," &end # # 3052 GLN QG 3049 ASP- HA 4.2 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2237," r1= "1.30," r2= "1.80," r3= "4.20," r4= "4.70," igr1= "2288," "2289," &end # # 1839 CYS- QB 1844 CYSZ QB 5.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.96," r4= "6.46," igr1= "1183," "1182," igr2= "1257," "1256," &end # # 1775 ARG+ QD 1772 SER QB 6.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.64," r4= "7.14," igr1= "194," "195," igr2= "141," "142," &end # # 1848 LYS+ HA 1851 LEU HA 6 (# ) &rst ixpk= "0," nxpk= "0," iat= "1316," "1378," r1= "1.30," r2= "1.80," r3= "6.00," r4= "6.50," &end # # 1851 LEU HA 1855 GLN QG 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "1378," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "1460," "1461," &end # # 1851 LEU HA 1854 GLN QB 4.74 (# ) &rst ixpk= "0," nxpk= "0," iat= "1378," "-1," r1= "1.30," r2= "1.80," r3= "4.74," r4= "5.24," igr2= "1440," "1441," &end # # 1851 LEU QQD 1855 GLN QG 7.96 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.96," r4= "8.46," igr1= "1385," "1386," "1387," "1389," "1390," "1391," igr2= "1460," "1461," &end # # 1842 PRO QB 1780 LEU QQD 7.64 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.64," r4= "8.14," igr1= "1225," "1226," igr2= "275," "276," "277," "279," "280," "281," &end # # 3050 ILE QG2 3053 TRP HZ3 6.67 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2315," r1= "1.30," r2= "1.80," r3= "6.67," r4= "7.17," igr1= "2253," "2254," "2255," &end # # 1779 SER QB 1782 HIS 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= "305," "306," &end # # 3014 LEU HG 1843 PHE QE 6.51 (# ) &rst ixpk= "0," nxpk= "0," iat= "1699," "-1," r1= "1.30," r2= "1.80," r3= "6.51," r4= "7.01," igr2= "1242," "1246," &end # # 3043 LEU QQD 1829 TYR QE 8.55 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "8.55," r4= "9.05," igr1= "2152," "2153," "2154," "2156," "2157," "2158," igr2= "1022," "1027," &end # # 3057 ASP- QB 3055 THR QG2 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "2375," "2376," igr2= "2348," "2349," "2350," &end # # 3021 ASP- HA 3024 LYS+ QB 4.24 (# ) &rst ixpk= "0," nxpk= "0," iat= "1801," "-1," r1= "1.30," r2= "1.80," r3= "4.24," r4= "4.74," igr2= "1858," "1859," &end # # 3021 ASP- HA 1813 THR QG2 5.34 (# ) &rst ixpk= "0," nxpk= "0," iat= "1801," "-1," r1= "1.30," r2= "1.80," r3= "5.34," r4= "5.84," igr2= "798," "799," "800," &end # # 3021 ASP- QB 1813 THR QG2 6.75 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.75," r4= "7.25," igr1= "1803," "1804," igr2= "798," "799," "800," &end # # 3051 GLU- QG 3048 ASP- HA 6.02 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "2225," r1= "1.30," r2= "1.80," r3= "6.02," r4= "6.52," igr1= "2273," "2274," &end # # 1821 LYS+ QE 3025 LEU QQD 5.81 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.81," r4= "6.31," igr1= "897," "898," igr2= "1885," "1886," "1887," "1889," "1890," "1891," &end # # 3017 GLU- HA 3016 GLN QB 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "1741," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "1726," "1727," &end # # 3017 GLU- HA 3021 ASP- QB 5.69 (# ) &rst ixpk= "0," nxpk= "0," iat= "1741," "-1," r1= "1.30," r2= "1.80," r3= "5.69," r4= "6.19," igr2= "1803," "1804," &end # # 3020 SER QB 3016 GLN QB 6.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.93," r4= "7.43," igr1= "1792," "1793," igr2= "1726," "1727," &end # # 3017 GLU- QG 3014 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= "1746," "1747," igr2= "1701," "1702," "1703," "1705," "1706," "1707," &end # # 1770 ARG+ QB 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= "98," "99," igr2= "1022," "1027," &end # # 1767 GLU- QB 1764 SER QB 5.04 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.04," r4= "5.54," igr1= "48," "49," igr2= "6," "7," &end # # 1813 THR QG2 1821 LYS+ HA 6.12 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "886," r1= "1.30," r2= "1.80," r3= "6.12," r4= "6.62," igr1= "798," "799," "800," &end # # 1813 THR QG2 1821 LYS+ QE 7.1 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.10," r4= "7.60," igr1= "798," "799," "800," igr2= "897," "898," &end # # 1813 THR QG2 1821 LYS+ QG 7.62 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.62," r4= "8.12," igr1= "798," "799," "800," igr2= "891," "892," &end # # 1813 THR QG2 1824 ILE QD1 7.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.93," r4= "8.43," igr1= "798," "799," "800," igr2= "955," "956," "957," &end # # 1813 THR HA 1821 LYS+ QB 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "794," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "888," "889," &end # # 1812 LYS+ HA 1820 CYSZ QB 4.49 (# ) &rst ixpk= "0," nxpk= "0," iat= "772," "-1," r1= "1.30," r2= "1.80," r3= "4.49," r4= "4.99," igr2= "879," "878," &end # # 3039 ALA QB 3036 PRO HD- 6.36 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.36," r4= "6.86," igr1= "2096," "2097," "2098," igr2= "2051," "2052," &end # # 3039 ALA QB 3036 PRO HD+ 5.81 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "5.81," r4= "6.31," igr1= "2096," "2097," "2098," igr2= "2051," "2052," &end # # 1843 PHE HZ 3022 LEU QQD 6.3 (# ) &rst ixpk= "0," nxpk= "0," iat= "1244," "-1," r1= "1.30," r2= "1.80," r3= "6.30," r4= "6.80," igr2= "1820," "1821," "1822," "1824," "1825," "1826," &end # # 1851 LEU QQD 1855 GLN QG 8.32 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "8.32," r4= "8.82," igr1= "1385," "1386," "1387," "1389," "1390," "1391," igr2= "1460," "1461," &end # # 3025 LEU QQD 1816 GLY QA 6.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.07," r4= "6.57," igr1= "1885," "1886," "1887," "1889," "1890," "1891," igr2= "829," "830," &end # # 3015 SER HA 3012 PRO QG 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "1713," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "1668," "1669," &end # # 3017 GLU- QG 3014 LEU QQD 7.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.72," r4= "8.22," igr1= "1746," "1747," igr2= "1701," "1702," "1703," "1705," "1706," "1707," &end # # 1824 ILE QD1 3022 LEU HA 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1813," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "955," "956," "957," &end # # 1824 ILE QD1 3022 LEU QQD 8.9 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "8.90," r4= "9.40," igr1= "955," "956," "957," igr2= "1820," "1821," "1822," "1824," "1825," "1826," &end # # 3044 MET QE 1822 GLN HA 6.79 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "908," r1= "1.30," r2= "1.80," r3= "6.79," r4= "7.29," igr1= "2173," "2174," "2175," &end # # 3040 MET QE 1832 LYS+ HA 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1062," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "2113," "2114," "2115," &end # # 3040 MET QE 1832 LYS+ QE 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "2113," "2114," "2115," igr2= "1073," "1074," &end # # 3032 LEU QQD 3023 TRP HZ2 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1843," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "1996," "1997," "1998," "2000," "2001," "2002," &end # # 3032 LEU QQD 3023 TRP HH2 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1845," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr1= "1996," "1997," "1998," "2000," "2001," "2002," &end # # 3031 VAL QG1 3023 TRP HZ2 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1843," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1977," "1978," "1979," &end # # 3031 VAL QG1 3023 TRP HH2 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1845," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1977," "1978," "1979," &end # # 3031 VAL QG2 3023 TRP HZ2 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1843," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1981," "1982," "1983," &end # # 3031 VAL QG2 3023 TRP HH2 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1845," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1981," "1982," "1983," &end # # 3031 VAL QG2 1832 LYS+ QE 6.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.07," r4= "6.57," igr1= "1981," "1982," "1983," igr2= "1073," "1074," &end # # 3031 VAL QG2 3023 TRP HZ2 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1843," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1981," "1982," "1983," &end # # 3031 VAL QG2 3023 TRP HH2 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "1845," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr1= "1981," "1982," "1983," &end # # 3031 VAL QG2 1832 LYS+ QE 6.07 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.07," r4= "6.57," igr1= "1981," "1982," "1983," igr2= "1073," "1074," &end # # 1805 HIS HA 1819 VAL QQG 7.41 (# ) &rst ixpk= "0," nxpk= "0," iat= "656," "-1," r1= "1.30," r2= "1.80," r3= "7.41," r4= "7.91," igr2= "864," "865," "866," "868," "869," "870," &end # # 3019 PHE HA 3016 GLN QG 5.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "1770," "-1," r1= "1.30," r2= "1.80," r3= "5.72," r4= "6.22," igr2= "1729," "1730," &end # # 3019 PHE HA 3016 GLN QB 5.72 (# ) &rst ixpk= "0," nxpk= "0," iat= "1770," "-1," r1= "1.30," r2= "1.80," r3= "5.72," r4= "6.22," igr2= "1726," "1727," &end # # 1854 GLN QE 3023 TRP QB 6.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.93," r4= "7.43," igr1= "1448," "1449," igr2= "1834," "1835," &end # # 1812 LYS+ H 3025 LEU QQD 7.48 (# ) &rst ixpk= "0," nxpk= "0," iat= "770," "-1," r1= "1.30," r2= "1.80," r3= "7.48," r4= "7.98," igr2= "1885," "1886," "1887," "1889," "1890," "1891," &end # # 3019 PHE H 1843 PHE QE 6.17 (# ) &rst ixpk= "0," nxpk= "0," iat= "1768," "-1," r1= "1.30," r2= "1.80," r3= "6.17," r4= "6.67," igr2= "1242," "1246," &end # # 3019 PHE H 3018 THR QG2 6.61 (# ) &rst ixpk= "0," nxpk= "0," iat= "1768," "-1," r1= "1.30," r2= "1.80," r3= "6.61," r4= "7.11," igr2= "1760," "1761," "1762," &end # # 3019 PHE QD 3012 PRO QD 6.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.93," r4= "7.43," igr1= "1776," "1784," igr2= "1665," "1666," &end # # 3019 PHE QB 3012 PRO QD 6.93 (# ) &rst ixpk= "0," nxpk= "0," iat= "-1," "-1," r1= "1.30," r2= "1.80," r3= "6.93," r4= "7.43," igr1= "1772," "1773," igr2= "1665," "1666," &end # # 3023 TRP HE3 3023 TRP QB 5.99 (# ) &rst ixpk= "0," nxpk= "0," iat= "1849," "-1," r1= "1.30," r2= "1.80," r3= "5.99," r4= "6.49," igr2= "1834," "1835," &end # # 1828 CYS HA 3032 LEU QQD 7.63 (# ) &rst ixpk= "0," nxpk= "0," iat= "1003," "-1," r1= "1.30," r2= "1.80," r3= "7.63," r4= "8.13," igr2= "1996," "1997," "1998," "2000," "2001," "2002," &end
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