NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
7584 | 1kqv | cing | 1-original | 10 | DYANA/DIANA | distance | NOE | simple |
1 LYS+ HN 1 LYS+ HA 5.60 # 2 1115.0 e 1ceaug 2 HN 1 LYS+ HB2 7.00 # w 2 267.0 e 1ceaug 1384 HN 1 LYS+ HB3 7.00 # w 2 .0 e 1ceaug 1001 HN 1 LYS+ QG 6.70 # m 1 1221.5*2e 1ceaug 2689 HN 1 LYS+ QD 7.60 # m 1 477.5*2e 1ceaug 1385 HN 2 SER HN 7.00 # w 2 229.0 e 1ceaug 1197 HA 1 LYS+ HB2 3.20 <# 2 31560.0 e 1ceaug 1380 HA 1 LYS+ HB3 4.10 ># 2 7270.0 e 1ceaug 1002 HA 1 LYS+ QG 5.60 # i 1 2620.0*2e 1ceaug 1382 HA 1 LYS+ QD 5.80 # m 1 3510.5*2e 1ceaug 1381 HB2 1 LYS+ QG 4.90 # m 1 11945.0*2e 1ceaug 4946 HB2 1 LYS+ QD 4.70 # m 1 17465.0*2e 1ceaug 4947 HB3 1 LYS+ QG 4.50 # m 1 21280.0*2e 1ceaug 2683 HB3 1 LYS+ QD 4.40 # m 1 26370.0*2e 1ceaug 2684 QG 1 LYS+ QD 5.00 # mm 1 56175.0*4e 1ceaug 2685 QD 1 LYS+ QE 7.30 # mm 1 1824.8*4e 1ceaug 1383 QD 2 SER HN 8.00 # m w 5 1073.5*2e 1ceaug 1484 2 SER HN 2 SER HA 3.50 # 2 20620.0 e 1ceaug 6 HN 2 SER HB2 3.20 # 2 31050.0 e 1ceaug 1004 HN 2 SER HB3 3.70 # 2 12900.0 e 1ceaug 1003 HN 3 PRO QD 8.00 # m w 5 860.5*2e 1ceaug 1198 HN 4 GLU- HN 7.00 # 3 1319.0 e 1ceaug 3873 HN 5 GLU- HN 5.20 # 3 4506.0 e 1ceaug 1388 HN 5 GLU- HA 7.00 # w 3 827.0 e 1ceaug 4952 HN 5 GLU- HB2 4.80 # 3 6267.0 e 1ceaug 1390 HN 5 GLU- HB3 4.20 # 3 10290.0 e 1ceaug 1389 HN 5 GLU- HG2 7.00 ># w 5 1503.0 e 1ceaug 3880 HN 5 GLU- HG3 4.60 <# 5 15300.0 e 1ceaug 3877 HN 6 LEU HN 7.00 # w 3 976.0 e 1ceaug 3882 HA 2 SER HB2 3.30 <# 2 25290.0 e 1ceaug 1771 HA 2 SER HB3 4.10 ># 2 7709.0 e 1ceaug 1773 HA 3 PRO QD 5.00 # m 5 27055.0*2e 1ceaug 2249 HA 4 GLU- HN 5.30 # 3 4039.0 e 1ceaug 3872 HB2 4 GLU- HN 6.60 ># 3 1670.0 e 1ceaug 3874 HB2 5 GLU- HN 6.80 # 3 1496.0 e 1ceaug 4953 HB3 3 PRO QD 5.40 # m 5 18110.0*2e 1ceaug 2255 HB3 4 GLU- HN 5.10 <# 3 4909.0 e 1ceaug 1395 HB3 5 GLU- HN 6.80 # 3 1561.0 e 1ceaug 1397 3 PRO HA 3 PRO HB2 3.40 ># 2 22610.0 e 1ceaug 9 HA 3 PRO HB3 2.80 <# 2 80740.0 e 1ceaug 11 HA 3 PRO HG2 4.20 # 1 8082.0 e 1ceaug 1775 HA 3 PRO HG3 4.40 # 1 5881.0 e 1ceaug 2693 HA 3 PRO QD 5.90 # m 1 2946.5*2e 1ceaug 3868 HA 4 GLU- HN 4.00 # 2 8176.0 e 1ceaug 13 HA 5 GLU- HN 6.10 # 3 2365.0 e 1ceaug 3883 HA 6 LEU HN 4.90 # 3 5681.0 e 1ceaug 3884 HA 6 LEU HB2 4.30 # 3 9628.0 e 1ceaug 3885 HA 6 LEU QD1 7.00 <# 5M 11360.0 e 1ceaug 3888 HA 6 LEU QD2 8.00 ># 5M 1195.0 e 1ceaug 3887 HA 7 LYS+ HN 5.10 # 3 4667.0 e 1ceaug 4858 HB2 3 PRO HG3 3.10 # 1 49980.0 e 1ceaug 2704 HB2 3 PRO QD 4.80 <# m 1 15015.0*2e 1ceaug 2697 HB2 4 GLU- HN 3.50 <# 2 19020.0 e 1ceaug 17 HB2 6 LEU HB2 7.00 # w 5 .0 e 1ceaug 5198 HB2 6 LEU HB3 6.80 # 5 3325.0 e 1ceaug 3892 HB2 6 LEU QD1 7.70 # 5M 7923.0 e 1ceaug 3895 HB2 6 LEU QD2 8.00 # 5M 2475.0 e 1ceaug 3894 HB3 3 PRO HG2 3.50 # 1 24760.0 e 1ceaug 2701 HB3 3 PRO HG3 3.70 # 1 15820.0 e 1ceaug 2700 HB3 3 PRO QD 5.50 ># m 1 5090.0*2e 1ceaug 2699 HB3 4 GLU- HN 4.40 ># 2 4825.0 e 1ceaug 19 HB3 6 LEU HB3 7.00 # w 5 718.0 e 1ceaug 3891 HB3 6 LEU HG 7.00 # w 5 1900.0 e 1ceaug 3890 HG2 3 PRO QD 4.50 # m 1 22100.0*2e 1ceaug 2698 HG2 4 GLU- HN 5.40 # 5 8435.0 e 1ceaug 1396 HG3 3 PRO QD 4.20 # m 1 40395.0*2e 1ceaug 1776 HG3 4 GLU- HN 6.00 # 5 5480.0 e 1ceaug 1200 QD 4 GLU- HN 6.40 # m 5 8055.0*2e 1ceaug 1199 4 GLU- HN 4 GLU- HA 3.10 # 2 40580.0 e 1ceaug 22 HN 4 GLU- HB2 3.00 # 2 48620.0 e 1ceaug 25 HN 4 GLU- HB3 3.30 # 2 26600.0 e 1ceaug 24 HN 4 GLU- HG2 3.90 # 1 11560.0 e 1ceaug 2715 HN 4 GLU- HG3 4.20 # 1 7131.0 e 1ceaug 1009 HN 5 GLU- HN 3.20 # 2 31430.0 e 1ceaug 1201 HN 6 LEU HN 5.40 # 3 3716.0 e 1ceaug 3898 HN 7 LYS+ HN 7.00 # w 3 1041.0 e 1ceaug 3909 HA 4 GLU- HB2 3.10 # 2 41850.0 e 1ceaug 29 HA 4 GLU- HB3 3.20 # 2 35660.0 e 1ceaug 27 HA 4 GLU- HG2 3.10 # 1 45930.0 e 1ceaug 2714 HA 4 GLU- HG3 3.60 # 1 20510.0 e 1ceaug 2710 HA 5 GLU- HN 3.70 # 2 14750.0 e 1ceaug 31 HA 6 LEU HN 6.70 # 3 1567.0 e 1ceaug 3900 HA 7 LYS+ HN 3.90 # 3 14360.0 e 1ceaug 1722 HA 7 LYS+ HB2 3.50 # 3 23000.0 e 1ceaug 1724 HA 7 LYS+ HB3 3.90 # 3 14390.0 e 1ceaug 1723 HA 7 LYS+ HG3 5.30 # 5 8708.0 e 1ceaug 3913 HA 7 LYS+ QD 7.70 # m 5 3409.0*2e 1ceaug 3915 HA 8 GLY HN 4.60 # 3 7200.0 e 1ceaug 1725 HB2 4 GLU- HG2 3.50 # 1 22910.0 e 1ceaug 1780 HB2 4 GLU- HG3 3.40 # 1 26160.0 e 1ceaug 2708 HB2 5 GLU- HN 3.80 # 2 11550.0 e 1ceaug 3870 HB3 4 GLU- HG2 3.20 # 1 43390.0 e 1ceaug 2712 HB3 4 GLU- HG3 3.40 # 1 28520.0 e 1ceaug 2709 HB3 5 GLU- HN 3.50 # 2 19710.0 e 1ceaug 1538 5 GLU- HN 5 GLU- HA 3.40 # 2 24600.0 e 1ceaug 38 HN 5 GLU- HB2 3.40 # 2 24700.0 e 1ceaug 1013 HN 5 GLU- HB3 3.00 # 2 44620.0 e 1ceaug 1010 HN 5 GLU- HG2 3.90 # 1 12090.0 e 1ceaug 1011 HN 5 GLU- HG3 3.70 # 1 17550.0 e 1ceaug 1012 HN 6 LEU HN 3.10 # 2 36540.0 e 1ceaug 1202 HN 7 LYS+ HN 4.30 # 3 9379.0 e 1ceaug 5131 HN 8 GLY HN 5.40 # 3 3717.0 e 1ceaug 3922 HA 5 GLU- HB2 3.30 # 2 27690.0 e 1ceaug 2734 HA 5 GLU- HB3 3.80 # 2 11140.0 e 1ceaug 2723 HA 5 GLU- HG2 4.30 ># 1 6648.0 e 1ceaug 2721 HA 5 GLU- HG3 3.30 <# 1 34170.0 e 1ceaug 3866 HA 6 LEU HN 4.10 # 2 7535.0 e 1ceaug 41 HA 8 GLY HN 4.70 # 3 6937.0 e 1ceaug 1726 HA 8 GLY HA2 5.90 # 3 2754.0 e 1ceaug 5124 HA 9 ILE HN 7.00 # w 3 1182.0 e 1ceaug 3940 HB2 5 GLU- HG2 3.20 # 1 37100.0 e 1ceaug 2733 HB2 5 GLU- HG3 3.30 # 1 32970.0 e 1ceaug 2732 HB2 6 LEU HN 4.00 # 2 9154.0 e 1ceaug 4044 HB2 7 LYS+ HN 7.00 # w 3 843.0 e 1ceaug 5134 HB3 5 GLU- HG2 3.30 # 1 35040.0 e 1ceaug 2728 HB3 5 GLU- HG3 3.50 # 1 21630.0 e 1ceaug 2731 HB3 6 LEU HN 3.60 # 2 15030.0 e 1ceaug 1899 HB3 6 LEU HB2 6.60 # 5 3698.0 e 1ceaug 5199 HG2 6 LEU HN 6.90 ># 5 3043.0 e 1ceaug 4101 HG3 6 LEU HN 5.20 <# 5 9353.0 e 1ceaug 5313 6 LEU HN 6 LEU HA 3.30 # 2 26380.0 e 1ceaug 44 HN 6 LEU HB2 3.00 <# 2 52500.0 e 1ceaug 48 HN 6 LEU HB3 3.60 ># 2 15110.0 e 1ceaug 46 HN 6 LEU HG 3.10 # 1 48360.0 e 1ceaug 1016 HN 6 LEU QD1 5.10 # 1M 5354.0 e 1ceaug 1857 HN 6 LEU QD2 4.90 # 1M 6897.0 e 1ceaug 1788 HN 7 LYS+ HN 3.00 # 2 44980.0 e 1ceaug 1203 HN 8 GLY HN 5.00 # 3 5402.0 e 1ceaug 5118 HN 9 ILE HN 6.00 # 3 2438.0 e 1ceaug 3942 HN 9 ILE HB 6.20 # 3 2209.0 e 1ceaug 3941 HA 6 LEU HB2 3.60 # 2 16190.0 e 1ceaug 51 HA 6 LEU HB3 3.30 # 2 28560.0 e 1ceaug 49 HA 6 LEU HG 4.00 # 1 9719.0 e 1ceaug 1017 HA 6 LEU QD1 4.60 ># 1M 9647.0 e 1ceaug 1015 HA 6 LEU QD2 3.40 <# 1M 67200.0 e 1ceaug 1014 HA 7 LYS+ HN 4.00 # 2 8330.0 e 1ceaug 53 HA 7 LYS+ HA 5.70 # 2 964.0 e 1ceaug 5126 HA 8 GLY HN 5.40 # 3 3952.0 e 1ceaug 5120 HA 9 ILE HN 4.00 # 3 13200.0 e 1ceaug 1727 HA 9 ILE HB 3.90 # 3 13760.0 e 1ceaug 3947 HA 9 ILE QG2 8.00 # 5M 2310.0 e 1ceaug 3948 HA 9 ILE HG13 7.00 # w 5 2152.0 e 1ceaug 3949 HA 66 PHE QE 9.00 # r w 5 663.0*2e 1ceaug 4022 HB2 6 LEU HG 3.10 # 1 49620.0 e 1ceaug 2743 HB2 6 LEU QD1 4.30 # 1M 14100.0 e 1ceaug 2750 HB2 6 LEU QD2 4.20 # 1M 16990.0 e 1ceaug 1787 HB2 7 LYS+ HN 3.50 # 2 18820.0 e 1ceaug 5018 HB2 7 LYS+ HB3 6.20 # 5 4777.0 e 1ceaug 5127 HB2 66 PHE QE 9.00 ># r w 5 1154.0*2e 1ceaug 4023 HB3 6 LEU HG 3.30 # 1 32860.0 e 1ceaug 2747 HB3 6 LEU QD1 3.40 # 1M 59970.0 e 1ceaug 1791 HB3 6 LEU QD2 3.60 # 1M 40680.0 e 1ceaug 1790 HB3 7 LYS+ HN 3.90 # 2 10010.0 e 1ceaug 1512 HB3 8 GLY HN 7.00 # w 3 714.0 e 1ceaug 5122 HB3 66 PHE QE 7.60 <# r 5 7000.0*2e 1ceaug 5102 HB3 70 VAL QG1 7.80 # 5M 7253.0 e 1ceaug 3951 HG 6 LEU QD1 3.40 # 1M 62450.0 e 1ceaug 1785 HG 6 LEU QD2 3.40 # 1M 56560.0 e 1ceaug 1789 HG 66 PHE QE 9.00 # r w 5 1960.0*2e 1ceaug 5101 QD1 7 LYS+ HN 8.00 # 5M 2032.0 e 1ceaug 5012 QD1 36 PHE QD 9.80 <# r 5M 7475.0*2e 1ceaug 5269 QD1 36 PHE QE 8.60 # r 5M 14295.0*2e 1ceaug 5270 QD1 66 PHE QD 10.00 # r 5M 3616.5*2e 1ceaug 5097 QD1 66 PHE QE 10.00 # r 5M 5700.0*2e 1ceaug 4025 QD1 73 ILE QD1 9.00 <# m 5M 6593.0 e 1ceaug 1673 QD2 7 LYS+ HN 8.00 # 5M .0 e 1ceaug 5013 QD2 36 PHE QD 10.00 ># r 5M 2002.0*2e 1ceaug 5301 QD2 36 PHE QE 9.40 # r 5M 9065.0*2e 1ceaug 1566 QD2 66 PHE QE 10.00 # r 5M 5480.0*2e 1ceaug 5104 QD2 73 ILE QD1 9.00 ># m 5M 1598.0 e 1ceaug 1674 7 LYS+ HN 7 LYS+ HA 3.20 # 2 34220.0 e 1ceaug 60 HN 7 LYS+ HB2 2.80 # 2 73110.0 e 1ceaug 61 HN 7 LYS+ HB3 3.00 # 2 51180.0 e 1ceaug 64 HN 7 LYS+ HG2 4.50 # 1 4955.0 e 1ceaug 3908 HN 7 LYS+ HG3 5.20 # 1 2041.0 e 1ceaug 1018 HN 7 LYS+ QD 6.00 # m 1 2571.5*2e 1ceaug 1020 HN 8 GLY HN 3.10 # 2 39380.0 e 1ceaug 3686 HN 9 ILE HN 4.60 # 3 7252.0 e 1ceaug 5020 HN 63 PHE QE 8.90 # r 5 3137.5*2e 1ceaug 4959 HA 7 LYS+ HB2 2.90 # 2 61200.0 e 1ceaug 69 HA 7 LYS+ HB3 3.20 # 2 35260.0 e 1ceaug 71 HA 7 LYS+ HG2 3.70 <# 1 17190.0 e 1ceaug 2766 HA 7 LYS+ HG3 4.50 ># 1 4941.0 e 1ceaug 3905 HA 7 LYS+ QD 7.90 # m 1 372.5*2e 1ceaug 2753 HA 8 GLY HN 3.70 # 2 13310.0 e 1ceaug 73 HA 10 PHE HN 4.40 # 3 8547.0 e 1ceaug 1729 HA 10 PHE HB3 4.90 # 3 5899.0 e 1ceaug 3952 HA 11 GLU- HN 4.90 # 3 5482.0 e 1ceaug 3954 HA 63 PHE QD 9.00 # r w 5 1758.5*2e 1ceaug 1969 HA 63 PHE QE 7.50 # r 5 7600.0*2e 1ceaug 4955 HA 63 PHE HZ 5.50 # 5 7548.0 e 1ceaug 1966 HB2 7 LYS+ HG2 3.10 # 1 44570.0 e 1ceaug 2759 HB2 7 LYS+ HG3 3.10 # 1 52160.0 e 1ceaug 2758 HB2 7 LYS+ QD 4.50 # m 1 24305.0*2e 1ceaug 2771 HB2 8 GLY HN 3.50 # 2 20510.0 e 1ceaug 3920 HB2 63 PHE QE 8.10 <# r 5 4923.5*2e 1ceaug 4960 HB2 63 PHE HZ 5.20 # 5 9641.0 e 1ceaug 1930 HB3 7 LYS+ HG2 3.50 # 1 21320.0 e 1ceaug 2756 HB3 7 LYS+ HG3 3.30 # 1 30420.0 e 1ceaug 2755 HB3 7 LYS+ QD 4.70 # m 1 15605.0*2e 1ceaug 2754 HB3 8 GLY HN 3.20 # 2 36230.0 e 1ceaug 3919 HB3 63 PHE QE 9.00 ># r w 5 104.0*2e 1ceaug 4961 HG2 7 LYS+ QD 4.50 # m 1 21115.0*2e 1ceaug 2760 HG2 7 LYS+ HE3 6.00 # 1 881.0 e 1ceaug 1793 HG2 8 GLY HN 7.00 ># w 5 200.0 e 1ceaug 3917 HG2 8 GLY HA1 5.80 # 5 5992.0 e 1ceaug 5117 HG2 63 PHE QE 9.00 # r w 5 1228.5*2e 1ceaug 2283 HG2 63 PHE HZ 6.30 # 5 4539.0 e 1ceaug 1918 HG3 7 LYS+ QD 4.40 # m 1 26475.0*2e 1ceaug 2770 HG3 7 LYS+ HE2 6.00 # 1 887.0 e 1ceaug 3901 HG3 7 LYS+ HE3 5.10 # 1 2257.0 e 1ceaug 3904 HG3 8 GLY HN 6.70 <# 5 3455.0 e 1ceaug 3918 HG3 63 PHE QE 9.00 # r w 5 2688.5*2e 1ceaug 2218 QD 7 LYS+ HE2 4.40 # m 1 26460.0*2e 1ceaug 1022 QD 7 LYS+ HE3 4.90 # m 1 11180.0*2e 1ceaug 3903 QD 63 PHE QE 10.00 # mrw 5 663.2*4e 1ceaug 4954 QD 63 PHE HZ 8.00 # m w 5 642.0*2e 1ceaug 1920 HE2 63 PHE QD 9.00 # r w 5 1079.5*2e 1ceaug 4962 HE2 63 PHE QE 9.00 # r w 5 2544.0*2e 1ceaug 4958 8 GLY HN 8 GLY HA1 2.80 # 2 72240.0 e 1ceaug 3598 HN 8 GLY HA2 3.00 # 2 47160.0 e 1ceaug 1023 HN 9 ILE HN 3.00 # 2 48770.0 e 1ceaug 1206 HA1 9 ILE HN 3.70 # 2 14200.0 e 1ceaug 3936 HA1 11 GLU- HN 4.70 # 3 6860.0 e 1ceaug 4046 HA1 11 GLU- HB2 4.40 # 3 8715.0 e 1ceaug 4053 HA1 11 GLU- HB3 5.30 # 3 4256.0 e 1ceaug 4050 HA2 9 ILE HN 3.90 # 2 10280.0 e 1ceaug 1205 HA2 11 GLU- HN 4.40 # 3 8937.0 e 1ceaug 1731 HA2 11 GLU- HB2 5.60 # 3 3418.0 e 1ceaug 4051 HA2 11 GLU- HB3 7.00 # w 3 597.0 e 1ceaug 4052 HA2 12 LYS+ HN 5.60 # 3 3263.0 e 1ceaug 4055 9 ILE HN 9 ILE HA 3.60 # 2 16510.0 e 1ceaug 77 HN 9 ILE HB 2.80 # 2 74170.0 e 1ceaug 2774 HN 9 ILE QG2 4.70 # 1M 8452.0 e 1ceaug 1025 HN 9 ILE HG12 4.20 ># 1 7183.0 e 1ceaug 3924 HN 9 ILE HG13 3.50 <# 1 24450.0 e 1ceaug 2778 HN 9 ILE QD1 4.70 # 1M 8880.0 e 1ceaug 2782 HN 10 PHE HN 3.50 # 2 18560.0 e 1ceaug 3616 HN 11 GLU- HN 4.80 # 3 6429.0 e 1ceaug 4059 HN 12 LYS+ HN 6.10 # 3 2331.0 e 1ceaug 80 HN 12 LYS+ HB2 7.00 # w 3 906.0 e 1ceaug 4062 HN 12 LYS+ HB3 7.00 # w 3 1042.0 e 1ceaug 4065 HA 9 ILE HB 3.10 # 2 40320.0 e 1ceaug 85 HA 9 ILE QG2 3.80 # 1M 33760.0 e 1ceaug 2789 HA 9 ILE HG12 3.60 # 1 18250.0 e 1ceaug 3925 HA 9 ILE HG13 3.70 # 1 15300.0 e 1ceaug 2785 HA 9 ILE QD1 4.40 # 1M 13210.0 e ! 1ceaug 2781 HA 10 PHE HN 4.50 # 2 4399.0 e 1ceaug 1207 HA 12 LYS+ HN 5.10 # 3 5021.0 e 1ceaug 4061 HA 12 LYS+ HB2 4.30 ># 3 10060.0 e 1ceaug 4066 HA 12 LYS+ HB3 3.40 <# 3 26490.0 e 1ceaug 4072 HA 12 LYS+ HG2 7.00 # w 5 940.0 e 1ceaug 4070 HA 12 LYS+ HG3 7.00 # w 5 641.0 e 1ceaug 4069 HA 12 LYS+ HD3 7.00 # w 5 1417.0 e 1ceaug 4068 HA 13 TYR HN 5.20 # 3 4644.0 e 1ceaug 4074 HA 13 TYR QD 8.20 # r 5 4770.5*2e 1ceaug 4073 HA 13 TYR QE 9.00 # r w 5 914.0*2e 1ceaug 4076 HB 9 ILE QG2 3.80 # 1M 30740.0 e 1ceaug 2790 HB 9 ILE HG12 3.80 ># 1 12890.0 e 1ceaug 3926 HB 9 ILE HG13 2.80 <# 1 83430.0 e 1ceaug 2786 HB 9 ILE QD1 3.50 # 1M 55030.0 e 1ceaug 1718 HB 10 PHE HN 3.40 # 2 24610.0 e 1ceaug 3615 QG2 9 ILE HG12 3.30 <# s 1M 76640.0 e 1ceaug 3934 QG2 9 ILE HG13 4.50 ># 1M 11200.0 e 1ceaug 2787 QG2 9 ILE QD1 4.50 # m 1M 48120.0 e 1ceaug 2780 QG2 10 PHE HN 6.70 # 5M 13780.0 e 1ceaug 1496 QG2 13 TYR HN 7.30 # 5M 9552.0 e 1ceaug 1529 QG2 13 TYR QD 7.90 # r 5M 22270.0*2e 1ceaug 1921 QG2 13 TYR QE 8.30 # r 5M 17290.0*2e 1ceaug 1592 QG2 36 PHE QD 10.00 # r 5M 3879.0*2e 1ceaug 4082 QG2 36 PHE QE 10.00 # r 5M 2876.5*2e 1ceaug 4084 HG12 9 ILE QD1 3.40 # 1M 60780.0 e 1ceaug 3935 HG13 9 ILE QD1 3.30 # s 1M 90630.0 e 1ceaug 2779 QD1 10 PHE HN 8.00 # 5M 2038.0 e 1ceaug 5215 QD1 13 TYR QE 10.00 # r 5M 2983.5*2e 1ceaug 1591 QD1 35 GLU- HB3 5.80 # 5M 24830.0 e 1ceaug 4079 QD1 36 PHE QD 10.00 # r 5M 2497.0*2e 1ceaug 4083 QD1 36 PHE QE 10.00 # r 5M 3636.5*2e 1ceaug 4085 10 PHE HN 10 PHE HA 3.10 # 2 43770.0 e 1ceaug 1028 HN 10 PHE HB2 3.00 # 2 48440.0 e 1ceaug 1728 HN 10 PHE HB3 3.20 # 2 33110.0 e 1ceaug 1029 HN 10 PHE QD 9.00 # r w 1 105.5*2e 1ceaug 1460 HN 11 GLU- HN 3.20 # 2 31570.0 e 1ceaug 5138 HN 12 LYS+ HN 4.50 # 3 7898.0 e 1ceaug 4088 HN 31 LEU QD1 8.00 # 5M 796.0 e 1ceaug 5223 HN 66 PHE QE 9.00 # r w 5 1770.0*2e 1ceaug 5145 HA 10 PHE HB2 2.80 # 2 71070.0 e 1ceaug 87 HA 10 PHE HB3 3.00 # 2 46070.0 e 1ceaug 90 HA 10 PHE QD 4.80 # m 1 14170.0*2e 1ceaug 2799 HA 11 GLU- HN 3.90 # 2 9391.0 e 1ceaug 3621 HA 12 LYS+ HN 7.00 # w 3 .0 e 1ceaug 4090 HA 13 TYR HN 6.80 # 3 1554.0 e 1ceaug 1533 HA 13 TYR HB2 7.00 ># w 3 473.0 e 1ceaug 4092 HA 13 TYR HB3 4.50 <# 3 7680.0 e 1ceaug 4093 HA 14 ALA HN 7.00 # w 3 637.0 e 1ceaug 1734 HA 14 ALA QB 6.10 # 3M 454.0 e 1ceaug 4095 HA 23 LEU QD1 8.00 # 5M 3954.0 e 1ceaug 4927 HA 23 LEU QD2 8.00 # 5M 3844.0 e 1ceaug 1735 HA 31 LEU QD1 5.70 <# 5M 27020.0 e 1ceaug 4097 HA 31 LEU QD2 7.40 ># 5M 9013.0 e 1ceaug 4096 HA 66 PHE QE 9.00 # r 5 2899.0*2e 1ceaug 4020 HB2 10 PHE QD 5.50 # r 1 22040.0*2e 1ceaug 2801 HB2 10 PHE QE 6.40 <# r 1 6010.0*2e 1ceaug 2802 HB2 11 GLU- HN 4.10 # 2 6986.0 e 1ceaug 3617 HB2 63 PHE QD 8.50 # r 5 3836.5*2e 1ceaug 2305 HB2 63 PHE QE 8.40 # r 5 4074.0*2e 1ceaug 1953 HB2 66 PHE QD 7.60 <# r 5 7110.0*2e 1ceaug 1571 HB2 66 PHE QE 8.00 <# r 5 5360.0*2e 1ceaug 4021 HB3 10 PHE QD 5.90 # r 1 11195.0*2e 1ceaug 2800 HB3 10 PHE QE 7.40 ># r 1 1632.5*2e 1ceaug 2803 HB3 11 GLU- HN 3.60 # 2 16550.0 e 1ceaug 3620 HB3 63 PHE QD 7.80 # r 5 6220.0*2e 1ceaug 2307 HB3 63 PHE QE 8.00 # r 5 5495.0*2e 1ceaug 5111 HB3 66 PHE QD 9.00 ># r w 5 1603.0*2e 1ceaug 4015 HB3 66 PHE QE 9.00 ># r w 5 1832.0*2e 1ceaug 4019 QD 10 PHE QE 7.70 # rr 1 15500.0*4e 1ceaug 2797 QD 10 PHE HZ 6.80 # r 1 3492.0*2e 1ceaug 1031 QD 11 GLU- HN 8.80 # r 5 3297.0*2e 1ceaug 1459 QD 11 GLU- HA 9.00 # r w 5 2451.0*2e 1ceaug 5143 QD 14 ALA QB 10.00 # r 5M 1976.0*2e 1ceaug 4990 QD 15 ALA HN 8.80 # r 5 3159.0*2e 1ceaug 4993 QD 23 LEU QD1 10.00 # r 5M 4358.0*2e 1ceaug 4929 QD 23 LEU QD2 10.00 # r 5M 4847.5*2e 1ceaug 4928 QD 63 PHE QD 10.10 # rr 5 4885.0*4e 1ceaug 4032 QD 66 PHE HN 9.00 # r w 5 454.5*2e 1ceaug 4861 QD 66 PHE HB2 8.90 # r 5 3067.5*2e 1ceaug 4013 QD 66 PHE HB3 9.00 # r w 5 2128.0*2e 1ceaug 4012 QD 66 PHE QE 11.00 # rrw 5 1337.8*4e 1ceaug 4018 QE 10 PHE HZ 4.90 # r 1 65950.0*2e 1ceaug 1032 QE 14 ALA HN 9.00 # r w 5 354.5*2e 1ceaug 4992 QE 14 ALA QB 9.30 # r 5M 9750.0*2e 1ceaug 4991 QE 23 LEU HB2 8.90 # r 5 3116.0*2e 1ceaug 5294 QE 23 LEU HB3 9.00 # r w 5 1620.5*2e 1ceaug 5234 QE 61 VAL HB 9.00 # r w 5 223.0*2e 1ceaug 4885 QE 61 VAL QG1 9.20 # r 5M 9980.0*2e 1ceaug 4887 QE 63 PHE HN 7.50 # r 5 7365.0*2e 1ceaug 1434 QE 63 PHE HA 7.40 # r 5 7980.0*2e 1ceaug 1955 QE 63 PHE HB2 9.00 # r w 5 423.0*2e 1ceaug 2332 QE 63 PHE QD 8.90 # rr 5 12315.0*4e 1ceaug 4033 HZ 14 ALA QB 7.70 # 5M 7940.0 e 1ceaug 5229 HZ 22 GLN HN 6.80 # 5 3313.0 e 1ceaug 2118 HZ 22 GLN HA 4.40 # 5 18810.0 e 1ceaug 5010 HZ 23 LEU HN 6.00 # 5 5538.0 e 1ceaug 2123 HZ 23 LEU HB2 6.40 <# 5 4117.0 e 1ceaug 5295 HZ 23 LEU HB3 7.00 ># w 5 1611.0 e 1ceaug 5235 HZ 23 LEU HG 4.70 # 5 13800.0 e 1ceaug 2121 HZ 23 LEU QD1 8.00 ># 5M 829.0 e 1ceaug 2120 HZ 23 LEU QD2 8.00 <# 5M 2451.0 e 1ceaug 2119 HZ 62 SER HA 7.00 # w 5 1687.0 e 1ceaug 1891 HZ 62 SER HB2 6.20 # 5 4654.0 e 1ceaug 2125 HZ 63 PHE QD 6.90 # r 5 11665.0*2e 1ceaug 4034 11 GLU- HN 11 GLU- HA 3.40 # 2 22500.0 e 1ceaug 94 HN 11 GLU- HB2 2.80 <# 2 73450.0 e 1ceaug 98 HN 11 GLU- HB3 3.30 ># 2 26160.0 e 1ceaug 96 HN 11 GLU- HG2 4.10 # 1 9436.0 e 1ceaug 1033 HN 11 GLU- HG3 3.90 # 1 11490.0 e 1ceaug 1034 HN 12 LYS+ HN 3.20 # 2 35920.0 e 1ceaug 100 HN 13 TYR HN 7.00 # w 3 846.0 e 1ceaug 102 HN 14 ALA HN 6.00 # 3 2513.0 e 1ceaug 4102 HN 14 ALA QB 8.00 # 3M .0 e 1ceaug 4104 HA 11 GLU- HB2 3.40 # 2 22110.0 e 1ceaug 105 HA 11 GLU- HB3 3.00 # 2 47990.0 e 1ceaug 103 HA 11 GLU- HG2 3.10 <# 1 44850.0 e 1ceaug 2812 HA 11 GLU- HG3 3.80 ># 1 14760.0 e 1ceaug 1796 HA 12 LYS+ HN 4.10 # 2 7796.0 e 1ceaug 1216 HA 14 ALA HN 4.40 # 3 8642.0 e 1ceaug 1736 HA 14 ALA QB 3.30 # s 3M 42190.0 e 1ceaug 1738 HA 15 ALA HN 7.00 # w 3 422.0 e 1ceaug 2150 HB2 11 GLU- HG2 3.30 # 1 33940.0 e 1ceaug 2807 HB2 11 GLU- HG3 3.40 # 1 26800.0 e 1ceaug 2808 HB2 12 LYS+ HN 4.10 # 2 7657.0 e 1ceaug 111 HB3 11 GLU- HG2 3.00 # 1 58180.0 e 1ceaug 2809 HB3 11 GLU- HG3 4.30 # 1 6673.0 e 1ceaug 2811 HB3 12 LYS+ HN 4.00 # 2 8055.0 e 1ceaug 110 HG2 12 LYS+ HN 7.00 # w 5 2418.0 e 1ceaug 3973 HG3 12 LYS+ HN 7.00 # w 5 1542.0 e 1ceaug 3974 12 LYS+ HN 12 LYS+ HA 3.10 # 2 38340.0 e 1ceaug 1035 HN 12 LYS+ HB2 3.20 # 2 32330.0 e 1ceaug 1037 HN 12 LYS+ HB3 3.20 # 2 32750.0 e 1ceaug 1036 HN 12 LYS+ HG2 5.10 # 1 2286.0 e 1ceaug 1039 HN 12 LYS+ HG3 5.40 # 1 1678.0 e 1ceaug 1038 HN 12 LYS+ HD2 6.50 # 1 560.0 e 1ceaug 2816 HN 12 LYS+ HD3 5.60 # 1 1343.0 e 1ceaug 2817 HN 13 TYR HN 2.90 # 2 54380.0 e 1ceaug 114 HN 13 TYR HA 5.50 # 2 1190.0 e 1ceaug 5249 HN 13 TYR QD 9.00 # r w 5 1268.0*2e 1ceaug 4907 HN 14 ALA HN 5.10 # 3 4896.0 e 1ceaug 4107 HA 12 LYS+ HB2 3.50 # 2 19110.0 e 1ceaug 3625 HA 12 LYS+ HB3 3.40 # 2 20990.0 e 1ceaug 2827 HA 12 LYS+ HG2 4.10 ># 1 8824.0 e 1ceaug 3955 HA 12 LYS+ HG3 2.90 <# 1 69490.0 e 1ceaug 2842 HA 12 LYS+ HD2 5.20 # 1 2039.0 e 1ceaug 2825 HA 12 LYS+ HD3 5.40 # 1 1648.0 e 1ceaug 2824 HA 12 LYS+ QE 7.50 # m 1 560.5*2e 1ceaug 1040 HA 13 TYR HN 4.00 # 2 8660.0 e 1ceaug 1217 HA 13 TYR QD 9.00 # r w 5 598.5*2e 1ceaug 1586 HA 14 ALA HN 7.00 # w 3 788.0 e 1ceaug 4108 HA 15 ALA QB 4.20 # 3M 4346.0 e 1ceaug 1042 HB2 12 LYS+ HG2 4.40 # 1 5940.0 e 1ceaug 2833 HB2 12 LYS+ HG3 4.10 # 1 8603.0 e 1ceaug 2819 HB2 12 LYS+ HD2 3.50 # 1 23240.0 e 1ceaug 2836 HB2 12 LYS+ HD3 4.10 # 1 9173.0 e 1ceaug 3959 HB2 12 LYS+ QE 6.50 # m 1 1515.0*2e 1ceaug 3957 HB2 13 TYR HN 4.20 ># 2 6310.0 e 1ceaug 1532 HB2 13 TYR QD 7.10 # r 5 10345.0*2e 1ceaug 2335 HB2 13 TYR QE 9.00 ># r w 5 422.0*2e 1ceaug 1594 HB3 12 LYS+ HG2 4.10 # 1 9160.0 e 1ceaug 3970 HB3 12 LYS+ HG3 7.00 # w 1 .0 e 1ceaug 2821 HB3 12 LYS+ HD2 3.00 # 1 56190.0 e 1ceaug 3960 HB3 12 LYS+ HD3 3.40 # 1 26700.0 e 1ceaug 3961 HB3 12 LYS+ QE 6.20 # m 1 2164.0*2e 1ceaug 3956 HB3 13 TYR HN 3.50 <# 2 20460.0 e 1ceaug 3975 HB3 13 TYR HA 4.60 # 2 3838.0 e 1ceaug 5291 HB3 13 TYR QE 9.00 <# r w 5 1279.0*2e 1ceaug 5200 HG2 12 LYS+ HD2 3.60 # 1 18910.0 e 1ceaug 3968 HG2 12 LYS+ HD3 3.30 # 1 32550.0 e 1ceaug 2847 HG2 12 LYS+ QE 5.60 # m 1 4595.0*2e 1ceaug 2850 HG2 13 TYR QD 9.00 # r w 5 674.5*2e 1ceaug 4905 HG2 13 TYR QE 9.00 # r w 5 525.0*2e 1ceaug 1578 HG3 12 LYS+ HD2 3.70 # 1 15430.0 e 1ceaug 2845 HG3 12 LYS+ HD3 3.60 # 1 20830.0 e 1ceaug 2846 HG3 12 LYS+ QE 5.60 # m 1 4457.5*2e 1ceaug 2841 HG3 13 TYR HN 7.00 # 5 2853.0 e 1ceaug 1528 HG3 13 TYR QD 9.00 # r w 5 1166.0*2e 1ceaug 4904 HG3 13 TYR QE 9.00 # r w 5 706.5*2e 1ceaug 5328 HD2 13 TYR QD 9.00 # r w 5 568.5*2e 1ceaug 4903 HD3 12 LYS+ QE 4.70 # m 1 16710.0*2e 1ceaug 2830 HD3 13 TYR HN 7.00 # w 5 1964.0 e 1ceaug 1530 HD3 13 TYR QE 7.70 # r 5 6775.0*2e 1ceaug 1593 QE 13 TYR QE 10.00 # mrw 5 2432.8*4e 1ceaug 1766 13 TYR HN 13 TYR HA 3.70 # 2 12980.0 e 1ceaug 118 HN 13 TYR HB2 3.10 # 2 41520.0 e 1ceaug 1044 HN 13 TYR HB3 3.40 # 2 21480.0 e 1ceaug 2857 HN 13 TYR QD 5.60 # r 1 20775.0*2e 1ceaug 2855 HN 14 ALA HN 2.90 # 2 58240.0 e 1ceaug 1536 HN 14 ALA QB 4.70 # 2M 3483.0 e 1ceaug 1525 HN 15 ALA HN 5.80 # 3 2838.0 e 1ceaug 4110 HN 23 LEU QD2 8.00 # 5M 1336.0 e 1ceaug 1939 HN 31 LEU QD1 8.00 # 5M 3238.0 e 1ceaug 4117 HA 13 TYR HB2 3.70 ># 2 13660.0 e 1ceaug 120 HA 13 TYR HB3 3.00 <# 2 51440.0 e 1ceaug 121 HA 13 TYR QD 4.60 # m 1 20620.0*2e 1ceaug 2854 HA 13 TYR QE 6.20 # i 1 1326.5*2e 1ceaug 1584 HA 14 ALA HN 3.90 # 2 10350.0 e 1ceaug 123 HA 16 LYS+ HN 5.90 # 3 2667.0 e 1ceaug 2337 HA 16 LYS+ HB2 5.00 # 3 5305.0 e 1ceaug 4111 HA 16 LYS+ HB3 6.00 # 3 2562.0 e 1ceaug 4112 HB2 13 TYR QD 5.20 # r 1 40880.0*2e 1ceaug 1585 HB2 14 ALA HN 3.50 <# 2 20390.0 e 1ceaug 127 HB2 23 LEU QD1 6.60 # 5M 14280.0 e 1ceaug 2133 HB2 23 LEU QD2 6.30 # 5M 17740.0 e 1ceaug 4248 HB2 31 LEU QD1 5.20 # 5M 37400.0 e 1ceaug 5037 HB3 13 TYR QD 5.20 # r 1 37765.0*2e 1ceaug 1580 HB3 13 TYR QE 6.40 # r 1 5480.0*2e 1ceaug 1581 HB3 14 ALA HN 4.20 ># 2 6360.0 e 1ceaug 129 HB3 23 LEU QD1 8.00 # 5M 6678.0 e 1ceaug 2131 HB3 23 LEU QD2 7.70 # 5M 7679.0 e 1ceaug 1698 HB3 31 LEU HN 7.00 # w 5 1201.0 e 1ceaug 1894 HB3 31 LEU QD1 6.10 # 5M 19830.0 e 1ceaug 5036 QD 13 TYR QE 7.10 # rr 1 46825.0*4e 1ceaug 2881 QD 14 ALA HN 8.50 # r 5 3765.5*2e 1ceaug 2359 QD 23 LEU QD1 10.00 <# r 5M 2335.0*2e 1ceaug 4909 QD 23 LEU QD2 10.00 ># r 5M 421.0*2e 1ceaug 1604 QD 30 LEU HB2 7.40 # r 5 8130.0*2e 1ceaug 5053 QD 30 LEU HB3 7.60 # r 5 7170.0*2e 1ceaug 5054 QD 30 LEU HG 8.10 # r 5 4947.0*2e 1ceaug 2142 QD 30 LEU QD1 9.70 # r 5M 8000.0*2e 1ceaug 5052 QD 30 LEU QD2 10.00 # r 5M 4375.5*2e 1ceaug 5051 QD 31 LEU HN 7.30 # r 5 8570.0*2e 1ceaug 2006 QD 31 LEU HA 7.20 # r 5 9275.0*2e 1ceaug 4123 QD 31 LEU HB2 7.60 <# r 5 7070.0*2e 1ceaug 4120 QD 31 LEU HB3 9.00 ># r w 5 1556.0*2e 1ceaug 4121 QD 31 LEU HG 6.50 # r 5 16735.0*2e 1ceaug 1922 QD 31 LEU QD1 7.90 <# r 5M 22440.0*2e 1ceaug 4119 QD 31 LEU QD2 10.00 ># r 5M 1925.5*2e 1ceaug 2362 QE 30 LEU HB3 6.70 # r 5 13970.0*2e 1ceaug 1595 QE 30 LEU HG 7.60 # r 5 7185.0*2e 1ceaug 5162 QE 30 LEU QD1 10.00 # r 5M 6840.0*2e 1ceaug 5272 QE 30 LEU QD2 10.00 # r 5M 2791.5*2e 1ceaug 5273 QE 31 LEU HN 9.00 # r w 5 799.5*2e 1ceaug 4132 QE 31 LEU HA 5.90 # r 5 30005.0*2e 1ceaug 1765 QE 31 LEU HB2 9.00 # r w 5 2690.5*2e 1ceaug 4131 QE 31 LEU HG 7.10 # r 5 10085.0*2e 1ceaug 4126 QE 31 LEU QD1 10.00 # r 5M 1025.5*2e 1ceaug 1579 QE 31 LEU QD2 10.00 # r 5M 1117.5*2e 1ceaug 2366 QE 34 THR HB 9.00 # r 5 2827.0*2e 1ceaug 1583 QE 34 THR QG2 10.00 # r 5M 4810.0*2e 1ceaug 2368 QE 35 GLU- HG2 9.00 # r w 5 1915.0*2e 1ceaug 5163 14 ALA HN 14 ALA HA 3.20 # 2 35570.0 e 1ceaug 132 HN 14 ALA QB 3.30 # s 2M 87320.0 e 1ceaug 2862 HN 15 ALA HN 3.10 # 2 41370.0 e 1ceaug 1219 HN 15 ALA QB 5.50 # 2M 1341.0 e 1ceaug 1863 HN 16 LYS+ HN 5.30 # 3 4192.0 e 1ceaug 2090 HN 23 LEU HG 7.00 # w 5 .0 e 1ceaug 1853 HN 23 LEU QD1 6.70 # 5M 13760.0 e 1ceaug 5225 HN 23 LEU QD2 5.70 # 5M 25990.0 e 1ceaug 1851 HA 14 ALA QB 3.30 # s 2M 111300.0 e 1ceaug 1685 HA 15 ALA HN 4.60 # 2 3499.0 e 1ceaug 133 HA 15 ALA HA 6.50 # 2 457.0 e 1ceaug 3978 HA 16 LYS+ HN 4.30 # 3 9250.0 e 1ceaug 4135 HA 17 GLU- HN 7.00 # w 3 .0 e 1ceaug 4136 HA 23 LEU HA 3.60 # 4 13570.0 e 1ceaug 4137 HA 23 LEU QD1 5.10 # 5M 42030.0 e 1ceaug 5049 HA 23 LEU QD2 4.50 # 5M 67040.0 e 1ceaug 1684 HA 24 SER HN 4.70 # 4 2491.0 e 1ceaug 1407 QB 15 ALA HN 3.80 # 2M 12560.0 e 1ceaug 4988 QB 15 ALA QB 9.00 # m 5M 4554.0 e 1ceaug 3977 QB 21 ASN HN 8.00 # 5M 2230.0 e 1ceaug 5228 QB 21 ASN HA 5.20 # 5M 37580.0 e 1ceaug 1681 QB 22 GLN HN 6.30 # 5M 17730.0 e 1ceaug 1518 QB 23 LEU HN 8.00 # 5M 4823.0 e 1ceaug 4171 15 ALA HN 15 ALA HA 3.40 # 2 23820.0 e 1ceaug 136 HN 15 ALA QB 3.30 # s 2M 107600.0 e 1ceaug 1046 HN 16 LYS+ HN 3.10 # 2 37420.0 e 1ceaug 2373 HN 20 PRO HA 4.10 # 4 6024.0 e 1ceaug 4140 HN 20 PRO HB2 7.00 # w 5 748.0 e 1ceaug 4141 HN 23 LEU QD1 8.00 # 5M 1158.0 e 1ceaug 4976 HN 23 LEU QD2 8.00 # 5M 932.0 e 1ceaug 4975 HA 15 ALA QB 3.30 # s 2M 107700.0 e 1ceaug 1695 HA 16 LYS+ HN 4.00 # 2 8484.0 e 1ceaug 137 HA 17 GLU- HN 7.00 # w 3 615.0 e 1ceaug 1427 HA 20 PRO HB3 7.00 # w 5 268.0 e 1ceaug 4143 QB 16 LYS+ HN 3.90 # 2M 11110.0 e 1ceaug 3628 16 LYS+ HN 16 LYS+ HA 3.10 # 2 39160.0 e 1ceaug 142 HN 16 LYS+ HB2 3.20 # 2 33260.0 e 1ceaug 1047 HN 16 LYS+ HB3 3.40 # 2 21310.0 e 1ceaug 3629 HN 16 LYS+ HG2 4.20 # 1 7766.0 e 1ceaug 1049 HN 16 LYS+ HG3 4.00 # 1 9749.0 e 1ceaug 1050 HN 16 LYS+ HD2 4.70 # 1 3995.0 e 1ceaug 3979 HN 16 LYS+ HD3 4.90 # 1 2933.0 e 1ceaug 144 HN 17 GLU- HN 3.50 # 2 19690.0 e 1ceaug 3632 HN 27 GLU- HG2 6.90 # 5 3072.0 e 1ceaug 5330 HN 27 GLU- HG3 7.00 # 5 2878.0 e 1ceaug 4146 HA 16 LYS+ HB2 3.20 # 2 35780.0 e 1ceaug 148 HA 16 LYS+ HB3 3.00 # 2 46840.0 e 1ceaug 145 HA 16 LYS+ HG2 3.90 # 1 11680.0 e 1ceaug 2074 HA 16 LYS+ HG3 4.10 # 1 8542.0 e 1ceaug 3992 HA 16 LYS+ HD2 4.40 # 1 6106.0 e 1ceaug 1051 HA 16 LYS+ HD3 4.50 # 1 4772.0 e 1ceaug 3980 HA 17 GLU- HN 3.80 # 2 11040.0 e 1ceaug 149 HB2 16 LYS+ HG2 3.80 # 1 14450.0 e 1ceaug 2087 HB2 16 LYS+ HG3 3.70 # 1 16080.0 e 1ceaug 2086 HB2 16 LYS+ HD2 3.40 # 1 27450.0 e 1ceaug 3989 HB2 16 LYS+ HD3 3.50 # 1 22800.0 e 1ceaug 156 HB2 16 LYS+ HE2 4.80 # 1 3550.0 e 1ceaug 3983 HB2 17 GLU- HN 3.30 # 2 27150.0 e 1ceaug 1423 HB3 16 LYS+ HG2 3.50 # 1 21580.0 e 1ceaug 4152 HB3 16 LYS+ HG3 3.70 # 1 17770.0 e 1ceaug 3999 HB3 16 LYS+ HD2 3.60 # 1 19760.0 e 1ceaug 4147 HB3 16 LYS+ HD3 3.70 # 1 16560.0 e 1ceaug 4148 HB3 16 LYS+ HE2 5.10 # 1 2354.0 e 1ceaug 3982 HB3 17 GLU- HN 3.50 # 2 18000.0 e 1ceaug 154 HB3 27 GLU- HG2 4.70 # 5 14760.0 e 1ceaug 4150 HB3 27 GLU- HG3 4.10 # 5 26030.0 e 1ceaug 4149 HG2 16 LYS+ HD2 2.90 # 1 65150.0 e 1ceaug 2088 HG2 16 LYS+ HD3 3.00 # 1 55040.0 e 1ceaug 4002 HG2 16 LYS+ HE2 3.50 # 1 23790.0 e 1ceaug 2083 HG2 16 LYS+ HE3 4.90 # 1 2958.0 e 1ceaug 2078 HG2 17 GLU- HN 7.00 # w 5 1192.0 e 1ceaug 1827 HG3 16 LYS+ HD2 2.80 # 1 81880.0 e 1ceaug 2870 HG3 16 LYS+ HD3 3.30 # 1 33770.0 e 1ceaug 4003 HG3 16 LYS+ HE2 4.00 # 1 10390.0 e 1ceaug 2082 HG3 16 LYS+ HE3 4.60 # 1 4468.0 e 1ceaug 3994 HG3 17 GLU- HN 7.00 # w 5 1028.0 e 1ceaug 4010 HD2 16 LYS+ HE3 4.60 # 1 4227.0 e 1ceaug 2081 HD2 17 GLU- HN 7.00 # w 5 699.0 e 1ceaug 4008 HD3 16 LYS+ HE2 5.00 # 1 2630.0 e 1ceaug 158 HD3 16 LYS+ HE3 3.90 # 1 11720.0 e 1ceaug 4006 HD3 17 GLU- HN 7.00 # w 5 680.0 e 1ceaug 4009 17 GLU- HN 17 GLU- HA 3.40 # 2 24220.0 e 1ceaug 160 HN 17 GLU- HB2 3.40 # 2 23800.0 e 1ceaug 164 HN 17 GLU- HB3 3.70 # 2 13410.0 e 1ceaug 162 HN 17 GLU- HG2 3.60 # 1 20560.0 e 1ceaug 1054 HN 17 GLU- HG3 3.50 # 1 23730.0 e 1ceaug 1053 HN 18 GLY HN 5.20 # 2 1724.0 e 1ceaug 1446 HN 27 GLU- HB2 5.20 # 5 9501.0 e 1ceaug 1424 HN 27 GLU- HG2 5.30 # 5 9078.0 e 1ceaug 2384 HN 27 GLU- HG3 5.90 # 5 5851.0 e 1ceaug 2386 HA 17 GLU- HB2 3.30 # 2 26720.0 e 1ceaug 167 HA 17 GLU- HB3 3.50 # 2 20550.0 e 1ceaug 165 HA 17 GLU- HG2 3.70 <# 1 15880.0 e 1ceaug 169 HA 17 GLU- HG3 5.40 ># 1 1635.0 e 1ceaug 171 HA 18 GLY HN 2.60 # 2 110000.0 e 1ceaug 173 HB2 17 GLU- HG3 3.00 # 1 53930.0 e 1ceaug 184 HB2 27 GLU- HB3 4.70 # 5 14280.0 e 1ceaug 5293 HB3 17 GLU- HG2 3.30 # 1 32770.0 e 1ceaug 178 HB3 17 GLU- HG3 3.10 # 1 46860.0 e 1ceaug 180 HB3 18 GLY HN 3.30 # 2 25830.0 e 1ceaug 3684 HB3 27 GLU- HB2 5.10 # 5 10460.0 e 1ceaug 5308 HB3 27 GLU- HB3 6.70 # 5 3446.0 e 1ceaug 4153 HG2 18 GLY HN 4.60 # 5 15900.0 e 1ceaug 3685 18 GLY HN 18 GLY HA1 2.80 # 2 71910.0 e 1ceaug 1056 HN 18 GLY HA2 3.20 # 2 35720.0 e 1ceaug 1055 HN 19 ASP- HN 5.10 # 2 2027.0 e 1ceaug 1222 HA1 19 ASP- HN 3.40 # 2 24790.0 e 1ceaug 1224 HA2 19 ASP- HN 2.90 # 2 58960.0 e 1ceaug 1223 19 ASP- HN 19 ASP- HA 3.60 # 2 15130.0 e 1ceaug 188 HN 19 ASP- HB2 3.10 # 2 36580.0 e 1ceaug 190 HN 19 ASP- HB3 3.20 # 2 30220.0 e 1ceaug 2886 HA 19 ASP- HB2 3.60 # 2 16610.0 e 1ceaug 195 HA 19 ASP- HB3 3.20 # 2 34190.0 e 1ceaug 197 HA 20 PRO HD2 3.10 # 5 76720.0 e 1ceaug 2387 HA 20 PRO HD3 3.40 # 5 55870.0 e 1ceaug 2389 HA 21 ASN HN 7.00 # w 3 1302.0 e 1ceaug 4857 HB2 20 PRO HD2 6.20 # 5 4570.0 e 1ceaug 3861 HB2 21 ASN HN 5.30 # 3 4230.0 e 1ceaug 201 HB2 22 GLN HN 5.50 # 3 3616.0 e 1ceaug 203 HB3 20 PRO HD2 6.10 # 5 4985.0 e 1ceaug 3860 HB3 21 ASN HN 5.00 # 3 5228.0 e 1ceaug 206 HB3 22 GLN HN 4.40 # 3 8487.0 e 1ceaug 208 20 PRO HA 20 PRO HB2 5.10 ># 2 2010.0 e 1ceaug 211 HA 20 PRO HB3 4.10 <# 2 7076.0 e 1ceaug 209 HA 21 ASN HN 4.60 # 2 3690.0 e 1ceaug 1225 HB2 20 PRO HG2 4.60 # 1 4623.0 e 1ceaug 2889 HB2 20 PRO HG3 3.20 # 1 40120.0 e 1ceaug 2901 HB2 20 PRO HD2 5.70 # 1 1190.0 e 1ceaug 2888 HB2 20 PRO HD3 5.50 # 1 1545.0 e 1ceaug 2892 HB2 21 ASN HN 5.50 # 2 1268.0 e 1ceaug 1228 HB3 20 PRO HG2 2.90 # 1 68540.0 e 1ceaug 2910 HB3 20 PRO HG3 3.10 # 1 49940.0 e 1ceaug 2902 HB3 20 PRO HD2 5.00 # 1 2527.0 e 1ceaug 2906 HB3 20 PRO HD3 4.80 # 1 3592.0 e 1ceaug 2907 HG2 20 PRO HD2 3.60 # 1 20940.0 e 1ceaug 2900 HG2 20 PRO HD3 3.90 # 1 11060.0 e 1ceaug 1060 HG2 21 ASN HN 5.70 <# 5 6590.0 e 1ceaug 1485 HG3 20 PRO HD2 2.90 # 1 69070.0 e 1ceaug 1061 HG3 20 PRO HD3 3.20 # 1 38510.0 e 1ceaug 1062 HG3 21 ASN HN 7.00 ># w 5 573.0 e 1ceaug 5329 HD2 21 ASN HN 5.80 # 5 6019.0 e 1ceaug 1227 HD3 21 ASN HN 6.20 # 5 4666.0 e 1ceaug 1226 21 ASN HN 21 ASN HA 3.60 # 2 16860.0 e 1ceaug 216 HN 21 ASN HB2 3.00 <# 2 45060.0 e 1ceaug 218 HN 21 ASN HB3 4.10 ># 2 7501.0 e 1ceaug 220 HN 21 ASN HD21 4.60 # 1 4113.0 e 1ceaug 2915 HN 21 ASN HD22 4.80 # 1 3504.0 e 1ceaug 1812 HN 22 GLN HN 2.70 # 2 87310.0 e 1ceaug 222 HA 21 ASN HB2 3.40 # 2 24840.0 e 1ceaug 223 HA 21 ASN HB3 3.00 # 2 45690.0 e 1ceaug 225 HA 21 ASN HD22 7.00 # w 1 219.0 e 1ceaug 2911 HA 22 GLN HN 3.70 # 2 13020.0 e 1ceaug 1230 HA 63 PHE HN 7.00 # w 4 150.0 e 1ceaug 4849 HB2 21 ASN HD21 3.50 # 1 24520.0 e 1ceaug 1650 HB2 21 ASN HD22 4.10 # 1 8169.0 e 1ceaug 1652 HB2 22 GLN HN 4.50 # 2 4017.0 e 1ceaug 1950 HB3 21 ASN HD21 4.40 # 1 5974.0 e 1ceaug 1651 HB3 21 ASN HD22 4.40 # 1 5688.0 e 1ceaug 2919 HB3 22 GLN HN 4.70 # 2 3014.0 e 1ceaug 5191 22 GLN HN 22 GLN HA 4.30 # 2 5392.0 e 1ceaug 230 HN 22 GLN HB2 4.70 ># 2 3039.0 e 1ceaug 1066 HN 22 GLN HB3 4.00 <# 2 8798.0 e 1ceaug 1064 HN 22 GLN HG2 5.10 # 1 2444.0 e 1ceaug 1063 HN 22 GLN HG3 4.60 # 1 4177.0 e 1ceaug 1065 HA 22 GLN HB3 5.30 # 2 1464.0 e 1ceaug 1994 HA 22 GLN HG2 3.90 <# 1 12180.0 e 1ceaug 2927 HA 22 GLN HG3 7.00 ># w 1 282.0 e 1ceaug 1993 HA 23 LEU HN 3.60 # 2 16140.0 e 1ceaug 231 HA 63 PHE HN 5.90 # 4 691.0 e 1ceaug 4848 HB2 22 GLN HG2 4.00 # 1 10480.0 e 1ceaug 2944 HB2 22 GLN HG3 4.00 # 1 10600.0 e 1ceaug 2925 HB2 23 LEU HN 5.00 ># 2 2308.0 e 1ceaug 1417 HB3 22 GLN HG2 5.30 # 1 1776.0 e 1ceaug 2932 HB3 22 GLN HG3 6.10 # 1 807.0 e 1ceaug 2931 HB3 22 GLN HE21 6.00 # 1 883.0 e 1ceaug 2934 HB3 23 LEU HN 4.00 <# 2 8434.0 e 1ceaug 5209 HG2 22 GLN HE21 3.50 # 1 24560.0 e 1ceaug 2928 HG3 22 GLN HE21 4.80 # 1 3458.0 e 1ceaug 1623 23 LEU HN 23 LEU HA 4.00 # 2 8862.0 e 1ceaug 234 HN 23 LEU HB2 3.80 # 2 11730.0 e 1ceaug 235 HN 23 LEU HB3 4.00 # 2 9033.0 e 1ceaug 237 HN 23 LEU HG 4.00 # 1 9657.0 e 1ceaug 1067 HN 23 LEU QD1 5.80 # 1M 2416.0 e 1ceaug 2956 HN 23 LEU QD2 6.50 # 1M 1169.0 e 1ceaug 1413 HN 24 SER HN 6.60 # 2 406.0 e 1ceaug 1231 HN 61 VAL HN 4.00 # 4 7286.0 e 1ceaug 1801 HN 61 VAL HB 5.40 # 5 8359.0 e 1ceaug 4865 HN 61 VAL QG1 8.00 # 5M .0 e 1ceaug 2412 HA 23 LEU HB2 3.60 # 2 17470.0 e 1ceaug 239 HA 23 LEU HB3 3.20 # 2 31100.0 e 1ceaug 241 HA 23 LEU HG 3.70 # 1 15620.0 e 1ceaug 2958 HA 23 LEU QD1 3.90 <# 1M 24990.0 e 1ceaug 2962 HA 23 LEU QD2 5.30 ># 1M 3992.0 e 1ceaug 2967 HA 24 SER HN 2.60 # 2 105600.0 e 1ceaug 243 HA 27 GLU- HN 7.00 # w 3 1103.0 e 1ceaug 4154 HA 27 GLU- HB2 3.90 # 3 14230.0 e 1ceaug 4156 HA 27 GLU- HB3 4.20 # 3 10330.0 e 1ceaug 4157 HA 27 GLU- HG2 7.00 # 5 2859.0 e 1ceaug 4155 HA 27 GLU- HG3 7.00 # w 5 2429.0 e 1ceaug 4158 HA 28 LEU HN 5.10 # 4 1547.0 e 1ceaug 4160 HA 61 VAL HN 5.70 # 4 807.0 e 1ceaug 4260 HB2 23 LEU HG 3.10 # 1 51220.0 e 1ceaug 2959 HB2 23 LEU QD1 3.80 # 1M 31860.0 e 1ceaug 2953 HB2 23 LEU QD2 3.80 # 1M 33440.0 e 1ceaug 2954 HB2 24 SER HN 4.50 # 2 4042.0 e 1ceaug 1410 HB2 28 LEU HN 7.00 ># w 5 1839.0 e 1ceaug 4252 HB2 61 VAL HB 3.10 # 5 75150.0 e 1ceaug 4867 HB2 61 VAL QG1 6.80 # 5M 12630.0 e 1ceaug 4870 HB3 23 LEU HG 3.20 # 1 41790.0 e 1ceaug 2949 HB3 23 LEU QD1 3.70 # 1M 37770.0 e 1ceaug 2950 HB3 23 LEU QD2 4.10 # 1M 18750.0 e 1ceaug 2951 HB3 24 SER HN 3.90 # 2 9525.0 e 1ceaug 247 HB3 27 GLU- HB3 4.30 # 5 20590.0 e 1ceaug 4241 HB3 28 LEU HN 6.20 <# 5 4781.0 e 1ceaug 4163 HB3 28 LEU HA 7.00 # w 5 2466.0 e 1ceaug 4255 HB3 28 LEU HB2 5.20 # 5 9225.0 e 1ceaug 4167 HB3 28 LEU HG 7.00 # w 5 1794.0 e 1ceaug 4168 HB3 28 LEU QD1 5.20 # 5M 37800.0 e 1ceaug 4166 HB3 28 LEU QD2 4.70 # 5M 54900.0 e 1ceaug 4165 HB3 61 VAL HN 7.00 # w 5 505.0 e 1ceaug 5197 HB3 61 VAL HB 3.90 # 5 30210.0 e 1ceaug 4866 HB3 61 VAL QG1 8.00 # 5M 4655.0 e 1ceaug 4869 HG 23 LEU QD1 3.60 # 1M 40090.0 e 1ceaug 2965 HG 23 LEU QD2 3.80 # 1M 30800.0 e 1ceaug 2961 HG 24 SER HN 6.60 # 5 3618.0 e 1ceaug 1411 HG 61 VAL HB 4.80 # 5 13670.0 e 1ceaug 4868 QD1 24 SER HN 7.10 <# 5M 10800.0 e 1ceaug 1412 QD1 27 GLU- HN 8.00 # 5M 1374.0 e 1ceaug 4250 QD1 27 GLU- HB2 7.20 # 5M 10370.0 e 1ceaug 4244 QD1 27 GLU- HB3 5.00 # 5M 44140.0 e 1ceaug 5152 QD1 28 LEU HN 8.00 # 5M 6690.0 e 1ceaug 1855 QD1 28 LEU HA 6.70 # 5M 13850.0 e 1ceaug 5046 QD1 28 LEU QD1 9.00 # m 5M 2167.0 e 1ceaug 5344 QD1 28 LEU QD2 9.00 # m 5M 3768.0 e 1ceaug 5342 QD1 31 LEU HN 8.00 # 5M 996.0 e 1ceaug 5265 QD1 61 VAL HB 5.20 # 5M 37970.0 e 1ceaug 4873 QD1 61 VAL QG1 6.70 # m 5M 26880.0 e 1ceaug 4874 QD1 66 PHE HN 8.00 # 5M 759.0 e 1ceaug 4910 QD1 66 PHE HB3 8.00 # 5M 1743.0 e 1ceaug 4912 QD1 66 PHE QD 8.60 # r 5M 14470.0*2e 1ceaug 4915 QD1 66 PHE QE 10.00 # r 5M 5515.0*2e 1ceaug 4916 QD2 24 SER HN 8.00 ># 5M 2990.0 e 1ceaug 1379 QD2 27 GLU- HB2 8.00 # 5M 2144.0 e 1ceaug 4243 QD2 28 LEU HN 8.00 # 5M 2895.0 e 1ceaug 5226 QD2 28 LEU HA 7.80 # 5M 7250.0 e 1ceaug 1683 QD2 28 LEU QD1 9.00 # m 5M 3390.0 e 1ceaug 5345 QD2 28 LEU QD2 9.00 # m 5M 6309.0 e 1ceaug 5343 QD2 61 VAL HB 5.30 # 5M 36280.0 e 1ceaug 4876 QD2 61 VAL QG1 6.30 # m 5M 34970.0 e 1ceaug 4872 QD2 66 PHE HN 8.00 # 5M 967.0 e 1ceaug 4923 QD2 66 PHE HB3 8.00 # 5M 1578.0 e 1ceaug 4911 QD2 66 PHE QD 7.60 # r 5M 29110.0*2e 1ceaug 4921 QD2 66 PHE QE 9.40 # r 5M 9050.0*2e 1ceaug 4918 24 SER HN 24 SER HA 3.70 # 2 14210.0 e 1ceaug 250 HN 24 SER HB2 3.40 <# 2 22830.0 e 1ceaug 1072 HN 24 SER HB3 4.10 ># 2 7649.0 e 1ceaug 1071 HN 25 LYS+ HN 6.00 # 2 758.0 e 1ceaug 1803 HN 27 GLU- HN 4.20 # 3 10850.0 e 1ceaug 3705 HN 27 GLU- HA 5.80 # 3 2974.0 e 1ceaug 1406 HN 27 GLU- HB2 2.60 # 3 71730.0 e 1ceaug 1408 HN 27 GLU- HB3 3.20 # 3 30120.0 e 1ceaug 3708 HN 27 GLU- HG2 5.40 # 5 8027.0 e 1ceaug 3706 HN 27 GLU- HG3 5.40 # 5 8450.0 e 1ceaug 4172 HN 28 LEU HN 6.80 # 3 1527.0 e 1ceaug 1802 HN 60 GLU- HA 7.00 # w 4 .0 e 1ceaug 1800 HN 61 VAL HN 4.70 # 4 2653.0 e 1ceaug 4258 HA 24 SER HB2 3.50 <# 2 19100.0 e 1ceaug 2975 HA 24 SER HB3 5.60 ># 2 1117.0 e 1ceaug 2972 HA 25 LYS+ HN 2.80 # 2 67110.0 e 1ceaug 251 HA 25 LYS+ HA 6.00 # 2 753.0 e 1ceaug 3855 HA 26 GLU- HN 5.40 # 3 3700.0 e 1ceaug 4043 HA 27 GLU- HN 5.50 # 3 3576.0 e 1ceaug 3704 HB2 25 LYS+ HN 3.80 ># 2 10730.0 e 1ceaug 1468 HB2 26 GLU- HN 5.80 # 3 2827.0 e 1ceaug 2437 HB2 27 GLU- HN 6.90 <# 3 1458.0 e 1ceaug 5298 HB2 27 GLU- HB3 7.00 # w 5 1530.0 e 1ceaug 4179 HB3 25 LYS+ HN 3.10 <# 2 42020.0 e 1ceaug 1469 HB3 26 GLU- HN 5.80 # 3 2833.0 e 1ceaug 2441 HB3 27 GLU- HN 7.00 ># w 3 500.0 e 1ceaug 2017 25 LYS+ HN 25 LYS+ HA 3.30 # 2 27510.0 e 1ceaug 254 HN 25 LYS+ HB2 2.90 # 2 62750.0 e 1ceaug 1475 HN 25 LYS+ HB3 3.10 # 2 36510.0 e 1ceaug 255 HN 25 LYS+ HG2 7.00 # w 1 .0 e 1ceaug 1486 HN 25 LYS+ HG3 5.90 # 1 955.0 e 1ceaug 1502 HN 25 LYS+ QE 8.00 # m w 1 103.0*2e 1ceaug 4261 HN 26 GLU- HN 3.30 # 2 28990.0 e 1ceaug 258 HN 27 GLU- HN 7.00 # w 3 701.0 e 1ceaug 261 HN 28 LEU HN 7.00 # w 3 440.0 e 1ceaug 4198 HN 50 PHE HA 5.90 # 4 636.0 e 1ceaug 4275 HA 25 LYS+ HB2 2.80 <# 2 68150.0 e 1ceaug 264 HA 25 LYS+ HB3 3.40 ># 2 21190.0 e 1ceaug 266 HA 25 LYS+ HG2 4.10 # 1 8918.0 e 1ceaug 1075 HA 25 LYS+ HG3 3.90 # 1 11150.0 e 1ceaug 2981 HA 25 LYS+ QE 5.60 # m 1 4548.0*2e 1ceaug 4183 HA 26 GLU- HN 4.20 # 2 6285.0 e 1ceaug 267 HA 27 GLU- HN 7.00 # w 3 701.0 e 1ceaug 4196 HA 28 LEU HN 4.40 # 3 9149.0 e 1ceaug 1472 HA 28 LEU HB3 4.00 # 3 13340.0 e 1ceaug 5038 HA 28 LEU QD1 8.00 ># 5M 3344.0 e 1ceaug 4264 HA 28 LEU QD2 7.20 <# 5M 10150.0 e 1ceaug 4265 HA 29 LYS+ HN 6.20 # 3 2191.0 e 1ceaug 4237 HA 46 LEU QD1 8.00 <# 5M 3370.0 e 1ceaug 4209 HA 46 LEU QD2 8.00 ># 5M 1278.0 e 1ceaug 4268 HA 50 PHE HA 5.00 # 4 1806.0 e 1ceaug 4276 HA 50 PHE HB2 5.70 # 5 6527.0 e 1ceaug 4279 HA 50 PHE HB3 5.20 # 5 9425.0 e 1ceaug 4281 HA 50 PHE QD 6.50 # r 5 17535.0*2e 1ceaug 4219 HB2 25 LYS+ HG2 3.40 # 1 29000.0 e 1ceaug 2998 HB2 25 LYS+ HG3 3.20 # 1 40130.0 e 1ceaug 4188 HB2 25 LYS+ QD 5.00 # m 1 10895.0*2e 1ceaug 2988 HB2 25 LYS+ QE 5.40 ># m 1 5735.0*2e 1ceaug 2985 HB2 26 GLU- HN 3.70 # 2 18730.0 e 1ceaug 1520 HB2 50 PHE QD 7.60 # r 5 7205.0*2e 1ceaug 4283 HB3 25 LYS+ HG2 3.40 # 1 29970.0 e 1ceaug 4187 HB3 25 LYS+ HG3 3.50 # 1 24580.0 e 1ceaug 2993 HB3 25 LYS+ QE 4.60 <# m 1 18015.0*2e 1ceaug 4184 HB3 26 GLU- HN 3.30 # 2 28120.0 e 1ceaug 1541 HG2 25 LYS+ QD 4.00 <# m 1 60350.0*2e 1ceaug 2996 HG2 25 LYS+ QE 5.30 # m 1 6555.0*2e 1ceaug 2984 HG2 26 GLU- HA 5.50 # 5 7580.0 e 1ceaug 4191 HG2 29 LYS+ HN 6.00 # 5 5228.0 e 1ceaug 4204 HG2 29 LYS+ HB2 5.00 # 5 11100.0 e 1ceaug 4202 HG2 29 LYS+ HB3 4.90 # 5 12060.0 e 1ceaug 4203 HG2 46 LEU QD1 3.90 # 5M 115900.0 e 1ceaug 2199 HG2 46 LEU QD2 4.60 # 5M 62040.0 e 1ceaug 4272 HG2 50 PHE HB3 7.00 # w 5 2616.0 e 1ceaug 4218 HG2 50 PHE QD 5.50 # r 5 47185.0*2e 1ceaug 4282 HG3 25 LYS+ QD 4.70 ># m 1 17550.0*2e 1ceaug 2986 HG3 25 LYS+ QE 5.80 # m 1 3564.0*2e 1ceaug 4182 HG3 26 GLU- HN 7.00 # w 5 .0 e 1ceaug 3853 HG3 46 LEU QD1 5.20 # 5M 38710.0 e 1ceaug 4271 HG3 46 LEU QD2 6.80 # 5M 12940.0 e 1ceaug 5340 HG3 47 ASP- HA 7.00 # w 5 2045.0 e 1ceaug 4213 QD 25 LYS+ QE 7.70 # mm 1 1130.5*4e 1ceaug 1720 QE 46 LEU QD1 9.00 <# m 5M 4567.5*2e 1ceaug 4211 QE 46 LEU QD2 9.00 ># m 5M 1437.0*2e 1ceaug 5338 26 GLU- HN 26 GLU- HA 3.30 # 2 25940.0 e 1ceaug 271 HN 26 GLU- HB2 3.00 # 2 47120.0 e 1ceaug 276 HN 26 GLU- HB3 3.20 # 2 34300.0 e 1ceaug 273 HN 26 GLU- HG2 3.90 # 1 12760.0 e 1ceaug 3693 HN 26 GLU- HG3 4.10 # 1 8863.0 e 1ceaug 3003 HN 27 GLU- HN 3.10 # 2 39190.0 e 1ceaug 277 HN 28 LEU HN 5.60 # 3 3296.0 e 1ceaug 279 HN 29 LYS+ HN 5.10 # 3 4997.0 e 1ceaug 4229 HA 26 GLU- HB2 3.10 # 2 38780.0 e 1ceaug 283 HA 26 GLU- HB3 3.40 # 2 23090.0 e 1ceaug 281 HA 26 GLU- HG2 5.30 # 1 1762.0 e 1ceaug 3697 HA 26 GLU- HG3 4.80 # 1 3489.0 e 1ceaug 3005 HA 27 GLU- HN 4.40 # 2 4554.0 e 1ceaug 3701 HA 28 LEU HN 6.00 # 3 2594.0 e 1ceaug 4225 HA 29 LYS+ HN 4.50 # 3 8020.0 e 1ceaug 4285 HA 29 LYS+ HB2 3.70 # 3 16910.0 e 1ceaug 4231 HA 29 LYS+ HB3 4.00 # 3 13420.0 e 1ceaug 1743 HB2 26 GLU- HG2 3.40 # 1 28290.0 e 1ceaug 292 HB2 26 GLU- HG3 3.10 # 1 46090.0 e 1ceaug 3009 HB2 27 GLU- HN 3.70 # 2 12620.0 e 1ceaug 290 HB3 26 GLU- HG2 3.10 # 1 50600.0 e 1ceaug 3695 HB3 26 GLU- HG3 3.20 # 1 38880.0 e 1ceaug 3008 HB3 27 GLU- HN 3.40 # 2 22760.0 e 1ceaug 288 HG2 27 GLU- HN 7.00 ># w 5 416.0 e 1ceaug 3703 HG3 27 GLU- HN 5.20 <# 5 9927.0 e 1ceaug 3702 27 GLU- HN 27 GLU- HA 3.20 # 2 36220.0 e 1ceaug 294 HN 27 GLU- HB2 3.10 # 2 37150.0 e 1ceaug 298 HN 27 GLU- HB3 3.60 # 2 17340.0 e 1ceaug 295 HN 27 GLU- HG2 3.60 # 1 18310.0 e 1ceaug 299 HN 27 GLU- HG3 3.60 # 1 20020.0 e 1ceaug 301 HN 28 LEU HN 3.00 # 2 45440.0 e 1ceaug 303 HN 29 LYS+ HN 5.00 # 3 5415.0 e 1ceaug 3852 HA 27 GLU- HB2 3.60 # 2 16950.0 e 1ceaug 307 HA 27 GLU- HB3 3.20 # 2 33700.0 e 1ceaug 305 HA 27 GLU- HG2 3.40 # 1 29520.0 e 1ceaug 310 HA 27 GLU- HG3 3.50 # 1 24410.0 e 1ceaug 4159 HA 28 LEU HN 3.90 # 2 10000.0 e 1ceaug 1233 HA 29 LYS+ HN 5.60 # 3 3259.0 e 1ceaug 4238 HA 30 LEU HN 4.40 # 3 8646.0 e 1ceaug 311 HA 30 LEU HB2 4.00 # 3 13550.0 e 1ceaug 313 HA 30 LEU HG 4.40 # 5 18360.0 e 1ceaug 5306 HA 30 LEU QD1 7.00 # 5M 11460.0 e 1ceaug 4288 HA 31 LEU HN 5.30 # 3 4213.0 e 1ceaug 1886 HB2 27 GLU- HG2 3.70 # 1 17000.0 e 1ceaug 325 HB2 27 GLU- HG3 2.80 # 1 96020.0 e 1ceaug 327 HB2 28 LEU HN 3.30 <# 2 26640.0 e 1ceaug 4236 HB3 27 GLU- HG2 3.50 # 1 24140.0 e 1ceaug 319 HB3 27 GLU- HG3 3.20 # 1 36680.0 e 1ceaug 321 HB3 28 LEU HN 4.40 ># 2 5063.0 e 1ceaug 324 HB3 30 LEU QD1 8.00 # 5M 4397.0 e 1ceaug 5201 HB3 30 LEU QD2 8.00 # 5M 4664.0 e 1ceaug 5333 HG2 30 LEU QD1 8.00 # 5M 5500.0 e 1ceaug 4289 HG2 31 LEU QD1 8.00 # 5M 2583.0 e 1ceaug 4292 28 LEU HN 28 LEU HA 3.60 # 2 16530.0 e 1ceaug 332 HN 28 LEU HB3 2.90 # 2 65490.0 e 1ceaug 1078 HN 28 LEU QD1 4.60 # 1M 10080.0 e 1ceaug 1842 HN 28 LEU QD2 4.80 # 1M 7303.0 e 1ceaug 1843 HN 29 LYS+ HN 3.00 # 2 45710.0 e 1ceaug 334 HN 30 LEU HN 5.30 # 3 4166.0 e 1ceaug 4293 HN 31 LEU HN 7.00 # w 3 958.0 e 1ceaug 4296 HN 50 PHE QD 9.00 # r w 5 400.5*2e 1ceaug 1455 HA 28 LEU HB2 4.80 ># 2 2747.0 e 1ceaug 3013 HA 28 LEU HB3 3.90 <# 2 9733.0 e 1ceaug 1844 HA 28 LEU HG 5.10 # 1 2442.0 e 1ceaug 1745 HA 28 LEU QD1 4.50 # 1M 11040.0 e 1ceaug 1834 HA 28 LEU QD2 4.40 # 1M 13480.0 e 1ceaug 1833 HA 29 LYS+ HN 4.20 # 2 6088.0 e 1ceaug 3713 HA 29 LYS+ HA 5.50 # 2 1289.0 e 1ceaug 4301 HA 30 LEU HN 6.40 # 3 1966.0 e 1ceaug 4294 HA 31 LEU HN 3.60 # 3 20540.0 e 1ceaug 1744 HA 31 LEU HB2 3.80 # 3 16650.0 e 1ceaug 4307 HA 31 LEU HB3 3.60 # 3 20910.0 e 1ceaug 4303 HA 31 LEU QD1 6.30 # 5M 17090.0 e 1ceaug 4310 HA 31 LEU QD2 6.40 # 5M 16560.0 e 1ceaug 4311 HA 32 LEU HN 4.30 # 3 9883.0 e 1ceaug 4357 HB2 28 LEU HG 3.60 ># 1 18680.0 e 1ceaug 3020 HB2 28 LEU QD1 4.00 # 1M 22380.0 e 1ceaug 1840 HB2 28 LEU QD2 4.40 # 1M 13360.0 e 1ceaug 1837 HB2 29 LYS+ HN 4.30 ># 2 5726.0 e 1ceaug 1501 HB3 28 LEU HG 2.60 <# 1 126600.0 e 1ceaug 3015 HB3 28 LEU QD1 3.50 # 1M 50950.0 e 1ceaug 4314 HB3 28 LEU QD2 3.60 # 1M 43310.0 e 1ceaug 1835 HB3 29 LYS+ HN 3.60 <# 2 15210.0 e 1ceaug 1897 HB3 31 LEU HN 6.50 # 3 1859.0 e 1ceaug 4316 HB3 32 LEU HG 4.90 # 5 12310.0 e 1ceaug 4322 HG 28 LEU QD1 4.10 <# 1M 21010.0 e 1ceaug 3022 HG 28 LEU QD2 6.40 ># 1M 1344.0 e 1ceaug 3021 HG 29 LYS+ HN 7.00 # w 5 1099.0 e 1ceaug 1902 HG 31 LEU HB3 5.50 # 5 7362.0 e 1ceaug 4312 HG 32 LEU HN 6.50 # 5 3888.0 e 1ceaug 4323 HG 32 LEU HB2 4.60 # 5 15680.0 e 1ceaug 4318 HG 32 LEU HB3 4.90 # 5 12320.0 e 1ceaug 4331 HG 32 LEU HG 2.90 # 5 101300.0 e 1ceaug 4325 HG 32 LEU QD1 8.00 # 5M 1747.0 e 1ceaug 4327 QD1 29 LYS+ HN 8.00 # 5M 5779.0 e 1ceaug 1848 QD2 29 LYS+ HN 8.00 # 5M 4822.0 e 1ceaug 2479 29 LYS+ HN 29 LYS+ HA 3.10 # 2 36540.0 e 1ceaug 336 HN 29 LYS+ HB2 2.90 # 2 55890.0 e 1ceaug 338 HN 29 LYS+ HB3 3.00 # 2 52410.0 e 1ceaug 339 HN 29 LYS+ HG2 5.00 ># 1 2574.0 e 1ceaug 342 HN 29 LYS+ HG3 4.30 <# 1 6881.0 e ! 1ceaug 344 HN 29 LYS+ QD 5.60 # m 1 4101.5*2e 1ceaug 4337 HN 29 LYS+ QE 7.50 # m 1 547.5*2e 1ceaug 3709 HN 30 LEU HN 3.10 # 2 38430.0 e ! 1ceaug 3850 HN 30 LEU HG 6.60 # 5 3566.0 e 1ceaug 4340 HN 31 LEU HN 5.10 # 3 4876.0 e 1ceaug 2154 HN 31 LEU QD2 8.00 # 5M 1315.0 e 1ceaug 5335 HN 32 LEU HN 5.30 # 3 4281.0 e 1ceaug 4353 HN 32 LEU QD2 8.00 # 5M 1316.0 e 1ceaug 5212 HN 46 LEU HG 7.00 # w 5 2030.0 e 1ceaug 4371 HN 46 LEU QD1 7.90 # 5M 7154.0 e 1ceaug 4373 HN 46 LEU QD2 7.60 # 5M 8155.0 e 1ceaug 4372 HA 29 LYS+ HB2 2.80 # 2 69460.0 e 1ceaug 348 HA 29 LYS+ HB3 3.20 # 2 31130.0 e 1ceaug 350 HA 29 LYS+ HG2 3.90 # 1 11460.0 e 1ceaug 352 HA 29 LYS+ HG3 3.50 # 1 24380.0 e 1ceaug 353 HA 29 LYS+ QD 8.00 # m w 1 129.5*2e 1ceaug 1082 HA 30 LEU HN 3.90 # 2 10380.0 e 1ceaug 1234 HA 30 LEU HA 5.50 # 2 1296.0 e 1ceaug 4343 HA 31 LEU HN 7.00 # w 3 606.0 e 1ceaug 1556 HA 32 LEU HN 4.30 # 3 9834.0 e 1ceaug 355 HA 32 LEU QD1 6.40 # 5M 16340.0 e 1ceaug 4355 HA 33 GLN HN 5.20 # 3 4400.0 e 1ceaug 357 HA 40 LEU QD1 7.80 # 5M 7267.0 e 1ceaug 4361 HA 46 LEU QD1 6.50 # 5M 15790.0 e 1ceaug 2196 HA 46 LEU QD2 6.70 # 5M 13730.0 e 1ceaug 4374 HB2 29 LYS+ HG2 3.50 # 1 24580.0 e 1ceaug 364 HB2 29 LYS+ HG3 3.10 # 1 49760.0 e 1ceaug 366 HB2 29 LYS+ QD 4.10 # m 1 47070.0*2e 1ceaug 3034 HB2 30 LEU HN 3.70 # 2 13020.0 e 1ceaug 367 HB2 46 LEU QD1 6.90 # 5M 11800.0 e 1ceaug 5309 HB2 46 LEU QD2 6.00 # 5M 21250.0 e 1ceaug 5310 HB3 29 LYS+ HG2 4.00 # 1 10810.0 e 1ceaug 370 HB3 29 LYS+ HG3 4.00 # 1 10660.0 e 1ceaug 372 HB3 29 LYS+ QD 4.30 # m 1 31450.0*2e 1ceaug 3030 HB3 29 LYS+ QE 6.00 # m 1 2650.5*2e 1ceaug 3028 HB3 30 LEU HN 3.30 # 2 27200.0 e 1ceaug 1904 HB3 46 LEU QD1 7.50 # 5M 8868.0 e 1ceaug 4378 HB3 46 LEU QD2 8.00 # 5M 5086.0 e 1ceaug 4377 HG2 29 LYS+ QD 4.80 # m 1 13195.0*2e 1ceaug 3036 HG2 30 LEU HN 7.00 # w 5 2477.0 e 1ceaug 1909 HG2 30 LEU HA 7.00 # w 5 1103.0 e 1ceaug 4345 HG2 30 LEU HG 4.60 # 5 15080.0 e 1ceaug 4346 HG2 30 LEU QD1 8.00 # 5M 6315.0 e 1ceaug 4348 HG2 30 LEU QD2 7.90 # 5M 6958.0 e 1ceaug 5334 HG2 46 LEU QD1 6.10 # 5M 19760.0 e 1ceaug 4382 HG2 46 LEU QD2 5.90 # 5M 23280.0 e 1ceaug 4381 HG3 29 LYS+ QD 4.30 # m 1 31810.0*2e 1ceaug 3035 HG3 40 LEU QD1 8.00 # 5M 2556.0 e 1ceaug 4369 HG3 40 LEU QD2 8.00 # 5M 4388.0 e 1ceaug 4365 HG3 46 LEU QD1 8.00 # 5M 6634.0 e 1ceaug 4383 HG3 46 LEU QD2 6.10 # 5M 19790.0 e 1ceaug 4379 QD 29 LYS+ QE 5.70 # mm 1 16937.5*4e 1ceaug 3032 QD 30 LEU HN 7.50 # m 5 3844.0*2e 1ceaug 4344 QE 46 LEU QD1 9.00 ># m 5M 740.5*2e 1ceaug 5336 QE 46 LEU QD2 9.00 <# m 5M 3373.0*2e 1ceaug 4376 30 LEU HN 30 LEU HA 3.10 # 2 43390.0 e 1ceaug 380 HN 30 LEU HB2 3.30 # 2 26040.0 e 1ceaug 382 HN 30 LEU HB3 3.80 # 2 12480.0 e 1ceaug 384 HN 30 LEU HG 3.20 # 1 39050.0 e 1ceaug 1087 HN 30 LEU QD1 5.00 # 1M 5957.0 e 1ceaug 5271 HN 30 LEU QD2 4.90 # 1M 6717.0 e 1ceaug 3043 HN 31 LEU HN 3.10 # 2 40340.0 e 1ceaug 385 HN 32 LEU HN 6.60 # 3 1682.0 e 1ceaug 4393 HA 30 LEU HB2 3.20 # 2 32520.0 e 1ceaug 387 HA 30 LEU HB3 3.20 # 2 33250.0 e 1ceaug 389 HA 30 LEU HG 3.50 # 1 23550.0 e 1ceaug 3044 HA 30 LEU QD1 4.40 # 1M 12160.0 e 1ceaug 3042 HA 30 LEU QD2 4.70 # 1M 9148.0 e 1ceaug 1085 HA 31 LEU HN 4.00 # 2 8866.0 e 1ceaug 1235 HA 32 LEU HN 7.00 # w 3 .0 e 1ceaug 4395 HA 33 GLN HN 4.10 # 3 11340.0 e 1ceaug 1471 HA 33 GLN HB2 4.10 # 3 11630.0 e 1ceaug 4397 HA 33 GLN HB3 3.80 # 3 15520.0 e 1ceaug 5311 HB2 30 LEU HG 3.20 # 1 36180.0 e 1ceaug 3057 HB2 30 LEU QD1 3.80 # 1M 29950.0 e 1ceaug 3059 HB2 30 LEU QD2 3.80 # 1M 29640.0 e 1ceaug 3058 HB2 31 LEU HN 3.30 # 2 26480.0 e 1ceaug 4304 HB2 31 LEU HA 4.40 # 2 4556.0 e 1ceaug 4389 HB3 30 LEU QD1 3.70 # 1M 37250.0 e 1ceaug 3054 HB3 30 LEU QD2 3.80 # 1M 31730.0 e 1ceaug 3049 HB3 31 LEU HN 3.40 # 2 22090.0 e 1ceaug 1511 HB3 31 LEU HA 5.00 # 2 2212.0 e 1ceaug 4391 HG 30 LEU QD1 3.80 # 1M 30210.0 e 1ceaug 3048 HG 30 LEU QD2 3.80 # 1M 33680.0 e 1ceaug 3047 HG 31 LEU HN 4.20 # 5 22600.0 e ! 1ceaug 3712 QD1 31 LEU HN 8.00 # 5M 5507.0 e 1ceaug 3711 QD1 33 GLN HE21 8.00 # 5M 2389.0 e 1ceaug 1924 QD1 33 GLN HE22 8.00 # 5M 2167.0 e 1ceaug 5009 QD2 31 LEU HN 8.00 # 5M 6499.0 e 1ceaug 3710 QD2 33 GLN HE21 8.00 # 5M 1140.0 e 1ceaug 5332 QD2 33 GLN HE22 8.00 # 5M 1263.0 e 1ceaug 5275 31 LEU HN 31 LEU HA 3.20 # 2 35030.0 e 1ceaug 394 HN 31 LEU HB2 2.90 # 2 60790.0 e 1ceaug 395 HN 31 LEU HB3 2.80 # 2 70800.0 e 1ceaug 1509 HN 31 LEU HG 4.30 # 1 6432.0 e 1ceaug 3079 HN 31 LEU QD1 5.10 # 1M 5008.0 e 1ceaug 3074 HN 31 LEU QD2 5.40 # 1M 3698.0 e 1ceaug 3069 HN 32 LEU HN 3.50 # 2 18420.0 e 1ceaug 398 HN 33 GLN HN 5.70 # 3 3170.0 e 1ceaug 399 HA 31 LEU HB2 3.00 <# 2 45840.0 e 1ceaug 402 HA 31 LEU HB3 3.60 ># 2 16860.0 e 1ceaug 403 HA 31 LEU HG 2.90 # 1 66230.0 e 1ceaug 3066 HA 31 LEU QD1 5.40 # 1M 3532.0 e 1ceaug 3068 HA 31 LEU QD2 4.70 # 1M 8362.0 e 1ceaug 3067 HA 32 LEU HN 4.40 # 2 4579.0 e 1ceaug 1236 HA 34 THR HB 3.70 # 3 17160.0 e 1ceaug 2494 HA 35 GLU- HN 4.20 # 3 11040.0 e 1ceaug 2153 HA 35 GLU- HB2 3.40 # 3 25880.0 e 1ceaug 5042 HA 35 GLU- HB3 3.60 # 3 24880.0 e 1ceaug 5041 HB2 31 LEU QD1 3.90 # 1M 26330.0 e 1ceaug 3076 HB2 31 LEU QD2 4.00 # 1M 23340.0 e 1ceaug 3071 HB2 32 LEU HN 3.40 # 2 21830.0 e 1ceaug 4469 HB2 33 GLN HN 6.40 # 3 1925.0 e 1ceaug 408 HB3 31 LEU HG 4.40 # 1 5844.0 e 1ceaug 3061 HB3 31 LEU QD1 3.90 # 1M 26170.0 e 1ceaug 3075 HB3 31 LEU QD2 4.10 # 1M 18910.0 e 1ceaug 3070 HB3 32 LEU HN 2.90 # 2 54490.0 e 1ceaug 1500 HG 31 LEU QD1 3.30 # s 1M 101100.0 e 1ceaug 4474 HG 31 LEU QD2 3.30 # s 1M 177300.0 e 1ceaug 3072 QD1 32 LEU HN 8.00 # 5M 4546.0 e 1ceaug 4470 QD1 66 PHE QD 10.00 # r 5M 5970.0*2e 1ceaug 1575 QD1 66 PHE QE 8.10 <# r 5M 20590.0*2e 1ceaug 4937 QD2 35 GLU- HN 8.00 # 5M 2194.0 e 1ceaug 5222 QD2 35 GLU- HB2 6.80 # 5M 12910.0 e 1ceaug 2163 QD2 35 GLU- HB3 6.70 # 5M 13850.0 e 1ceaug 2162 QD2 36 PHE QE 10.00 # r 5M 6090.0*2e 1ceaug 1926 QD2 66 PHE QD 9.40 # r 5M 8970.0*2e 1ceaug 4938 QD2 66 PHE QE 10.00 ># r 5M 6760.0*2e 1ceaug 4940 32 LEU HN 32 LEU HA 3.10 # 2 38760.0 e 1ceaug 1091 HN 32 LEU HB2 2.80 <# 2 77210.0 e 1ceaug 1092 HN 32 LEU HB3 3.80 ># 2 12210.0 e 1ceaug 1093 HN 32 LEU HG 3.10 # 1 47380.0 e 1ceaug 3841 HN 32 LEU QD1 4.30 # 1M 15010.0 e 1ceaug 3098 HN 32 LEU QD2 3.80 # 1M 29510.0 e 1ceaug 3094 HN 33 GLN HN 3.00 # 2 46790.0 e 1ceaug 409 HN 34 THR HN 6.60 # 3 1715.0 e 1ceaug 5157 HN 34 THR QG2 8.00 # 5M 2200.0 e 1ceaug 1490 HN 35 GLU- HB2 5.60 # 3 3291.0 e 1ceaug 5171 HN 40 LEU QD1 8.00 # 5M 3458.0 e 1ceaug 4100 HA 32 LEU HB2 3.60 # 2 15120.0 e 1ceaug 3081 HA 32 LEU HB3 3.30 # 2 26920.0 e 1ceaug 3082 HA 32 LEU HG 3.70 # 1 16440.0 e 1ceaug 5299 HA 32 LEU QD1 4.90 ># 1M 6932.0 e 1ceaug 1095 HA 32 LEU QD2 3.30 <# s 1M 121000.0 e 1ceaug 1094 HA 33 GLN HN 3.90 # 2 9978.0 e 1ceaug 1237 HA 35 GLU- HN 5.40 # 3 3727.0 e 1ceaug 5174 HA 36 PHE HN 3.30 # 3 29090.0 e 1ceaug 2165 HA 36 PHE HB2 3.90 <# 3 14200.0 e 1ceaug 2497 HA 36 PHE HB3 5.40 ># 3 3847.0 e 1ceaug 2499 HA 36 PHE QD 7.70 # r 5 6830.0*2e 1ceaug 5044 HA 37 PRO HA 5.20 # 4 1391.0 e 1ceaug 4963 HB2 32 LEU HG 2.70 <# 1 115800.0 e 1ceaug 5300 HB2 32 LEU QD1 3.50 # 1M 51720.0 e 1ceaug 3099 HB2 32 LEU QD2 3.90 # 1M 27710.0 e 1ceaug 3095 HB2 33 GLN HN 3.30 <# 2 25040.0 e 1ceaug 4401 HB2 37 PRO HA 7.00 # w 5 809.0 e 1ceaug 4964 HB3 32 LEU HG 3.40 ># 1 26460.0 e 1ceaug 3843 HB3 32 LEU QD1 3.50 # 1M 52030.0 e 1ceaug 3100 HB3 32 LEU QD2 3.80 # 1M 32250.0 e 1ceaug 3096 HB3 33 GLN HN 4.10 ># 2 7351.0 e 1ceaug 3847 HB3 37 PRO HA 7.00 # w 5 1847.0 e 1ceaug 4965 HB3 40 LEU HN 7.00 # w 5 .0 e 1ceaug 5374 HB3 40 LEU HB3 7.00 # w 5 2019.0 e 1ceaug 5378 HG 32 LEU QD1 3.50 # 1M 48620.0 e 1ceaug 3845 HG 32 LEU QD2 3.30 # s 1M 87060.0 e 1ceaug 3844 HG 69 LEU QD2 8.00 # 5M 1007.0 e 1ceaug 4983 QD1 33 GLN HN 8.00 <# 5M 4840.0 e 1ceaug 4844 QD1 36 PHE QD 10.00 ># r 5M 5075.0*2e ! 1ceaug 1598 QD1 40 LEU HB2 8.00 # 5M 858.0 e 1ceaug 5379 QD1 40 LEU HB3 8.00 # 5M 1806.0 e 1ceaug 5377 QD2 33 GLN HN 8.00 ># 5M 1745.0 e 1ceaug 3848 QD2 36 PHE HN 7.50 # 5M 8505.0 e 1ceaug 5220 QD2 36 PHE HB2 5.40 # 5M 31920.0 e 1ceaug 1712 QD2 36 PHE HB3 6.90 # 5M 11940.0 e 1ceaug 1707 QD2 36 PHE QD 8.00 <# r 5M 21505.0*2e 1ceaug 1524 QD2 69 LEU QD1 5.60 # m 5M 64410.0 e 1ceaug 5031 QD2 69 LEU QD2 5.50 # m 5M 65820.0 e 1ceaug 5030 33 GLN HN 33 GLN HA 3.20 # 2 32530.0 e 1ceaug 411 HN 33 GLN HB2 3.20 <# 2 35420.0 e 1ceaug 1211 HN 33 GLN HB3 4.00 ># 2 8598.0 e 1ceaug 1212 HN 33 GLN HG2 5.10 ># 1 2339.0 e 1ceaug 3113 HN 33 GLN HG3 3.90 <# 1 12210.0 e 1ceaug 3117 HN 33 GLN HE21 6.20 # 1 719.0 e 1ceaug 4475 HN 34 THR HN 3.20 # 2 32280.0 e 1ceaug 3634 HN 35 GLU- HN 4.50 # 3 7902.0 e 1ceaug 4403 HN 40 LEU QD1 6.80 # 5M 12550.0 e 1ceaug 1494 HA 33 GLN HB2 3.80 # 2 12450.0 e 1ceaug 1098 HA 33 GLN HB3 3.20 # 2 30380.0 e 1ceaug 3104 HA 33 GLN HG2 3.80 <# 1 13260.0 e 1ceaug 3111 HA 33 GLN HG3 5.70 ># 1 1156.0 e 1ceaug 1096 HA 34 THR HN 3.90 # 2 10550.0 e 1ceaug 413 HA 37 PRO HA 3.10 # 3 38360.0 e 1ceaug 4404 HA 37 PRO HB2 6.20 # 3 2142.0 e 1ceaug 4406 HA 37 PRO HB3 6.80 # 3 1509.0 e 1ceaug 4407 HA 40 LEU QD1 6.50 # 5M 15130.0 e 1ceaug 4414 HB2 33 GLN HG2 3.10 # 1 50200.0 e 1ceaug 3106 HB2 33 GLN HG3 3.40 # 1 29300.0 e 1ceaug 2098 HB2 34 THR HN 3.50 # 2 18000.0 e 1ceaug 3635 HB3 33 GLN HG2 3.20 # 1 41380.0 e 1ceaug 2100 HB3 33 GLN HG3 3.50 # 1 23320.0 e 1ceaug 2099 HB3 34 THR HN 3.70 # 2 12930.0 e 1ceaug 3840 HG2 33 GLN HE21 4.10 # 1 8540.0 e 1ceaug 1940 HG2 33 GLN HE22 4.60 # 1 4399.0 e 1ceaug 2092 HG2 34 THR HN 7.00 # w 5 269.0 e 1ceaug 3839 HG2 37 PRO HA 5.90 # 5 5847.0 e 1ceaug 4970 HG2 40 LEU QD1 8.00 # 5M 6851.0 e 1ceaug 4417 HG3 33 GLN HE21 4.40 # 1 5565.0 e 1ceaug 1941 HG3 33 GLN HE22 4.30 # 1 6629.0 e 1ceaug 2093 HG3 34 THR HN 7.00 # w 5 410.0 e 1ceaug 3838 HG3 37 PRO HA 7.00 # w 5 2504.0 e 1ceaug 4969 HG3 40 LEU QD1 7.50 # 5M 8682.0 e 1ceaug 4418 HE21 40 LEU QD1 8.00 # 5M 985.0 e 1ceaug 5276 HE21 40 LEU QD2 8.00 # 5M 1709.0 e 1ceaug 4420 HE22 40 LEU QD1 8.00 # 5M 1670.0 e 1ceaug 5208 34 THR HN 34 THR HA 3.30 # 2 27660.0 e 1ceaug 416 HN 34 THR HB 3.30 # 2 28200.0 e 1ceaug 1101 HN 34 THR QG2 4.70 # 1M 8948.0 e 1ceaug 3123 HN 35 GLU- HN 3.10 # 2 36470.0 e 1ceaug 3605 HN 35 GLU- HB2 6.40 # 2 495.0 e 1ceaug 4421 HN 35 GLU- HG2 7.00 # w 5 1729.0 e 1ceaug 4422 HN 36 PHE HN 4.40 # 3 8550.0 e 1ceaug 2520 HA 34 THR HB 3.10 # 2 38830.0 e 1ceaug 3121 HA 34 THR QG2 3.60 # 1M 42340.0 e 1ceaug 3119 HA 35 GLU- HN 4.00 # 2 8946.0 e 1ceaug 417 HB 34 THR QG2 3.50 # 1M 55730.0 e 1ceaug 3122 HB 35 GLU- HN 3.70 # 2 13020.0 e 1ceaug 2521 QG2 35 GLU- HN 6.50 # 5M 15120.0 e 1ceaug 3836 35 GLU- HN 35 GLU- HA 3.60 # 2 15790.0 e 1ceaug 420 HN 35 GLU- HB2 3.90 ># 2 10140.0 e 1ceaug 1102 HN 35 GLU- HB3 3.30 <# 2 27880.0 e 1ceaug 1103 HN 35 GLU- HG2 4.10 <# 1 9299.0 e ! 1ceaug 2144 HN 35 GLU- HG3 5.30 ># 1 1818.0 e 1ceaug 5350 HN 36 PHE HN 3.10 # 2 38440.0 e ! 1ceaug 3606 HN 36 PHE HB2 5.50 # 2 1253.0 e ! 1ceaug 4431 HN 36 PHE QD 9.00 # r w 5 2113.0*2e 1ceaug 4430 HA 35 GLU- HB2 3.00 # 2 49650.0 e 1ceaug 3131 HA 35 GLU- HB3 2.80 # 2 70760.0 e 1ceaug 3128 HA 35 GLU- HG2 4.60 # 1 4191.0 e 1ceaug 2147 HA 36 PHE HN 4.20 # 2 6528.0 e 1ceaug 4435 HA 37 PRO HD2 7.00 # w 5 1814.0 e 1ceaug 2159 HB2 35 GLU- HG2 3.40 # 1 25370.0 e 1ceaug 2149 HB2 36 PHE HN 5.00 ># 2 2265.0 e 1ceaug 1545 HB2 36 PHE QD 7.80 # r 5 6140.0*2e 1ceaug 2527 HB3 35 GLU- HG2 3.80 # 1 12980.0 e 1ceaug 2148 HB3 36 PHE HN 4.20 <# 2 6460.0 e 1ceaug 4438 HB3 36 PHE QD 7.30 # r 5 8675.0*2e 1ceaug 5144 36 PHE HN 36 PHE HA 3.60 # 2 15280.0 e 1ceaug 1106 HN 36 PHE HB2 3.60 # 2 15720.0 e 1ceaug 1104 HN 36 PHE HB3 4.10 # 2 7804.0 e 1ceaug 1105 HN 36 PHE QD 6.00 # r 1 10150.0*2e 1ceaug 3135 HN 36 PHE QE 7.30 # m 1 621.0*2e 1ceaug 3831 HN 37 PRO HA 4.50 # 2 4161.0 e 1ceaug 4439 HN 37 PRO HD2 4.60 <# 5 15090.0 e 1ceaug 3639 HN 37 PRO HD3 5.90 ># 5 5811.0 e 1ceaug 1241 HA 36 PHE HB2 3.80 # 2 11360.0 e 1ceaug 421 HA 36 PHE HB3 3.30 # 2 26960.0 e 1ceaug 423 HA 36 PHE QD 4.40 # m 1 26835.0*2e 1ceaug 1975 HA 37 PRO HD2 4.00 ># 5 26800.0 e 1ceaug 3638 HA 37 PRO HD3 3.20 <# 5 70840.0 e 1ceaug 3637 HA 38 SER HN 5.40 # 3 3801.0 e 1ceaug 1465 HA 39 LEU HN 7.00 # w 3 1050.0 e 1ceaug 2169 HB2 36 PHE QD 5.30 # r 1 35755.0*2e 1ceaug 1565 HB2 37 PRO HD2 4.60 # 5 15500.0 e 1ceaug 4445 HB2 37 PRO HD3 7.00 # w 5 2500.0 e 1ceaug 4443 HB2 39 LEU HN 6.80 ># 3 1522.0 e 1ceaug 4455 HB2 39 LEU QQD 9.40 # 5M 3910.5*2e 1ceaug 5259 HB3 36 PHE QD 5.20 # r 1 36110.0*2e 1ceaug 1564 HB3 37 PRO HD2 4.60 # 5 15220.0 e 1ceaug 4441 HB3 37 PRO HD3 5.30 # 5 8534.0 e 1ceaug 3835 HB3 39 LEU HN 5.10 <# 3 4976.0 e 1ceaug 1893 HB3 39 LEU HB2 6.90 # 5 2965.0 e 1ceaug 2172 HB3 39 LEU HB3 7.00 # w 5 2097.0 e 1ceaug 2174 HB3 39 LEU HG 6.10 # 5 5104.0 e 1ceaug 4452 HB3 39 LEU QQD 9.40 # 5M 5715.0*2e 1ceaug 1706 HB3 73 ILE HG12 5.60 # 5 6912.0 e 1ceaug 4458 QD 36 PHE QE 7.00 # rr 1 59150.0*4e 1ceaug 3137 QD 36 PHE HZ 5.40 # r 1 26045.0*2e 1ceaug 4466 QD 37 PRO HD3 9.00 # r w 5 2233.0*2e 1ceaug 4446 QD 39 LEU HG 9.00 # r w 5 1587.5*2e 1ceaug 1929 QD 39 LEU QQD 11.40 # r 5M 1308.5*4e 1ceaug 2178 QD 66 PHE HZ 7.90 # r 5 5615.0*2e 1ceaug 4467 QD 69 LEU QD2 10.00 # r 5M 2994.0*2e 1ceaug 1597 QD 73 ILE QG2 9.10 # r 5M 10730.0*2e 1ceaug 1596 QD 73 ILE HG12 8.10 # r 5 4939.5*2e 1ceaug 4459 QE 36 PHE HZ 5.70 # r 1 15610.0*2e 1ceaug 1109 QE 73 ILE QG2 9.80 # r 5M 7580.0*2e 1ceaug 4465 QE 73 ILE HG12 8.20 # r 5 4773.5*2e 1ceaug 4463 HZ 73 ILE QD1 8.00 # 5M 1328.0 e 1ceaug 1516 37 PRO HA 37 PRO HB2 3.50 # 2 20020.0 e 1ceaug 427 HA 37 PRO HB3 3.50 # 2 18120.0 e 1ceaug 429 HA 37 PRO QG 4.50 # i 1 11395.0*2e 1ceaug 1112 HA 37 PRO HD2 4.20 <# 1 7501.0 e 1ceaug 3149 HA 37 PRO HD3 5.30 ># 1 1929.0 e 1ceaug 4411 HA 38 SER HN 4.00 # 2 9091.0 e 1ceaug 431 HA 38 SER HA 4.70 # 2 3341.0 e 1ceaug 4486 HA 39 LEU HN 5.00 # 3 5345.0 e 1ceaug 4974 HA 40 LEU HN 4.60 # 3 7425.0 e 1ceaug 2057 HA 40 LEU HB2 7.00 ># w 3 275.0 e 1ceaug 5318 HA 40 LEU HB3 7.00 <# w 3 1208.0 e 1ceaug 4495 HA 40 LEU HG 4.10 # 5 24940.0 e 1ceaug 2182 HA 40 LEU QD1 8.00 # 5M 4355.0 e 1ceaug 2183 HB2 37 PRO QG 3.90 # m 1 65400.0*2e 1ceaug 3156 HB2 37 PRO HD2 4.80 # 1 3476.0 e 1ceaug 436 HB2 37 PRO HD3 5.70 # 1 1243.0 e 1ceaug 5312 HB2 38 SER HN 5.90 # 2 811.0 e 1ceaug 3715 HB3 37 PRO QG 4.30 # m 1 30460.0*2e 1ceaug 3151 HB3 37 PRO HD2 4.40 # 1 5677.0 e 1ceaug 440 HB3 37 PRO HD3 4.30 # 1 6473.0 e 1ceaug 3150 HB3 38 SER HN 5.10 # 2 1945.0 e 1ceaug 3716 QG 37 PRO HD2 4.20 # m 1 37015.0*2e 1ceaug 3152 QG 37 PRO HD3 4.30 # m 1 30085.0*2e 1ceaug 3153 QG 38 SER HN 6.40 # m 5 8315.0*2e 1ceaug 1903 QG 38 SER HB2 8.00 # m w 5 652.5*2e 1ceaug 4489 HD2 38 SER HN 6.70 # 5 3381.0 e 1ceaug 1246 HD3 38 SER HN 5.80 # 5 5970.0 e 1ceaug 1245 38 SER HN 38 SER HA 3.20 # 2 30480.0 e 1ceaug 450 HN 38 SER HB2 3.70 # 2 13560.0 e 1ceaug 1113 HN 38 SER HB3 3.40 # 2 23700.0 e 1ceaug 452 HN 39 LEU HN 3.40 # 2 22680.0 e 1ceaug 1247 HN 39 LEU HB2 7.00 # w 2 254.0 e 1ceaug 4497 HN 40 LEU HN 5.30 # 3 4017.0 e 1ceaug 4498 HA 38 SER HB2 3.70 # 2 13200.0 e 1ceaug 453 HA 38 SER HB3 3.30 # 2 29040.0 e 1ceaug 455 HA 39 LEU HN 3.90 # 2 10240.0 e 1ceaug 457 HA 40 LEU HN 4.70 # 3 6451.0 e 1ceaug 2058 HA 40 LEU HB2 7.00 ># w 3 219.0 e 1ceaug 5317 HA 40 LEU HB3 7.00 <# w 3 711.0 e 1ceaug 4500 HA 41 LYS+ HN 6.00 # 3 2431.0 e 1ceaug 2185 HA 41 LYS+ HB3 5.90 # 3 2696.0 e 1ceaug 4503 HA 41 LYS+ HG2 7.00 # w 5 1014.0 e 1ceaug 4504 HA 41 LYS+ HG3 7.00 # w 5 .0 e 1ceaug 5356 HA 41 LYS+ QD 8.00 # m w 5 883.5*2e 1ceaug 5353 HA 41 LYS+ QE 8.00 # m w 5 157.5*2e 1ceaug 5355 HB2 39 LEU HN 3.90 <# 2 10270.0 e 1ceaug 463 HB2 41 LYS+ HN 7.00 ># w 3 269.0 e 1ceaug 4507 HB2 41 LYS+ QD 8.00 ># m w 5 862.0*2e 1ceaug 5358 HB3 39 LEU HN 4.70 ># 2 3362.0 e 1ceaug 467 HB3 41 LYS+ HN 5.50 <# 3 3565.0 e 1ceaug 4506 HB3 41 LYS+ QD 8.00 <# m w 5 2202.5*2e 1ceaug 5359 39 LEU HN 39 LEU HA 3.10 # 2 39910.0 e 1ceaug 470 HN 39 LEU HB2 3.00 # 2 49220.0 e 1ceaug 473 HN 39 LEU HB3 3.20 # 2 31180.0 e 1ceaug 471 HN 39 LEU HG 4.10 # 1 9092.0 e 1ceaug 1115 HN 39 LEU QQD 7.60 # q 1M 4882.5*2e 1ceaug 3164 HN 40 LEU HN 3.10 # 2 41140.0 e 1ceaug 1248 HN 40 LEU HB2 6.40 # 2 506.0 e 1ceaug 4511 HN 40 LEU HG 5.60 # 5 6843.0 e 1ceaug 2530 HN 41 LYS+ HN 4.30 # 3 3759.0 e MPeaug 4515 HA 39 LEU HB2 3.20 # 2 35510.0 e 1ceaug 477 HA 39 LEU HB3 3.20 # 2 32270.0 e 1ceaug 475 HA 39 LEU HG 4.10 # 1 9406.0 e 1ceaug 3160 HA 39 LEU QQD 5.60 # s 1M 26160.0*2e 1ceaug 3163 HA 40 LEU HN 3.90 # 2 9306.0 e 1ceaug 479 HA 40 LEU HA 5.10 # 2 1914.0 e 1ceaug 4513 HA 41 LYS+ HN 4.60 # 3 7311.0 e 1ceaug 2186 HA 41 LYS+ HG2 7.00 # w 5 1031.0 e 1ceaug 5361 HA 41 LYS+ QD 8.00 # m w 5 645.0*2e 1ceaug 2187 HA 42 GLY HN 5.40 # 3 3844.0 e 1ceaug 5341 HB2 39 LEU HG 2.70 # 1 121700.0 e 1ceaug 3166 HB2 39 LEU QQD 5.40 # 1M 22895.0*2e 1ceaug 2167 HB2 40 LEU HN 3.60 # 2 16640.0 e 1ceaug 2064 HB2 69 LEU HG 6.80 # 5 3147.0 e 1ceaug 5363 HB2 69 LEU QD1 8.00 # 5M 5503.0 e 1ceaug 5364 HB2 69 LEU QD2 8.00 # 5M 4951.0 e 1ceaug 5365 HB2 73 ILE HG13 5.20 # 5 9398.0 e 1ceaug 4785 HB2 73 ILE QD1 8.00 # 5M 1088.0 e 1ceaug 5362 HB3 39 LEU QQD 5.20 # 1M 29455.0*2e 1ceaug 3162 HB3 40 LEU HN 3.50 # 2 19390.0 e 1ceaug 2063 HB3 69 LEU QD1 8.00 # 5M 841.0 e 1ceaug 5367 HB3 69 LEU QD2 8.00 # 5M 1155.0 e 1ceaug 5366 HG 39 LEU QQD 5.50 # 1M 20360.0*2e 1ceaug 2168 HG 40 LEU HN 7.00 # w 5 2454.0 e 1ceaug 5368 HG 73 ILE QG2 8.00 # 5M 466.0 e 1ceaug 5369 QQD 40 LEU HN 9.40 # 5M 892.0*2e 1ceaug 2062 QQD 72 LYS+ QB 10.40 # m 5M 1114.8*4e 1ceaug 4808 QQD 73 ILE HA 9.40 # 5M 374.5*2e 1ceaug 5370 QQD 73 ILE QG2 10.10 # m 5M 7715.0*2e 1ceaug 5371 40 LEU HN 40 LEU HA 3.20 # 2 30040.0 e 1ceaug 486 HN 40 LEU HB2 3.10 # 2 39820.0 e 1ceaug 1117 HN 40 LEU HB3 3.60 # 2 16890.0 e 1ceaug 1116 HN 40 LEU HG 3.30 # 1 30810.0 e 1ceaug 1118 HN 40 LEU QD1 5.40 # 1M 3850.0 e 1ceaug 3175 HN 40 LEU QD2 5.40 # 1M 3726.0 e 1ceaug 1120 HN 41 LYS+ HN 3.10 # 2 39060.0 e 1ceaug 488 HN 41 LYS+ HB2 5.40 # 2 1301.0 e 1ceaug 4517 HN 41 LYS+ HG2 7.00 ># w 5 737.0 e 1ceaug 4518 HN 41 LYS+ HG3 6.80 <# 5 3312.0 e 1ceaug 4522 HN 42 GLY HN 5.60 # 3 1866.0 e MPeaug 4532 HA 40 LEU HB2 3.40 # 2 24650.0 e 1ceaug 489 HA 40 LEU HB3 3.20 # 2 30200.0 e 1ceaug 491 HA 40 LEU HG 3.70 # 1 17520.0 e 1ceaug 3181 HA 40 LEU QD1 5.30 ># 1M 4060.0 e 1ceaug 3174 HA 40 LEU QD2 3.40 <# 1M 65000.0 e 1ceaug 1686 HA 41 LYS+ HN 3.90 # 2 9474.0 e 1ceaug 493 HA 41 LYS+ HG2 7.00 # w 5 1006.0 e 1ceaug 4527 HA 41 LYS+ HG3 7.00 # w 5 1451.0 e 1ceaug 4526 HA 42 GLY HN 4.80 # 3 6303.0 e 1ceaug 4533 HA 42 GLY HA1 7.00 # w 3 670.0 e 1ceaug 4535 HA 49 LEU QD1 8.00 # 5M 158.0 e 1ceaug 5376 HB2 40 LEU HG 3.10 # 1 44000.0 e 1ceaug 3179 HB2 40 LEU QD1 3.80 # 1M 30830.0 e 1ceaug 2024 HB2 40 LEU QD2 3.90 # 1M 28010.0 e 1ceaug 2025 HB2 41 LYS+ HN 3.80 # 2 11720.0 e 1ceaug 4529 HB3 40 LEU HG 3.20 # 1 41330.0 e 1ceaug 3180 HB3 40 LEU QD1 3.40 # 1M 66860.0 e 1ceaug 2023 HB3 40 LEU QD2 3.60 # 1M 40130.0 e 1ceaug 2022 HB3 41 LYS+ HN 7.00 # w 2 .0 e 1ceaug 4528 HB3 49 LEU QD1 8.00 # 5M 932.0 e ! 1ceaug 5380 HG 40 LEU QD1 3.80 # 1M 29870.0 e 1ceaug 2027 HG 40 LEU QD2 3.40 # 1M 64660.0 e 1ceaug 2026 HG 41 LYS+ HN 4.60 # 5 16290.0 e 1ceaug 4530 QD1 41 LYS+ HN 8.00 ># 5M 493.0 e 1ceaug 4521 QD2 41 LYS+ HN 6.20 <# 5M 19030.0 e 1ceaug 2050 QD2 45 THR HA 8.00 # 5M 107.0 e 1ceaug 5383 QD2 45 THR HB 8.00 # 5M 140.0 e 1ceaug 5382 QD2 46 LEU HN 8.00 # 5M 2687.0 e 1ceaug 5351 QD2 46 LEU HA 8.00 # 5M 441.0 e 1ceaug 5352 QD2 46 LEU QD2 7.10 # m 5M 20130.0 e 1ceaug 5381 41 LYS+ HN 41 LYS+ HA 3.10 # 2 42860.0 e 1ceaug 498 HN 41 LYS+ HB2 3.00 <# 2 46960.0 e 1ceaug 1123 HN 41 LYS+ HB3 3.70 ># 2 13110.0 e 1ceaug 1122 HN 41 LYS+ HG2 3.80 # 1 14010.0 e 1ceaug 1124 HN 41 LYS+ HG3 4.10 # 1 9438.0 e 1ceaug 1125 HN 41 LYS+ QD 5.70 # m 1 4068.0*2e 1ceaug 1126 HN 41 LYS+ QE 8.00 # m w 1 276.5*2e 1ceaug 3222 HN 42 GLY HN 3.40 # 2 24880.0 e 1ceaug 3688 HA 41 LYS+ HB2 3.70 # 2 12900.0 e 1ceaug 2032 HA 41 LYS+ HB3 3.30 # 2 26890.0 e 1ceaug 2033 HA 41 LYS+ HG2 4.20 # 1 7796.0 e 1ceaug 2029 HA 41 LYS+ HG3 4.00 # 1 10560.0 e 1ceaug 2030 HA 41 LYS+ QD 5.30 # m 1 6910.0*2e 1ceaug 2031 HA 41 LYS+ QE 8.00 # m w 1 124.0*2e 1ceaug 3192 HA 42 GLY HN 3.70 # 2 13560.0 e 1ceaug 499 HA 42 GLY HA1 5.20 # 2 1655.0 e 1ceaug 4543 HB2 41 LYS+ HG2 3.40 # 1 27880.0 e 1ceaug 3214 HB2 41 LYS+ HG3 3.10 # 1 48930.0 e 1ceaug 3201 HB2 41 LYS+ QD 3.90 <# m 1 74450.0*2e 1ceaug 3200 HB2 41 LYS+ QE 5.30 <# m 1 6365.0*2e 1ceaug 3219 HB2 42 GLY HN 4.50 ># 2 4240.0 e 1ceaug 1869 HB2 42 GLY HA2 6.20 # 2 611.0 e 1ceaug 4548 HB3 41 LYS+ HG2 3.20 # 1 38350.0 e 1ceaug 3197 HB3 41 LYS+ HG3 3.40 # 1 29130.0 e 1ceaug 3196 HB3 41 LYS+ QD 4.80 ># m 1 14410.0*2e 1ceaug 3195 HB3 41 LYS+ QE 8.00 ># m w 1 106.0*2e 1ceaug 3220 HB3 42 GLY HN 3.70 <# 2 13140.0 e 1ceaug 2053 HG2 41 LYS+ QD 4.30 # m 1 32920.0*2e 1ceaug 3215 HG2 41 LYS+ QE 6.40 # m 1 1583.0*2e 1ceaug 3221 HG3 41 LYS+ QD 4.70 # m 1 16715.0*2e 1ceaug 3210 HG3 41 LYS+ QE 6.10 # m 1 2249.0*2e 1ceaug 3719 QD 41 LYS+ QE 5.70 # mm 1 15340.0*4e 1ceaug 3718 QD 42 GLY HN 8.00 # m w 5 1044.0*2e 1ceaug 3720 42 GLY HN 42 GLY HA1 3.10 # 2 42700.0 e 1ceaug 504 HN 42 GLY HA2 3.10 # 2 44030.0 e 1ceaug 502 HN 43 MET HN 5.00 # 2 5503.0 e MPeaug 3642 HA1 43 MET HN 3.20 # 2 31980.0 e 1ceaug 509 HA2 43 MET HN 3.40 # 2 23720.0 e 1ceaug 507 HA2 44 SER HN 7.00 # w 3 1036.0 e 1ceaug 4846 43 MET HN 43 MET HA 4.20 # 2 6010.0 e 1ceaug 1365 HN 43 MET HB2 3.50 <# 2 17700.0 e 1ceaug 1369 HN 43 MET HB3 4.20 ># 2 6174.0 e 1ceaug 1368 HN 43 MET HG2 4.90 # 1 2858.0 e 1ceaug 3721 HN 43 MET HG3 5.00 # 1 2492.0 e 1ceaug 4552 HN 44 SER HN 5.0 # 2 fffff e MP HA 43 MET HB2 3.70 # 2 13150.0 e 1ceaug 2040 HA 43 MET HB3 3.50 # 2 20760.0 e 1ceaug 2039 HA 43 MET HG2 4.80 # 1 3367.0 e 1ceaug 2038 HA 43 MET HG3 5.10 # 1 2270.0 e 1ceaug 2037 HA 44 SER HN 3.60 # 2 16220.0 e 1ceaug 1374 HA 45 THR HN 5.60 # 3 3302.0 e 1ceaug 4847 HB2 43 MET HG2 3.60 # 1 18000.0 e 1ceaug 3227 HB2 43 MET HG3 3.70 # 1 17020.0 e 1ceaug 3226 HB2 44 SER HN 3.40 <# 2 21070.0 e 1ceaug 1373 HB3 43 MET HG2 3.70 # 1 15320.0 e 1ceaug 3225 HB3 43 MET HG3 3.90 # 1 11780.0 e 1ceaug 3224 HB3 44 SER HN 4.30 ># 2 5557.0 e 1ceaug 1372 HG3 44 SER HN 7.00 # w 5 620.0 e 1ceaug 2055 44 SER HN 44 SER HA 3.70 # 2 13100.0 e 1ceaug 514 HN 44 SER HB2 3.50 <# 2 19120.0 e 1ceaug 1253 HN 44 SER HB3 4.60 ># 2 3636.0 e 1ceaug 3229 HN 45 THR HN 4.00 # 2 8045.0 e 1ceaug 3643 HA 44 SER HB2 3.70 # 2 12740.0 e 1ceaug 515 HA 44 SER HB3 3.30 # 2 27640.0 e 1ceaug 517 HA 45 THR HN 3.00 # 2 46470.0 e 1ceaug 519 HB2 45 THR HN 4.60 # 2 3546.0 e 1ceaug 1375 HB2 48 GLU- HB2 6.40 # 5 4192.0 e 1ceaug 4559 HB2 48 GLU- HB3 6.20 # 5 4550.0 e 1ceaug 4557 HB2 49 LEU HA 5.40 # 5 8373.0 e 1ceaug 4569 HB2 49 LEU HB3 7.00 # w 5 600.0 e 1ceaug 5385 HB2 49 LEU QD1 8.00 # 5M 2539.0 e 1ceaug 4571 HB3 45 THR HN 4.60 # 2 3731.0 e 1ceaug 1376 HB3 48 GLU- HB2 6.10 # 5 4891.0 e 1ceaug 4560 HB3 48 GLU- HB3 6.50 # 5 3828.0 e 1ceaug 4563 HB3 49 LEU HN 7.00 # w 5 1874.0 e 1ceaug 4565 HB3 49 LEU HA 4.70 # 5 14820.0 e 1ceaug 4568 HB3 49 LEU QD1 8.00 # 5M 604.0 e 1ceaug 5384 45 THR HN 45 THR HA 3.30 # 2 27290.0 e 1ceaug 524 HN 45 THR HB 3.70 # 2 14260.0 e 1ceaug 1250 HN 45 THR QG2 3.60 # 1M 40310.0 e 1ceaug 1251 HN 46 LEU HN 4.60 # 2 3544.0 e MPeaug 3644 HN 47 ASP- HN 6.70 # 3 1592.0 e 1ceaug 4583 HN 48 GLU- HN 5.40 # 3 3946.0 e 1ceaug 4587 HN 48 GLU- HB2 4.80 # 3 5932.0 e 1ceaug 2067 HN 48 GLU- HB3 4.50 # 3 7688.0 e 1ceaug 2068 HN 48 GLU- HG2 7.00 # w 5 1714.0 e 1ceaug 2069 HN 48 GLU- HG3 7.00 # w 5 2095.0 e 1ceaug 2070 HN 49 LEU HN 5.20 # 3 4543.0 e 1ceaug 2072 HA 45 THR HB 3.30 # 2 28750.0 e 1ceaug 3232 HA 45 THR QG2 3.40 # 1M 59050.0 e 1ceaug 1693 HA 46 LEU HN 3.00 # 2 50440.0 e 1ceaug 525 HA 46 LEU HA 5.40 # 2 1348.0 e 1ceaug 4581 HA 47 ASP- HN 6.40 # 3 1941.0 e 1ceaug 1887 HA 48 GLU- HN 6.70 # 3 1600.0 e 1ceaug 4588 HB 45 THR QG2 3.30 # s 1M 79870.0 e 1ceaug 1694 HB 46 LEU HN 3.10 # 2 36550.0 e 1ceaug 1291 HB 47 ASP- HN 4.20 # 3 11090.0 e 1ceaug 1470 HB 47 ASP- HB2 7.00 # w 5 .0 e 1ceaug 4585 HB 48 GLU- HN 5.30 # 3 4167.0 e 1ceaug 4589 QG2 46 LEU HN 7.60 # 5M 8183.0 e 1ceaug 1292 QG2 47 ASP- HN 8.00 # 5M 1765.0 e 1ceaug 5245 QG2 48 GLU- HN 8.00 # 5M 801.0 e 1ceaug 4590 QG2 48 GLU- HG3 8.00 # 5M 1875.0 e 1ceaug 4597 46 LEU HN 46 LEU HA 3.30 # 2 25170.0 e 1ceaug 528 HN 46 LEU HB2 3.10 # 2 44060.0 e 1ceaug 1286 HN 46 LEU HB3 2.90 # 2 54430.0 e 1ceaug 1285 HN 46 LEU HG 4.80 # 1 3439.0 e 1ceaug 1287 HN 46 LEU QD1 5.50 # 1M 3247.0 e 1ceaug 1288 HN 46 LEU QD2 5.40 # 1M 3732.0 e 1ceaug 3723 HN 47 ASP- HN 3.30 # 2 26420.0 e 1ceaug 3645 HN 48 GLU- HN 6.40 # 3 1954.0 e 1ceaug 4602 HN 49 LEU HN 6.50 # 3 1806.0 e 1ceaug 4604 HN 49 LEU QD2 8.00 # 5M 337.0 e 1ceaug 4606 HA 46 LEU HB2 3.20 <# 2 35210.0 e 1ceaug 531 HA 46 LEU HB3 4.10 ># 2 7816.0 e 1ceaug 534 HA 46 LEU HG 4.20 # 1 7791.0 e 1ceaug 535 HA 46 LEU QD1 3.60 <# 1M 47300.0 e 1ceaug 3238 HA 46 LEU QD2 4.30 ># 1M 14010.0 e 1ceaug 3728 HA 47 ASP- HN 3.80 # 2 10730.0 e 1ceaug 537 HA 47 ASP- HA 5.60 # 2 1126.0 e 1ceaug 4598 HA 49 LEU HN 4.60 # 3 7198.0 e 1ceaug 2194 HA 49 LEU HB3 4.50 # 3 8043.0 e 1ceaug 4607 HB2 46 LEU HG 3.20 # 1 37990.0 e 1ceaug 541 HB2 46 LEU QD1 3.70 # 1M 34030.0 e 1ceaug 3241 HB2 46 LEU QD2 3.70 # 1M 35400.0 e 1ceaug 3730 HB2 47 ASP- HN 3.80 # 2 12430.0 e 1ceaug 543 HB2 47 ASP- HA 5.40 # 2 1380.0 e 1ceaug 4601 HB3 46 LEU HG 2.90 # 1 73590.0 e 1ceaug 546 HB3 46 LEU QD1 3.70 # 1M 36640.0 e 1ceaug 3235 HB3 46 LEU QD2 3.80 # 1M 32800.0 e 1ceaug 3726 HB3 47 ASP- HN 3.20 # 2 30140.0 e 1ceaug 547 HB3 47 ASP- HA 5.50 # 2 1252.0 e 1ceaug 4600 HG 46 LEU QD1 3.70 # 1M 38770.0 e 1ceaug 3242 HG 46 LEU QD2 3.90 # 1M 28310.0 e 1ceaug 3731 HG 47 ASP- HN 5.80 # 5 6320.0 e 1ceaug 3735 QD1 47 ASP- HN 6.50 # 5M 15810.0 e 1ceaug 1539 QD1 50 PHE HN 8.00 # 5M 1348.0 e 1ceaug 5218 QD2 47 ASP- HN 6.90 # 5M 12420.0 e 1ceaug 3736 47 ASP- HN 47 ASP- HA 3.50 # 2 18210.0 e 1ceaug 550 HN 47 ASP- HB2 3.00 # 2 44440.0 e 1ceaug 1151 HN 47 ASP- HB3 3.50 # 2 18120.0 e 1ceaug 1150 HN 48 GLU- HN 3.20 # 2 30950.0 e 1ceaug 1284 HN 49 LEU HN 4.30 # 3 9564.0 e ! 1ceaug 4609 HN 50 PHE HN 5.90 # 3 2682.0 e 1ceaug 4611 HN 51 GLU- HN 7.00 # w 3 1215.0 e 1ceaug 4620 HA 47 ASP- HB2 3.40 # 2 21680.0 e 1ceaug 551 HA 47 ASP- HB3 3.30 # 2 26520.0 e 1ceaug 553 HA 48 GLU- HN 4.30 # 2 5786.0 e 1ceaug 555 HA 49 LEU HN 7.00 # w 3 792.0 e 1ceaug 4610 HA 50 PHE HN 4.20 # 3 10430.0 e 1ceaug 2200 HA 50 PHE HB2 3.10 <# 3 34700.0 e 1ceaug 4615 HA 50 PHE HB3 4.40 ># 3 9124.0 e 1ceaug 1747 HA 51 GLU- HN 7.00 # w 3 968.0 e 1ceaug 2014 HA 51 GLU- HB2 5.10 <# 3 4713.0 e 1ceaug 4622 HA 51 GLU- HB3 7.00 ># w 3 1287.0 e 1ceaug 4623 HB2 48 GLU- HN 3.40 # 2 24220.0 e 1ceaug 1896 HB3 48 GLU- HN 3.60 # 2 14830.0 e 1ceaug 1895 HB3 50 PHE HN 6.90 # 3 1406.0 e 1ceaug 4617 HB3 50 PHE QD 9.00 # r w 5 2155.0*2e 1ceaug 4619 48 GLU- HN 48 GLU- HA 3.50 # 2 19840.0 e 1ceaug 560 HN 48 GLU- HB2 3.80 ># 2 11120.0 e 1ceaug 1282 HN 48 GLU- HB3 3.20 <# 2 35760.0 e 1ceaug 1281 HN 48 GLU- HG2 3.90 # 1 12740.0 e 1ceaug 1280 HN 48 GLU- HG3 3.30 # 1 30250.0 e 1ceaug 1279 HN 49 LEU HN 3.10 # 2 40320.0 e 1ceaug 1283 HN 50 PHE HN 6.00 # 3 2491.0 e 1ceaug 4626 HA 48 GLU- HB2 3.10 # 2 40000.0 e 1ceaug 3272 HA 48 GLU- HB3 2.90 # 2 56750.0 e 1ceaug 3269 HA 48 GLU- HG2 3.10 # 1 45990.0 e 1ceaug 3265 HA 48 GLU- HG3 3.30 # 1 36060.0 e 1ceaug 3261 HA 49 LEU HN 3.80 # 2 10870.0 e 1ceaug 561 HA 50 PHE HN 7.00 # w 3 .0 e 1ceaug 4627 HA 51 GLU- HN 5.50 # 3 3476.0 e 1ceaug 1748 HA 51 GLU- HB2 5.30 # 3 3993.0 e 1ceaug 4631 HA 51 GLU- HB3 5.60 # 3 3337.0 e 1ceaug 4630 HA 51 GLU- HG2 7.00 # w 5 .0 e 1ceaug 2549 HA 51 GLU- HG3 7.00 # w 5 1275.0 e 1ceaug 4629 HA 52 GLU- HN 6.30 # 3 2091.0 e 1ceaug 4634 HB2 48 GLU- HG2 3.40 # 1 25400.0 e 1ceaug 3268 HB2 48 GLU- HG3 3.10 # 1 51010.0 e 1ceaug 3264 HB2 49 LEU HN 3.30 # 2 28310.0 e 1ceaug 1513 HB3 48 GLU- HG2 3.10 # 1 43820.0 e 1ceaug 3267 HB3 48 GLU- HG3 3.30 # 1 30080.0 e 1ceaug 3263 HB3 49 LEU HN 3.40 # 2 23530.0 e 1ceaug 3819 HG2 49 LEU HN 7.00 # w 5 .0 e 1ceaug 3816 HG3 49 LEU HN 7.00 # w 5 471.0 e 1ceaug 3815 49 LEU HN 49 LEU HA 3.50 # 2 19170.0 e 1ceaug 1274 HN 49 LEU HB2 2.90 # 2 64640.0 e 1ceaug 1275 HN 49 LEU HB3 3.10 # 2 37850.0 e 1ceaug 3292 HN 49 LEU HG 4.50 # 1 4927.0 e 1ceaug 3296 HN 49 LEU QD1 4.80 # 1M 7162.0 e 1ceaug 1278 HN 49 LEU QD2 5.20 # 1M 5645.0 e 1ceaug 3297 HN 50 PHE HN 3.00 # 2 46600.0 e 1ceaug 3609 HN 51 GLU- HN 4.30 # 3 11120.0 e 1ceaug 4636 HN 52 GLU- HN 5.70 # 3 3153.0 e 1ceaug 4643 HN 52 GLU- QB 7.70 # m 3 1646.5*2e 1ceaug 4657 HA 49 LEU HB2 3.00 # 2 46960.0 e 1ceaug 3287 HA 49 LEU HB3 3.40 # 2 23540.0 e 1ceaug 3282 HA 49 LEU HG 4.40 # 1 5725.0 e 1ceaug 3295 HA 49 LEU QD1 3.90 # 1M 26310.0 e 1ceaug 3277 HA 49 LEU QD2 4.40 # 1M 13220.0 e 1ceaug 1858 HA 50 PHE HN 3.90 # 2 10140.0 e 1ceaug 1467 HA 51 GLU- HN 6.20 # 3 2150.0 e 1ceaug 4638 HA 52 GLU- HN 4.30 # 3 9973.0 e 1ceaug 1749 HA 52 GLU- QB 5.20 # m 3 10680.0*2e 1ceaug 1750 HA 53 LEU HN 6.00 # 3 2454.0 e 1ceaug 4647 HB2 49 LEU HG 3.20 <# 1 37180.0 e 1ceaug 3285 HB2 49 LEU QD1 3.60 # 1M 43910.0 e 1ceaug 3302 HB2 49 LEU QD2 3.70 # 1M 34400.0 e 1ceaug 3306 HB2 50 PHE HN 3.70 # 2 12580.0 e 1ceaug 1481 HB2 50 PHE HA 5.30 # 2 1584.0 e 1ceaug 4650 HB2 50 PHE HB2 5.30 # 5 9161.0 e 1ceaug 4652 HB3 49 LEU HG 3.90 ># 1 12700.0 e 1ceaug 3293 HB3 49 LEU QD1 3.80 # 1M 29440.0 e 1ceaug 3279 HB3 49 LEU QD2 3.70 # 1M 37390.0 e 1ceaug 3307 HB3 50 PHE HN 3.40 # 2 24480.0 e 1ceaug 1476 HB3 50 PHE HB2 7.00 # w 5 2453.0 e 1ceaug 4649 HG 49 LEU QD1 3.60 # 1M 45250.0 e 1ceaug 3304 HG 49 LEU QD2 3.70 # 1M 34690.0 e 1ceaug 3300 HG 50 PHE HN 5.70 # 5 6729.0 e 1ceaug 1482 HG 50 PHE HA 7.00 # w 5 1997.0 e 1ceaug 4655 QD1 50 PHE HN 8.00 ># 5M 2019.0 e 1ceaug 5280 QD1 50 PHE HA 8.00 ># 5M 3898.0 e 1ceaug 5285 QD1 69 LEU QD1 4.30 # m s 5M 305100.0 e 1ceaug 4662 QD1 69 LEU QD2 4.90 # m 5M 119300.0 e 1ceaug 4660 QD2 50 PHE HN 6.70 <# 5M 13690.0 e 1ceaug 5281 QD2 50 PHE HA 5.90 <# 5M 22250.0 e ! 1ceaug 5283 QD2 69 LEU QD1 4.80 # m 5M 141000.0 e 1ceaug 4664 QD2 69 LEU QD2 5.00 # m 5M 115500.0 e 1ceaug 4659 50 PHE HN 50 PHE HA 3.10 # 2 40620.0 e 1ceaug 568 HN 50 PHE HB2 2.70 # 2 89150.0 e 1ceaug 570 HN 50 PHE HB3 2.90 # 2 66300.0 e 1ceaug 572 HN 50 PHE QD 6.60 # r 1 4308.0*2e 1ceaug 1453 HN 51 GLU- HN 3.10 # 2 39450.0 e 1ceaug 3651 HN 52 GLU- HN 6.80 # 3 1524.0 e 1ceaug 4668 HA 50 PHE HB2 2.70 <# 2 83670.0 e 1ceaug 574 HA 50 PHE HB3 3.20 ># 2 30890.0 e 1ceaug 575 HA 50 PHE QD 4.50 # m 1 21970.0*2e 1ceaug 3310 HA 51 GLU- HN 3.90 # 2 9444.0 e 1ceaug 578 HA 52 GLU- HN 7.00 # w 3 .0 e 1ceaug 4669 HA 53 LEU HN 4.30 # 3 9665.0 e 1ceaug 4670 HA 53 LEU HB2 4.50 # 3 7917.0 e 1ceaug 4672 HA 53 LEU HB3 5.30 # 3 4052.0 e 1ceaug 4671 HA 53 LEU HG 6.10 # 5 4896.0 e 1ceaug 4674 HA 53 LEU QD1 5.90 <# 5M 23590.0 e 1ceaug 4677 HA 53 LEU QD2 7.90 ># 5M 6884.0 e 1ceaug 4676 HA 54 ASP- HN 5.50 # 3 3573.0 e 1ceaug 4680 HA 61 VAL QG2 6.70 # 5M 13506.0 e paraug 5209 HB2 50 PHE QD 5.20 # r 1 37180.0*2e 1ceaug 3312 HB2 50 PHE QE 7.20 # r 1 2174.5*2e 1ceaug 1655 HB2 51 GLU- HN 3.70 # 2 13720.0 e 1ceaug 1553 HB3 50 PHE QD 5.40 # r 1 27370.0*2e 1ceaug 3311 HB3 51 GLU- HN 3.40 # 2 21150.0 e 1ceaug 1554 QD 51 GLU- HN 5.80 # r 5 34635.0*2e 1ceaug 5006 QD 51 GLU- HA 9.00 # r w 5 1232.5*2e 1ceaug 1960 QD 53 LEU QD1 10.00 <# r 5M 1683.0*2e 1ceaug 4679 QD 53 LEU QD2 10.00 ># r 5M 234.5*2e 1ceaug 2570 QD 54 ASP- HB3 9.00 # r w 5 339.5*2e 1ceaug 1602 QD 59 GLY HN 9.00 # r w 5 390.0*2e paraug 1401 QD 61 VAL QG2 8.70 # r 5M 13347.0*2e paraug 5208 QE 59 GLY HN 8.50 # r 5 3981.0*2e paraug 5216 QE 61 VAL QG2 8.80 # r 5M 13209.0*2e paraug 5206 51 GLU- HN 51 GLU- HA 3.20 # 2 33890.0 e 1ceaug 584 HN 51 GLU- HB2 3.40 # 2 21390.0 e 1ceaug 3333 HN 51 GLU- HB3 3.20 # 2 35160.0 e 1ceaug 1147 HN 51 GLU- HG2 4.60 ># 1 4629.0 e 1ceaug 3326 HN 51 GLU- HG3 3.90 <# 1 12640.0 e 1ceaug 1145 HN 52 GLU- HN 3.00 # 2 53520.0 e 1ceaug 1273 HN 53 LEU HN 4.40 # 3 8916.0 e 1ceaug 4683 HN 54 ASP- HN 6.80 # 3 1558.0 e 1ceaug 4685 HA 51 GLU- HB2 3.20 # 2 34060.0 e 1ceaug 3321 HA 51 GLU- HB3 3.60 # 2 15890.0 e 1ceaug 3320 HA 51 GLU- HG2 5.30 # 1 1773.0 e 1ceaug 3319 HA 51 GLU- HG3 4.80 # 1 3367.0 e 1ceaug 3317 HA 52 GLU- HN 3.80 # 2 12020.0 e 1ceaug 587 HA 53 LEU HN 6.90 # 3 1441.0 e 1ceaug 4682 HA 54 ASP- HN 3.80 # 3 15860.0 e 1ceaug 1751 HB2 51 GLU- HG2 3.20 # 1 39730.0 e 1ceaug 3329 HB2 51 GLU- HG3 4.40 # 1 5778.0 e 1ceaug 3325 HB2 52 GLU- HN 3.90 # 2 10600.0 e 1ceaug 3826 HB3 51 GLU- HG2 3.00 # 1 54390.0 e 1ceaug 3332 HB3 51 GLU- HG3 4.20 # 1 7667.0 e 1ceaug 3331 HB3 52 GLU- HN 3.90 # 2 9187.0 e 1ceaug 3825 HG2 52 GLU- HN 7.00 <# w 5 630.0 e 1ceaug 3824 HG3 52 GLU- HN 7.00 ># w 5 221.0 e 1ceaug 3823 HG3 54 ASP- HN 7.00 # w 5 411.0 e 1ceaug 4999 52 GLU- HN 52 GLU- HA 3.20 # 2 34340.0 e 1ceaug 3827 HN 52 GLU- QB 3.70 # i 2 38480.0*2e 1ceaug 3344 HN 52 GLU- HG2 4.60 # 1 4457.0 e 1ceaug 3341 HN 52 GLU- HG3 5.20 # 1 2053.0 e 1ceaug 3348 HN 53 LEU HN 2.90 # 2 66140.0 e 1ceaug 591 HN 53 LEU HB2 5.70 # 2 988.0 e 1ceaug 4689 HN 53 LEU HG 7.00 # w 5 2633.0 e 1ceaug 4686 HN 54 ASP- HN 5.60 # 3 3243.0 e 1ceaug 4996 HA 52 GLU- QB 4.30 # m 2 27155.0*2e 1ceaug 3336 HA 52 GLU- HG2 3.60 # 1 18630.0 e 1ceaug 3338 HA 52 GLU- HG3 3.20 # 1 37720.0 e 1ceaug 3337 HA 53 LEU HN 4.00 # 2 9053.0 e 1ceaug 3829 HA 53 LEU HA 5.60 # 2 1124.0 e 1ceaug 4691 QB 52 GLU- HG2 3.40 <# m 1 214250.0*2e 1ceaug 3342 QB 52 GLU- HG3 4.10 ># m 1 48560.0*2e 1ceaug 3349 QB 53 LEU HN 4.20 # m 2 33135.0*2e 1ceaug 1548 QB 53 LEU HG 5.30 # m 5 20955.0*2e 1ceaug 4693 QB 53 LEU QD2 9.00 # m 5M 2913.5*2e 1ceaug 4695 QB 54 ASP- HN 8.00 # m w 3 .0*2e 1ceaug 4998 HG2 53 LEU HB2 7.00 # w 5 924.0 e 1ceaug 4697 53 LEU HN 53 LEU HA 3.20 # 2 32020.0 e 1ceaug 594 HN 53 LEU HB2 3.10 # 2 37010.0 e 1ceaug 598 HN 53 LEU HB3 3.50 # 2 20140.0 e 1ceaug 596 HN 53 LEU HG 2.90 # 1 67120.0 e 1ceaug 3350 HN 53 LEU QD1 3.80 # 1M 31980.0 e 1ceaug 3359 HN 53 LEU QD2 4.20 # 1M 17290.0 e 1ceaug 1866 HN 54 ASP- HN 3.00 # 2 45810.0 e 1ceaug 2590 HA 53 LEU HB2 3.70 ># 2 13250.0 e 1ceaug 601 HA 53 LEU HB3 3.00 <# 2 52590.0 e 1ceaug 600 HA 53 LEU HG 3.60 # 1 20050.0 e 1ceaug 1141 HA 53 LEU QD1 5.10 ># 1M 5079.0 e 1ceaug 1687 HA 53 LEU QD2 3.30 <# s 1M 67480.0 e 1ceaug 1139 HA 54 ASP- HN 3.90 # 2 9722.0 e 1ceaug 604 HA 54 ASP- HA 4.90 # 2 2589.0 e 1ceaug 4700 HB2 53 LEU HG 3.70 # 1 17240.0 e 1ceaug 611 HB2 53 LEU QD1 3.30 # s 1M 161500.0 e 1ceaug 3356 HB2 53 LEU QD2 3.90 # 1M 27440.0 e 1ceaug 3370 HB2 54 ASP- HN 3.30 # 2 25780.0 e 1ceaug 614 HB3 53 LEU HG 3.50 # 1 22790.0 e 1ceaug 607 HB3 53 LEU QD1 3.70 # 1M 34520.0 e 1ceaug 3362 HB3 53 LEU QD2 3.70 # 1M 39070.0 e 1ceaug 3371 HB3 54 ASP- HN 3.60 # 2 15090.0 e 1ceaug 609 HG 53 LEU QD1 3.30 # s 1M 123000.0 e 1ceaug 3360 HG 53 LEU QD2 3.30 # s 1M 81190.0 e 1ceaug 3364 HG 54 ASP- HN 6.30 # 5 4511.0 e 1ceaug 615 QD1 54 ASP- HN 6.50 <# 5M 15080.0 e 1ceaug 4706 QD1 66 PHE HA 6.80 # 5M 13120.0 e 1ceaug 5025 QD1 66 PHE HB2 8.00 # 5M 1660.0 e 1ceaug 5028 QD1 66 PHE QD 9.40 <# r 5M 9005.0*2e 1ceaug 4986 QD1 69 LEU QD2 6.60 # m 5M 27210.0 e 1ceaug 4984 QD2 54 ASP- HN 8.00 ># 5M 1351.0 e 1ceaug 4705 QD2 66 PHE HA 6.20 # 5M 19140.0 e 1ceaug 5024 QD2 66 PHE HB2 8.00 # 5M .0 e 1ceaug 5029 QD2 66 PHE QD 10.00 ># r 5M 2144.5*2e 1ceaug 4979 QD2 68 VAL HN 5.70 # 5M 26610.0 e 1ceaug 5022 QD2 68 VAL HB 4.90 # 5M 48290.0 e 1ceaug 5023 QD2 69 LEU QD2 9.00 # m 5M 3050.0 e 1ceaug 4985 54 ASP- HN 54 ASP- HA 3.60 # 2 17046.0 e paraug 1138 HN 54 ASP- HB2 2.90 # 2 56526.0 e paraug 1137 HN 54 ASP- HB3 3.30 # 2 25800.0 e 1ceaug 1136 HN 61 VAL QG1 6.80 # 5M 12810.0 e paraug 4902 HN 61 VAL QG2 6.70 # 5M 13428.0 e paraug 5195 HA 54 ASP- HB2 4.10 # 2 7656.0 e paraug 5194 HA 54 ASP- HB3 4.20 # 2 6360.0 e paraug 5193 HA 61 VAL QG1 8.00 ># 5M 4416.0 e paraug 5196 HA 61 VAL QG2 6.40 <# 5M 16704.0 e paraug 1682 HB2 61 VAL QG2 8.00 # 5M 2064.0 e paraug 5198 HB3 61 VAL QG2 4.90 # 5M 49650.0 e paraug 5199 55 LYS+ HB2 55 LYS+ QE 7.70 # m 1 452.0*2e 1ceaug 4036 HB3 55 LYS+ QE 8.00 # m w 1 .0*2e 1ceaug 3402 HG2 55 LYS+ QE 7.90 ># m 1 363.0*2e 1ceaug 4038 HG3 55 LYS+ QE 5.10 <# m 1 8565.0*2e 1ceaug 4037 QD 55 LYS+ QE 6.20 # mm 1 7747.5*4e 1ceaug 1881 56 ASN HN 56 ASN HA 3.00 # 2 49284.0 e paraug 628 HN 56 ASN HB2 3.60 <# 2 16302.0 e paraug 1132 HN 56 ASN HB3 4.20 ># 2 6516.0 e paraug 5228 HN 56 ASN HD21 4.30 # 1 6906.0 e paraug 3406 HN 57 GLY HN 4.60 # 2 3552.0 e paraug 1271 HA 56 ASN HB2 4.70 # 2 3237.0 e 1ceaug 2107 HA 56 ASN HD22 5.50 # 1 1524.0 e paraug 2108 HA 57 GLY HN 5.20 # 2 1644.0 e paraug 630 HB2 56 ASN HD21 3.20 # 1 42942.0 e paraug 1629 HB3 56 ASN HD21 3.10 # 1 46458.0 e paraug 3411 HB3 56 ASN HD22 6.70 # 1 432.0 e paraug 3412 HB3 57 GLY HN 4.50 # 2 4026.0 e paraug 2626 HD21 58 ASP- HB2 7.00 # w 5 2346.0 e paraug 1625 57 GLY HN 57 GLY QA 4.20 # 2 5889.0*2e paraug 1130 QA 59 GLY HN 8.00 # m w 3 558.0*2e paraug 1399 58 ASP- HN 58 ASP- HA 3.70 # 2 13206.0 e paraug 631 HN 58 ASP- HB2 4.10 <# 2 7842.0 e paraug 3418 HN 58 ASP- HB3 5.80 ># 2 870.0 e paraug 633 HN 59 GLY HN 3.20 # 2 32742.0 e paraug 636 HA 58 ASP- HB2 3.10 <# 2 37614.0 e paraug 638 HA 58 ASP- HB3 3.70 ># 2 13332.0 e paraug 640 HA 59 GLY HN 4.40 # 2 4752.0 e paraug 642 59 GLY HN 59 GLY HA1 5.50 ># 2 1170.0 e paraug 1128 HN 59 GLY HA2 3.10 <# 2 37218.0 e paraug 3421 HN 60 GLU- HN 5.80 # 2 912.0 e paraug 650 HA2 60 GLU- HN 5.20 # 2 1692.0 e paraug 5227 60 GLU- HN 60 GLU- HB3 5.20 # 2 1686.0 e paraug 656 HA 61 VAL HN 3.00 # 2 47310.0 e 1ceaug 2631 61 VAL HN 61 VAL HA 3.00 # 2 49338.0 e paraug 670 HN 61 VAL HB 2.90 # 2 58800.0 e paraug 3437 HN 61 VAL QG1 5.30 ># 1M 4266.0 e paraug 3441 HN 61 VAL QG2 4.30 <# 1M 15282.0 e paraug 3445 HN 62 SER HN 4.50 # 2 4278.0 e paraug 1266 HA 61 VAL HB 3.70 # 2 12966.0 e paraug 3438 HA 61 VAL QG1 3.70 # 1M 35334.0 e paraug 1692 HA 61 VAL QG2 3.70 # 1M 39342.0 e paraug 1680 HA 62 SER HN 4.90 # 2 2478.0 e paraug 672 HB 61 VAL QG1 3.40 # 1M 65280.0 e 1ceaug 3439 HB 61 VAL QG2 3.80 # 1M 33846.0 e paraug 1717 HB 62 SER HN 7.00 # w 2 .0 e 1ceaug 1418 QG1 62 SER HN 7.80 # 5M 7498.0 e 1ceaug 1415 QG1 65 GLU- HN 8.00 # 5M 2460.0 e paraug 4901 QG1 65 GLU- HB2 8.00 # 5M 6650.0 e 1ceaug 4897 QG1 65 GLU- HB3 6.30 # 5M 16970.0 e 1ceaug 4898 QG1 66 PHE HN 5.30 # 5M 36090.0 e 1ceaug 1495 QG1 66 PHE HA 5.60 # 5M 28506.0 e paraug 4892 QG1 66 PHE HB2 5.20 # 5M 37640.0 e 1ceaug 4894 QG1 66 PHE HB3 6.50 # 5M 15640.0 e 1ceaug 4893 QG1 66 PHE QD 8.70 # r 5M 13615.0*2e 1ceaug 4890 QG1 66 PHE QE 10.00 # r 5M 319.5*2e 1ceaug 4891 62 SER HN 62 SER HG 3.80 # 1 14460.0 e paraug 3446 HN 63 PHE HN 5.30 # 2 1584.0 e paraug 679 HN 65 GLU- HA 7.00 # w 3 292.0 e 1ceaug 1813 HA 62 SER HB2 4.10 <# 2 7727.0 e 1ceaug 681 HA 62 SER HB3 5.30 ># 2 1491.0 e 1ceaug 683 HA 63 PHE HN 3.50 # 2 20050.0 e 1ceaug 1265 HA 64 GLU- HN 7.00 # w 3 .0 e 1ceaug 1466 HB2 63 PHE HN 3.10 <# 2 42040.0 e 1ceaug 691 HB2 64 GLU- HN 4.10 # 3 11440.0 e 1ceaug 2637 HB3 63 PHE HN 3.60 ># 2 14850.0 e 1ceaug 696 HB3 63 PHE HB3 7.00 # w 5 880.0 e 1ceaug 697 HB3 64 GLU- HN 4.70 # 3 6513.0 e 1ceaug 700 HG 65 GLU- HN 4.70 # 5 14298.0 e paraug 5229 HG 65 GLU- HG3 5.20 # 5 9900.0 e paraug 1987 63 PHE HN 63 PHE HA 3.40 # 2 23030.0 e 1ceaug 701 HN 63 PHE HB2 3.00 # 2 54030.0 e 1ceaug 703 HN 63 PHE HB3 3.00 # 2 48220.0 e 1ceaug 705 HN 63 PHE QD 6.50 # r 1 4910.0*2e 1ceaug 3456 HN 64 GLU- HN 3.20 # 2 35050.0 e 1ceaug 707 HN 64 GLU- HA 6.40 # 2 484.0 e 1ceaug 4851 HN 65 GLU- HN 6.80 # 3 1503.0 e 1ceaug 1439 HA 63 PHE HB2 3.20 # 2 35850.0 e 1ceaug 710 HA 63 PHE HB3 3.10 # 2 37250.0 e 1ceaug 712 HA 63 PHE QD 4.30 # m 1 36045.0*2e 1ceaug 3457 HA 63 PHE QE 5.70 # i 1 2316.5*2e 1ceaug 3448 HA 64 GLU- HN 4.00 # 2 8468.0 e 1ceaug 5109 HA 65 GLU- HN 7.00 # w 3 478.0 e 1ceaug 4854 HA 66 PHE HN 3.70 # 3 18400.0 e 1ceaug 3793 HA 66 PHE HB2 3.40 # 3 26220.0 e 1ceaug 2640 HA 66 PHE HB3 3.20 # 3 32310.0 e 1ceaug 5087 HA 66 PHE QD 7.60 # r 5 7295.0*2e 1ceaug 5092 HA 67 GLN HN 7.00 # w 3 759.0 e 1ceaug 5074 HB2 63 PHE QD 5.70 ># r 1 16520.0*2e 1ceaug 3459 HB2 64 GLU- HN 4.00 ># 2 9018.0 e 1ceaug 4841 HB3 63 PHE QD 5.10 <# r 1 48060.0*2e 1ceaug 1261 HB3 64 GLU- HN 3.30 <# 2 25680.0 e 1ceaug 715 HB3 65 GLU- HN 6.70 # 3 1599.0 e 1ceaug 4852 QD 63 PHE QE 7.50 # rr 1 21305.0*4e 1ceaug 3454 QD 63 PHE HZ 5.80 # r 1 13050.0*2e 1ceaug 1159 QD 64 GLU- HN 8.50 # r 5 3765.5*2e 1ceaug 4840 QD 66 PHE HB2 9.00 ># r w 5 2182.0*2e 1ceaug 1945 QD 66 PHE HB3 6.70 <# r 5 14825.0*2e 1ceaug 5089 QD 66 PHE QD 9.40 # rr 5 8300.0*4e 1ceaug 1986 QD 66 PHE QE 10.60 # rr 5 3682.5*4e 1ceaug 4981 QD 67 GLN HG3 9.00 # r w 5 1181.0*2e 1ceaug 5075 QD 67 GLN HE21 8.10 # r 5 5000.0*2e 1ceaug 5288 QD 67 GLN HE22 8.80 # r 5 3151.5*2e 1ceaug 5289 QE 63 PHE HZ 4.70 # r 1 105800.0*2e 1ceaug 1160 QE 66 PHE QD 11.00 # rrw 5 2276.2*4e 1ceaug 5001 QE 66 PHE QE 11.00 # rrw 5 1641.2*4e 1ceaug 5003 QE 67 GLN HE21 7.70 # r 5 6500.0*2e 1ceaug 1983 QE 67 GLN HE22 8.00 # r 5 5300.0*2e 1ceaug 1978 HZ 67 GLN HE21 5.50 # 5 7748.0 e 1ceaug 1982 HZ 67 GLN HE22 6.20 # 5 4790.0 e 1ceaug 1980 HZ 70 VAL QG1 8.00 # 5M 3807.0 e 1ceaug 1919 64 GLU- HN 64 GLU- HA 3.10 # 2 40370.0 e 1ceaug 718 HN 64 GLU- HB2 4.60 # 2 3669.0 e 1ceaug 722 HN 64 GLU- HB3 4.30 # 2 5301.0 e 1ceaug 720 HN 64 GLU- HG2 3.10 # 1 46650.0 e 1ceaug 3797 HN 64 GLU- HG3 3.30 # 1 33620.0 e 1ceaug 1157 HN 65 GLU- HN 3.20 # 2 32900.0 e 1ceaug 2644 HN 66 PHE HN 5.50 # 3 3675.0 e 1ceaug 4855 HA 64 GLU- HB2 4.40 ># 2 4791.0 e 1ceaug 725 HA 64 GLU- HB3 3.70 <# 2 13120.0 e 1ceaug 723 HA 64 GLU- HG2 7.00 # w 1 .0 e 1ceaug 3799 HA 64 GLU- HG3 4.50 # 1 4896.0 e 1ceaug 3461 HA 65 GLU- HN 5.00 # 2 2300.0 e 1ceaug 727 HA 65 GLU- HA 6.20 # 2 572.0 e 1ceaug 4864 HA 66 PHE HN 7.00 # w 3 1179.0 e 1ceaug 4863 HA 67 GLN HN 4.30 # 3 10050.0 e 1ceaug 1752 HA 67 GLN HA 7.00 # w 3 469.0 e 1ceaug 5068 HA 67 GLN HB2 7.00 # 3 1329.0 e 1ceaug 5069 HA 67 GLN HG2 7.00 # w 5 2736.0 e 1ceaug 3809 HA 67 GLN HG3 6.00 # 5 5531.0 e 1ceaug 3808 HA 67 GLN HE21 6.40 # 5 4070.0 e 1ceaug 1638 HB2 64 GLU- HG2 3.50 # 1 24000.0 e 1ceaug 3801 HB2 64 GLU- HG3 3.20 # 1 37350.0 e 1ceaug 3465 HB3 64 GLU- HG2 5.40 # 1 1637.0 e 1ceaug 3805 HB3 64 GLU- HG3 4.40 # 1 5610.0 e 1ceaug 3466 HG2 65 GLU- HN 6.40 # 5 4261.0 e 1ceaug 3812 HG3 65 GLU- HN 6.80 # 5 3160.0 e 1ceaug 3813 65 GLU- HN 65 GLU- HA 3.70 # 2 13932.0 e paraug 736 HN 65 GLU- HB2 2.80 <# 2 81120.0 e paraug 1818 HN 65 GLU- HB3 3.50 ># 2 17838.0 e ! paraug 738 HN 65 GLU- HG2 3.70 <# 1 16800.0 e paraug 1819 HN 65 GLU- HG3 5.20 ># 1 2132.0 e 1ceaug 3467 HN 66 PHE HN 3.10 # 2 41560.0 e 1ceaug 1449 HN 66 PHE HB3 5.10 # 2 1998.0 e 1ceaug 5085 HN 67 GLN HN 6.90 # 3 1396.0 e 1ceaug 5066 HA 65 GLU- HB2 3.90 ># 2 10200.0 e paraug 744 HA 65 GLU- HB3 3.10 <# 2 37956.0 e paraug 742 HA 65 GLU- HG2 3.30 <# 1 31482.0 e paraug 3471 HA 65 GLU- HG3 5.60 ># 1 1272.0 e paraug 3472 HA 66 PHE HN 4.10 # 2 6862.0 e 1ceaug 745 HA 67 GLN HN 5.20 # 3 4478.0 e 1ceaug 4862 HA 68 VAL HN 7.00 # w 3 1070.0 e 1ceaug 1753 HA 68 VAL HB 7.00 # w 3 .0 e 1ceaug 3814 HB2 65 GLU- HG2 3.10 # 1 45580.0 e 1ceaug 3478 HB2 65 GLU- HG3 3.10 # 1 44960.0 e 1ceaug 3474 HB2 66 PHE HN 3.70 # 2 12730.0 e 1ceaug 5080 HB2 66 PHE HB2 6.20 # 5 4750.0 e 1ceaug 761 HB3 65 GLU- HG2 3.30 # 1 33960.0 e paraug 3483 HB3 65 GLU- HG3 3.70 # 1 15456.0 e paraug 3475 HB3 66 PHE HN 3.90 # 2 9436.0 e 1ceaug 5079 HG3 66 PHE HN 6.30 # 5 4453.0 e 1ceaug 1821 66 PHE HN 66 PHE HA 3.20 # 2 31950.0 e 1ceaug 768 HN 66 PHE HB2 2.80 # 2 73000.0 e 1ceaug 770 HN 66 PHE HB3 2.80 # 2 82440.0 e 1ceaug 772 HN 66 PHE QD 6.30 # r 1 6905.0*2e 1ceaug 3484 HN 67 GLN HN 3.20 # 2 30210.0 e 1ceaug 773 HN 67 GLN HG3 7.00 # w 5 1646.0 e 1ceaug 5063 HA 66 PHE HB2 3.00 # 2 45720.0 e 1ceaug 780 HA 66 PHE HB3 3.20 # 2 32140.0 e 1ceaug 782 HA 66 PHE QD 4.50 # m 1 22430.0*2e 1ceaug 1570 HA 66 PHE QE 5.60 # i 1 2488.0*2e 1ceaug 3487 HA 67 GLN HN 3.80 # 2 12180.0 e 1ceaug 1259 HA 68 VAL HN 5.40 # 3 3871.0 e 1ceaug 4837 HA 69 LEU HN 5.90 # 3 2752.0 e 1ceaug 1755 HA 69 LEU HB2 5.40 <# 3 3759.0 e 1ceaug 3792 HA 69 LEU HB3 7.00 ># w 3 1025.0 e 1ceaug 784 HA 69 LEU QD1 8.00 # 5M 1625.0 e 1ceaug 5035 HA 69 LEU QD2 8.00 # 5M 2069.0 e 1ceaug 5034 HB2 66 PHE QD 5.20 # r 1 36660.0*2e 1ceaug 3488 HB2 67 GLN HN 4.30 ># 2 5298.0 e 1ceaug 1557 HB3 66 PHE QD 5.10 # r 1 51350.0*2e 1ceaug 1568 HB3 66 PHE QE 7.30 # r 1 1822.0*2e 1ceaug 3490 HB3 67 GLN HN 3.60 <# 2 15120.0 e 1ceaug 1558 HB3 67 GLN HA 4.50 # 2 3908.0 e 1ceaug 5060 HB3 67 GLN HG3 4.40 # 5 18300.0 e 1ceaug 5065 QD 66 PHE QE 7.20 # rr 1 43450.0*4e 1ceaug 3492 QD 66 PHE HZ 7.30 # r 1 1842.0*2e 1ceaug 1161 QD 67 GLN HN 8.80 # r 5 3224.5*2e 1ceaug 4859 QD 67 GLN HA 8.40 # r 5 4263.5*2e 1ceaug 5061 QD 67 GLN HE21 7.50 # r 5 7695.0*2e 1ceaug 1984 QD 69 LEU HB2 8.80 # r 5 3320.5*2e 1ceaug 1935 QD 69 LEU QD1 10.00 ># r 5M 963.5*2e 1ceaug 1573 QD 69 LEU QD2 10.00 <# r 5M 4798.0*2e 1ceaug 4932 QD 70 VAL QG1 8.00 <# r 5M 20815.0*2e 1ceaug 4026 QD 70 VAL QG2 10.00 ># r 5M 375.0*2e 1ceaug 4030 QE 66 PHE HZ 5.70 # r 1 16605.0*2e 1ceaug 3493 QE 69 LEU QD1 10.00 ># r 5M 3160.5*2e 1ceaug 4935 QE 69 LEU QD2 8.30 <# r 5M 17645.0*2e 1ceaug 4930 QE 70 VAL QG1 9.80 <# r 5M 7560.0*2e 1ceaug 4027 QE 70 VAL QG2 10.00 ># r 5M 701.5*2e 1ceaug 4031 67 GLN HN 67 GLN HA 3.20 # 2 31240.0 e 1ceaug 788 HN 67 GLN HB2 3.10 # 2 37740.0 e 1ceaug 1164 HN 67 GLN HB3 3.60 # 2 17260.0 e 1ceaug 790 HN 67 GLN HG2 3.00 # 1 54760.0 e 1ceaug 794 HN 67 GLN HG3 3.40 # 1 26580.0 e 1ceaug 792 HN 67 GLN HE21 4.90 <# 1 2862.0 e 1ceaug 2010 HN 67 GLN HE22 5.90 ># 1 1008.0 e 1ceaug 3495 HN 68 VAL HN 3.40 # 2 23180.0 e 1ceaug 795 HN 68 VAL HB 6.50 # 2 436.0 e 1ceaug 4826 HN 68 VAL QG2 8.00 # 5M 1726.0 e 1ceaug 4834 HN 69 LEU HN 5.70 # 3 3131.0 e 1ceaug 4827 HN 70 VAL QG1 8.00 # 5M .0 e 1ceaug 1917 HA 67 GLN HB2 3.30 # 2 29040.0 e 1ceaug 799 HA 67 GLN HB3 3.10 # 2 44060.0 e 1ceaug 798 HA 67 GLN HG2 4.10 # 1 9355.0 e 1ceaug 3506 HA 67 GLN HG3 4.60 # 1 4607.0 e 1ceaug 801 HA 67 GLN HE21 5.90 # 1 945.0 e 1ceaug 1637 HA 67 GLN HE22 6.10 # 1 767.0 e 1ceaug 1641 HA 68 VAL HN 4.10 # 2 6957.0 e 1ceaug 3786 HA 69 LEU HN 5.50 # 3 3600.0 e 1ceaug 4830 HA 70 VAL HN 3.90 # 3 14020.0 e 1ceaug 1769 HA 70 VAL HB 2.90 # 3 44870.0 e 1ceaug 3787 HA 70 VAL QG1 5.80 <# 5M 23920.0 e 1ceaug 1700 HA 70 VAL QG2 8.00 ># 5M 4584.0 e 1ceaug 3789 HB2 67 GLN HG2 3.40 # 1 26650.0 e 1ceaug 813 HB2 67 GLN HE21 6.60 # 1 477.0 e 1ceaug 3505 HB2 68 VAL HN 4.70 # 2 3387.0 e 1ceaug 815 HB2 68 VAL QG2 6.20 # 5M 18350.0 e 1ceaug 4836 HB2 70 VAL HB 5.20 ># 5 9589.0 e 1ceaug 4819 HB3 67 GLN HE21 7.00 # w 1 .0 e 1ceaug 1991 HB3 68 VAL HN 4.60 # 2 3714.0 e 1ceaug 809 HB3 68 VAL QG2 8.00 # 5M 5801.0 e 1ceaug 4835 HB3 70 VAL HB 3.80 <# 5 33270.0 e 1ceaug 5322 HG2 67 GLN HE21 3.40 # 1 28380.0 e 1ceaug 1632 HG2 67 GLN HE22 4.50 # 1 4903.0 e 1ceaug 5077 HG3 67 GLN HE21 3.90 # 1 11180.0 e 1ceaug 1634 HG3 67 GLN HE22 6.10 # 1 756.0 e 1ceaug 5244 HE21 70 VAL QG1 8.00 # 5M 500.0 e 1ceaug 1999 HE22 70 VAL QG1 8.00 # 5M 1567.0 e 1ceaug 5236 68 VAL HN 68 VAL HA 3.50 # 2 20770.0 e 1ceaug 822 HN 68 VAL HB 3.00 # 2 45760.0 e 1ceaug 1165 HN 68 VAL QG1 4.40 # 1M 12220.0 e 1ceaug 1167 HN 68 VAL QG2 4.00 # 1M 23310.0 e 1ceaug 3514 HN 69 LEU HN 2.90 # 2 58480.0 e 1ceaug 823 HN 69 LEU HA 5.70 # 2 978.0 e 1ceaug 4821 HA 68 VAL HB 3.40 # 2 24920.0 e 1ceaug 3782 HA 68 VAL QG1 3.70 # 1M 36500.0 e 1ceaug 3511 HA 68 VAL QG2 3.40 # 1M 64320.0 e 1ceaug 1703 HA 69 LEU HN 4.30 # 2 5219.0 e 1ceaug 3785 HA 70 VAL HN 5.30 # 3 4226.0 e 1ceaug 4816 HA 71 LYS+ HN 4.50 # 3 7717.0 e 1ceaug 825 HB 68 VAL QG1 3.30 # s 1M 73090.0 e 1ceaug 3518 HB 68 VAL QG2 3.50 # 1M 52630.0 e 1ceaug 3515 HB 69 LEU HN 4.00 # 2 8323.0 e 1ceaug 3784 QG1 69 LEU HN 7.80 # 5M 7251.0 e 1ceaug 3783 QG1 69 LEU HA 8.00 # 5M 5804.0 e 1ceaug 4825 69 LEU HN 69 LEU HA 3.40 # 2 23760.0 e 1ceaug 828 HN 69 LEU HB2 3.20 # 2 30020.0 e 1ceaug 831 HN 69 LEU HB3 3.30 # 2 27060.0 e 1ceaug 830 HN 69 LEU HG 4.60 # 1 4413.0 e 1ceaug 1168 HN 69 LEU QD1 5.70 <# 1M 2594.0 e 1ceaug 3530 HN 69 LEU QD2 8.00 ># 1M 221.0 e 1ceaug 1761 HN 70 VAL HN 3.00 # 2 48010.0 e 1ceaug 833 HN 73 ILE QD1 6.50 # 5M 15650.0 e 1ceaug 4771 HA 69 LEU HB2 3.30 # 2 26880.0 e 1ceaug 838 HA 69 LEU HB3 3.10 # 2 43060.0 e 1ceaug 836 HA 69 LEU HG 3.40 # 1 27060.0 e 1ceaug 3520 HA 69 LEU QD1 3.40 <# 1M 57420.0 e 1ceaug 1690 HA 69 LEU QD2 4.60 ># 1M 10380.0 e 1ceaug 1170 HA 70 VAL HN 4.00 # 2 8042.0 e 1ceaug 1257 HA 70 VAL HA 5.60 # 2 1079.0 e 1ceaug 3777 HA 72 LYS+ HN 4.80 # 3 6234.0 e 1ceaug 1562 HA 72 LYS+ QB 5.60 # m 3 7595.0*2e 1ceaug 4797 HA 72 LYS+ HG2 6.30 <# 5 4329.0 e 1ceaug 4802 HA 72 LYS+ HG3 7.00 ># w 5 780.0 e 1ceaug 4800 HA 72 LYS+ QE 8.00 # m w 5 742.5*2e 1ceaug 4806 HA 73 ILE QD1 7.20 # 5M 10230.0 e 1ceaug 4772 HB2 69 LEU QD1 3.90 # 1M 25760.0 e 1ceaug 3531 HB2 69 LEU QD2 3.30 # s 1M 72970.0 e 1ceaug 3521 HB2 70 VAL HN 3.50 <# 2 19610.0 e 1ceaug 844 HB2 72 LYS+ HG2 6.80 # 5 3285.0 e 1ceaug 4804 HB2 73 ILE QD1 6.10 # 5M 20080.0 e 1ceaug 4775 HB3 69 LEU HG 2.90 # 1 77070.0 e 1ceaug 3767 HB3 69 LEU QD1 4.00 # 1M 22220.0 e 1ceaug 3533 HB3 69 LEU QD2 3.90 # 1M 24790.0 e 1ceaug 3525 HB3 70 VAL HN 4.20 ># 2 6670.0 e 1ceaug 841 HB3 70 VAL HA 6.00 # 2 712.0 e 1ceaug 3776 HB3 72 LYS+ QB 6.70 # m 5 6775.0*2e 1ceaug 4799 HB3 73 ILE QD1 5.90 # 5M 22710.0 e 1ceaug 4774 HG 69 LEU QD1 3.40 # 1M 57280.0 e 1ceaug 3524 HG 69 LEU QD2 3.50 # 1M 47480.0 e 1ceaug 3523 HG 70 VAL HN 5.00 # 5 10950.0 e 1ceaug 4813 QD1 70 VAL HN 8.00 # 5M 3786.0 e 1ceaug 3772 QD1 70 VAL HA 8.00 ># 5M 1166.0 e 1ceaug 3778 QD1 72 LYS+ QB 9.00 # m 5M 5195.0*2e 1ceaug 4795 QD1 73 ILE QD1 6.80 ># m 5M 24420.0 e 1ceaug 4776 QD2 70 VAL HN 8.00 # 5M 2201.0 e 1ceaug 3773 QD2 70 VAL HA 8.00 <# 5M 3828.0 e 1ceaug 3775 QD2 73 ILE QD1 5.50 <# m 5M 71300.0 e 1ceaug 4777 70 VAL HN 70 VAL HA 3.30 # 2 26310.0 e 1ceaug 846 HN 70 VAL HB 2.90 # 2 59190.0 e 1ceaug 3536 HN 70 VAL QG1 4.20 # 1M 28790.0 e 1ceaug 3540 HN 70 VAL QG2 4.30 # 1M 13940.0 e 1ceaug 1173 HN 71 LYS+ HN 3.30 # 2 27880.0 e 1ceaug 847 HN 72 LYS+ HN 4.90 # 3 5514.0 e 1ceaug 4793 HN 73 ILE QD1 8.00 # 5M 4825.0 e 1ceaug 4770 HA 70 VAL HB 3.60 # 2 15890.0 e 1ceaug 2110 HA 70 VAL QG1 3.50 # 1M 53230.0 e 1ceaug 1701 HA 70 VAL QG2 3.60 # 1M 40700.0 e 1ceaug 1708 HA 71 LYS+ HN 3.90 # 2 10110.0 e 1ceaug 1256 HA 72 LYS+ HN 4.50 # 3 8177.0 e 1ceaug 4791 HA 73 ILE HN 4.80 # 3 6018.0 e 1ceaug 4758 HA 73 ILE HB 4.80 # 3 6107.0 e 1ceaug 5255 HA 73 ILE QG2 8.00 # 5M 2373.0 e 1ceaug 4764 HA 73 ILE HG13 4.20 # 5 22720.0 e 1ceaug 4762 HA 73 ILE QD1 6.40 # 5M 16480.0 e 1ceaug 1677 HB 70 VAL QG1 3.40 # 1M 60510.0 e 1ceaug 3539 HB 70 VAL QG2 3.30 # s 1M 76620.0 e 1ceaug 3538 HB 71 LYS+ HN 4.00 # 2 8380.0 e 1ceaug 1933 HB 71 LYS+ HA 5.80 # 2 906.0 e 1ceaug 3764 QG1 71 LYS+ HN 7.00 # 5M 11790.0 e 1ceaug 4810 QG1 71 LYS+ HA 8.00 ># 5M 1180.0 e 1ceaug 3766 QG2 71 LYS+ HN 6.70 # 5M 13300.0 e 1ceaug 3760 QG2 71 LYS+ HA 8.00 <# 5M 5635.0 e 1ceaug 3765 QG2 73 ILE QD1 9.00 # m 5M 4261.0 e 1ceaug 4769 71 LYS+ HN 71 LYS+ HA 3.10 # 2 41320.0 e 1ceaug 850 HN 71 LYS+ HB2 3.00 # 2 53360.0 e 1ceaug 3547 HN 71 LYS+ HB3 3.00 # 2 45290.0 e 1ceaug 3550 HN 71 LYS+ HG2 4.50 # 1 4777.0 e 1ceaug 1180 HN 71 LYS+ HG3 4.40 # 1 5674.0 e 1ceaug 1179 HN 71 LYS+ QD 7.20 # m 1 740.5*2e 1ceaug 1178 HN 71 LYS+ QE 8.00 # m w 1 131.0*2e 1ceaug 3759 HN 72 LYS+ HN 3.20 # 2 31130.0 e 1ceaug 2669 HN 73 ILE HN 4.20 # 3 10400.0 e 1ceaug 4757 HA 71 LYS+ HB2 3.30 # 2 26580.0 e 1ceaug 3544 HA 71 LYS+ HB3 3.50 # 2 19360.0 e 1ceaug 2219 HA 71 LYS+ HG2 4.60 # 1 4380.0 e 1ceaug 3756 HA 71 LYS+ HG3 5.10 # 1 2347.0 e 1ceaug 3755 HA 72 LYS+ HN 3.90 # 2 9429.0 e 1ceaug 4786 HA 74 SER HN 4.30 # 3 9210.0 e 1ceaug 4742 HA 74 SER QB 4.70 # m 3 17415.0*2e 1ceaug 4746 HA 75 GLN HE21 5.70 # 5 6524.0 e 1ceaug 4727 HB2 71 LYS+ HG2 3.10 # 1 47460.0 e 1ceaug 3557 HB2 71 LYS+ HG3 2.70 # 1 118000.0 e 1ceaug 2224 HB2 71 LYS+ QD 3.70 # m 1 112000.0*2e 1ceaug 2225 HB2 72 LYS+ HN 3.60 # 2 17110.0 e 1ceaug 5324 HB2 75 GLN HE21 6.80 # 5 3245.0 e 1ceaug 4729 HB3 71 LYS+ HG2 3.30 # 1 32540.0 e 1ceaug 2222 HB3 71 LYS+ HG3 3.00 # 1 59020.0 e 1ceaug 3555 HB3 71 LYS+ QD 4.00 # m 1 63950.0*2e 1ceaug 2228 HB3 72 LYS+ HN 3.50 # 2 18100.0 e 1ceaug 5325 HB3 75 GLN HE21 7.00 # w 5 2211.0 e 1ceaug 4730 HG2 71 LYS+ QD 4.30 # m 1 33025.0*2e 1ceaug 2223 HG2 71 LYS+ QE 5.70 # m 1 3764.5*2e 1ceaug 2116 HG3 71 LYS+ QD 3.90 # m 1 75000.0*2e 1ceaug 2229 HG3 71 LYS+ QE 5.90 # m 1 3053.5*2e 1ceaug 2117 QD 71 LYS+ QE 5.70 # mm 1 17410.0*4e 1ceaug 3546 QE 72 LYS+ HG3 7.90 # m 5 3015.5*2e 1ceaug 4788 72 LYS+ HN 72 LYS+ HA 3.20 # 2 30520.0 e 1ceaug 1181 HN 72 LYS+ QB 3.80 # i 2 33920.0*2e 1ceaug 1182 HN 72 LYS+ HG2 3.80 # 1 13120.0 e 1ceaug 1183 HN 72 LYS+ HG3 4.40 # 1 5619.0 e 1ceaug 3566 HN 72 LYS+ HD2 4.60 # 1 4344.0 e 1ceaug 3739 HN 72 LYS+ HD3 4.20 # 1 7730.0 e 1ceaug 3565 HN 73 ILE HN 3.00 # 2 45820.0 e 1ceaug 853 HN 74 SER HN 5.10 # 3 4906.0 e 1ceaug 4738 HN 75 GLN HN 6.60 # 3 1735.0 e 1ceaug 4572 HA 72 LYS+ QB 4.30 # m 2 28510.0*2e 1ceaug 3563 HA 72 LYS+ HG2 3.50 <# 1 22020.0 e 1ceaug 3572 HA 72 LYS+ HG3 4.90 ># 1 3163.0 e 1ceaug 4748 HA 72 LYS+ HD2 4.20 # 1 7325.0 e 1ceaug 4749 HA 72 LYS+ HD3 4.40 # 1 6082.0 e 1ceaug 3747 HA 72 LYS+ QE 8.00 # m w 1 318.5*2e 1ceaug 3742 HA 73 ILE HN 4.20 # 2 6267.0 e 1ceaug 2671 HA 73 ILE HA 4.90 # 2 2594.0 e 1ceaug 4751 HA 74 SER HN 5.20 # 3 4638.0 e 1ceaug 4740 HA 75 GLN HN 6.80 # 3 1524.0 e 1ceaug 4575 HA 75 GLN HB2 4.00 # 3 13500.0 e 1ceaug 4580 HA 75 GLN HB3 3.90 # 3 13680.0 e 1ceaug 4579 QB 72 LYS+ HG2 4.70 # m 1 17265.0*2e 1ceaug 2213 QB 72 LYS+ HG3 4.20 # m 1 36385.0*2e 1ceaug 2214 QB 72 LYS+ HD3 4.90 # m 1 12220.0*2e 1ceaug 2207 QB 73 ILE HN 5.00 # m 2 8890.0*2e 1ceaug 3754 QB 73 ILE HA 5.50 # m 2 4022.5*2e 1ceaug 4753 QB 75 GLN HN 6.10 # m 3 4662.5*2e 1ceaug 4574 HG2 72 LYS+ HD3 3.00 # 1 54950.0 e 1ceaug 3571 HG2 72 LYS+ QE 6.30 # m 1 1949.5*2e 1ceaug 3751 HG3 72 LYS+ HD3 3.10 # 1 45890.0 e 1ceaug 3570 HG3 72 LYS+ HE2 4.40 # 1 5500.0 e 1ceaug 2211 HG3 72 LYS+ QE 6.30 # m 1 1764.5*2e 1ceaug 3753 HD2 72 LYS+ QE 5.60 # m 1 4291.0*2e 1ceaug 3752 HD3 72 LYS+ HE3 5.60 # 1 1349.0 e 1ceaug 2208 HD3 72 LYS+ QE 5.60 # m 1 4617.0*2e 1ceaug 3750 73 ILE HN 73 ILE HA 3.10 # 2 37210.0 e 1ceaug 856 HN 73 ILE HB 3.20 # 2 34790.0 e 1ceaug 1192 HN 73 ILE QG2 4.30 # 1M 15380.0 e 1ceaug 1190 HN 73 ILE HG12 4.10 ># 1 9244.0 e 1ceaug 1191 HN 73 ILE HG13 2.80 <# 1 86320.0 e 1ceaug 3576 HN 73 ILE QD1 5.50 # 1M 3204.0 e 1ceaug 1189 HN 74 SER HN 3.50 # 2 18950.0 e 1ceaug 2008 HN 74 SER QB 6.20 # m 2 1678.0*2e 1ceaug 4735 HN 75 GLN HN 4.60 # 3 7242.0 e 1ceaug 4714 HA 73 ILE HB 3.10 # 2 38790.0 e 1ceaug 3573 HA 73 ILE QG2 4.00 # 1M 23400.0 e 1ceaug 1689 HA 73 ILE HG12 4.60 <# 1 4104.0 e 1ceaug 2232 HA 73 ILE HG13 5.60 ># 1 1334.0 e 1ceaug 2231 HA 73 ILE QD1 8.00 # 1M 209.0 e 1ceaug 1679 HA 74 SER HN 3.70 # 2 13860.0 e 1ceaug 857 HA 75 GLN HN 7.00 # w 3 785.0 e 1ceaug 4716 HB 73 ILE QG2 3.30 # s 1M 70820.0 e 1ceaug 3579 HB 73 ILE HG12 4.20 # 1 7199.0 e 1ceaug 2240 HB 73 ILE HG13 3.70 # 1 15360.0 e 1ceaug 2241 HB 73 ILE QD1 3.70 # 1M 37780.0 e 1ceaug 1676 HB 74 SER HN 4.10 # 2 7480.0 e 1ceaug 4737 HB 75 GLN HN 6.20 # 3 2172.0 e 1ceaug 4718 QG2 73 ILE HG12 3.30 <# s 1M 80810.0 e 1ceaug 2242 QG2 73 ILE HG13 3.90 ># 1M 27820.0 e 1ceaug 2243 QG2 73 ILE QD1 4.70 # m 1M 37710.0 e 1ceaug 2238 QG2 74 SER HN 8.00 # 5M 4821.0 e 1ceaug 1913 QG2 74 SER HA 8.00 # 5M 958.0 e 1ceaug 4734 HG12 73 ILE QD1 3.70 # 1M 34180.0 e 1ceaug 1672 HG12 74 SER HN 7.00 # w 5 1301.0 e 1ceaug 1912 HG13 73 ILE QD1 3.30 # s 1M 80040.0 e 1ceaug 2236 HG13 74 SER HN 7.00 # w 5 758.0 e 1ceaug 2675 74 SER HN 74 SER HA 3.20 # 2 30990.0 e 1ceaug 860 HN 74 SER QB 4.20 # i 2 17510.0*2e 1ceaug 1194 HN 75 GLN HN 3.30 # 2 28300.0 e 1ceaug 3673 HN 75 GLN HB3 5.40 # 2 1353.0 e 1ceaug 4711 HN 75 GLN HE21 5.50 # 5 7867.0 e 1ceaug 3597 HA 74 SER QB 4.80 # m 2 10915.0*2e 1ceaug 3584 HA 75 GLN HN 3.70 # 2 13170.0 e 1ceaug 3672 QB 75 GLN HN 5.30 # m 2 5815.0*2e 1ceaug 3737 QB 75 GLN HA 6.10 # m 2 2047.5*2e 1ceaug 4708 QB 75 GLN HB2 6.90 # m 5 5570.0*2e 1ceaug 4713 75 GLN HN 75 GLN HA 4.60 # 2 3514.0 e 1ceaug 3652 HN 75 GLN HB2 3.70 # 2 13350.0 e 1ceaug 3655 HN 75 GLN HB3 4.30 # 2 5420.0 e 1ceaug 3654 HN 75 GLN QG 6.70 # m 1 1150.0*2e 1ceaug 3668 HN 75 GLN HE21 4.10 <# 1 9373.0 e 1ceaug 4480 HN 75 GLN HE22 5.00 ># 1 2739.0 e 1ceaug 4476 HA 75 GLN HB2 3.60 # 2 15970.0 e 1ceaug 3666 HA 75 GLN HB3 3.90 # 2 9284.0 e 1ceaug 3663 HA 75 GLN QG 4.60 # i 1 10125.0*2e 1ceaug 3662 HA 75 GLN HE21 5.40 # 1 1629.0 e 1ceaug 4481 HA 75 GLN HE22 6.20 # 1 694.0 e 1ceaug 4482 HB2 75 GLN QG 4.80 # m 1 14040.0*2e 1ceaug 3665 HB2 75 GLN HE21 4.60 # 1 4303.0 e 1ceaug 4732 HB3 75 GLN QG 4.40 # m 1 28760.0*2e 1ceaug 3664 HB3 75 GLN HE21 7.00 # w 1 328.0 e 1ceaug 4484 QG 75 GLN HE21 8.00 # m w 1 117.5*2e 1ceaug 4483
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