data_nef_c18445_2lsu save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 2 SER start . . 2 A 3 GLN middle . . 3 A 4 PHE middle . . 4 A 5 GLU middle . . 5 A 6 LYS middle . . 6 A 7 GLN middle . . 7 A 8 LYS middle . . 8 A 9 GLU middle . . 9 A 10 GLN middle . . 10 A 11 GLY middle . false 11 A 12 ASN middle . . 12 A 13 SER middle . . 13 A 14 LEU middle . . 14 A 15 PHE middle . . 15 A 16 LYS middle . . 16 A 17 GLN middle . . 17 A 18 GLY middle . false 18 A 19 LEU middle . . 19 A 20 TYR middle . . 20 A 21 ARG middle . . 21 A 22 GLU middle . . 22 A 23 ALA middle . . 23 A 24 VAL middle . . 24 A 25 HIS middle . . 25 A 26 CYS middle . . 26 A 27 TYR middle . . 27 A 28 ASP middle . . 28 A 29 GLN middle . . 29 A 30 LEU middle . . 30 A 31 ILE middle . . 31 A 32 THR middle . . 32 A 33 ALA middle . . 33 A 34 GLN middle . . 34 A 35 PRO middle . false 35 A 36 GLN middle . . 36 A 37 ASN middle . . 37 A 38 PRO middle . false 38 A 39 VAL middle . . 39 A 40 GLY middle . false 40 A 41 TYR middle . . 41 A 42 SER middle . . 42 A 43 ASN middle . . 43 A 44 LYS middle . . 44 A 45 ALA middle . . 45 A 46 MET middle . . 46 A 47 ALA middle . . 47 A 48 LEU middle . . 48 A 49 ILE middle . . 49 A 50 LYS middle . . 50 A 51 LEU middle . . 51 A 52 GLY middle . false 52 A 53 GLU middle . . 53 A 54 TYR middle . . 54 A 55 THR middle . . 55 A 56 GLN middle . . 56 A 57 ALA middle . . 57 A 58 ILE middle . . 58 A 59 GLN middle . . 59 A 60 MET middle . . 60 A 61 CYS middle . . 61 A 62 GLN middle . . 62 A 63 GLN middle . . 63 A 64 GLY middle . false 64 A 65 LEU middle . . 65 A 66 ARG middle . . 66 A 67 TYR middle . . 67 A 68 THR middle . . 68 A 69 SER middle . . 69 A 70 THR middle . . 70 A 71 ALA middle . . 71 A 72 GLU middle . . 72 A 73 HIS middle . . 73 A 74 VAL middle . . 74 A 75 ALA middle . . 75 A 76 ILE middle . . 76 A 77 ARG middle . . 77 A 78 SER middle . . 78 A 79 LYS middle . . 79 A 80 LEU middle . . 80 A 81 GLN middle . . 81 A 82 TYR middle . . 82 A 83 ARG middle . . 83 A 84 LEU middle . . 84 A 85 GLU middle . . 85 A 86 LEU middle . . 86 A 87 ALA middle . . 87 A 88 GLN middle . . 88 A 89 GLY middle . false 89 A 90 ALA middle . . 90 A 91 VAL middle . . 91 A 92 GLY middle . false 92 A 93 SER middle . . 93 A 94 VAL middle . . 94 A 95 GLN middle . . 95 A 96 ILE middle . . 96 A 97 PRO middle . false 97 A 98 VAL middle . . 98 A 99 VAL middle . . 99 A 100 GLU middle . . 100 A 101 VAL middle . . 101 A 102 ASP middle . . 102 A 103 GLU middle . . 103 A 104 LEU middle . . 104 A 105 PRO middle . false 105 A 106 GLU middle . . 106 A 107 GLY middle . false 107 A 108 TYR middle . . 108 A 109 ASP middle . . 109 A 110 ARG middle . . 110 A 111 SER end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 4 PHE H H 1 8.185 0.000 A 4 PHE HA H 1 3.797 0.008 A 4 PHE HBx H 1 2.763 0.009 A 4 PHE HBy H 1 2.914 0.013 A 4 PHE HDx H 1 6.919 0.006 A 4 PHE HDy H 1 6.919 0.006 A 4 PHE HEx H 1 7.214 0.001 A 4 PHE HEy H 1 7.214 0.001 A 4 PHE HZ H 1 6.808 0.002 A 4 PHE CA C 13 61.056 0.022 A 4 PHE CB C 13 39.377 0.065 A 5 GLU H H 1 7.851 0.003 A 5 GLU HA H 1 3.762 0.009 A 5 GLU HBx H 1 1.891 0.004 A 5 GLU HBy H 1 1.973 0.003 A 5 GLU HGx H 1 2.271 0.004 A 5 GLU HGy H 1 2.271 0.004 A 5 GLU CA C 13 58.630 0.026 A 5 GLU CB C 13 28.448 0.174 A 5 GLU CG C 13 35.776 0.057 A 6 LYS H H 1 7.857 0.007 A 6 LYS HA H 1 3.870 0.003 A 6 LYS HBx H 1 1.676 0.001 A 6 LYS HBy H 1 1.738 0.002 A 6 LYS HDx H 1 1.450 0.002 A 6 LYS HDy H 1 1.450 0.002 A 6 LYS HEx H 1 2.740 0.001 A 6 LYS HEy H 1 2.740 0.001 A 6 LYS HGx H 1 1.217 0.003 A 6 LYS HGy H 1 1.369 0.001 A 6 LYS CA C 13 58.668 0.000 A 6 LYS CB C 13 31.571 0.016 A 6 LYS CD C 13 28.362 0.050 A 6 LYS CE C 13 41.438 0.006 A 6 LYS CG C 13 24.442 0.031 A 7 GLN H H 1 8.147 0.006 A 7 GLN HA H 1 3.859 0.003 A 7 GLN HBx H 1 1.668 0.002 A 7 GLN HBy H 1 1.836 0.000 A 7 GLN HE2y H 1 6.921 0.000 A 7 GLN HE2x H 1 6.358 0.000 A 7 GLN HGx H 1 2.049 0.001 A 7 GLN HGy H 1 2.049 0.001 A 7 GLN CA C 13 57.900 0.000 A 7 GLN CB C 13 27.345 0.023 A 7 GLN CG C 13 33.532 0.060 A 8 LYS H H 1 8.088 0.003 A 8 LYS HA H 1 3.451 0.007 A 8 LYS HBx H 1 1.308 0.012 A 8 LYS HBy H 1 1.774 0.004 A 8 LYS HDx H 1 1.341 0.006 A 8 LYS HDy H 1 1.609 0.002 A 8 LYS HEx H 1 2.634 0.002 A 8 LYS HEy H 1 2.757 0.004 A 8 LYS HGx H 1 0.950 0.010 A 8 LYS HGy H 1 1.081 0.004 A 8 LYS CA C 13 59.742 0.000 A 8 LYS CB C 13 31.094 0.058 A 8 LYS CD C 13 28.764 0.046 A 8 LYS CE C 13 40.636 0.036 A 8 LYS CG C 13 23.008 0.054 A 9 GLU H H 1 8.082 0.006 A 9 GLU HA H 1 3.885 0.003 A 9 GLU HBx H 1 1.930 0.005 A 9 GLU HBy H 1 1.930 0.005 A 9 GLU HGx H 1 2.159 0.025 A 9 GLU HGy H 1 2.159 0.025 A 9 GLU CA C 13 58.412 0.024 A 9 GLU CB C 13 28.592 0.050 A 9 GLU CG C 13 35.409 0.003 A 10 GLN H H 1 8.115 0.003 A 10 GLN HA H 1 3.936 0.002 A 10 GLN HBx H 1 1.933 0.002 A 10 GLN HBy H 1 1.933 0.002 A 10 GLN HE2y H 1 6.942 0.002 A 10 GLN HE2x H 1 6.630 0.001 A 10 GLN HGx H 1 2.179 0.002 A 10 GLN HGy H 1 2.222 0.003 A 10 GLN CA C 13 58.261 0.004 A 10 GLN CB C 13 27.478 0.007 A 10 GLN CG C 13 32.992 0.022 A 11 GLY H H 1 8.306 0.000 A 11 GLY HA2 H 1 3.045 0.008 A 11 GLY HAx H 1 3.045 0.008 A 11 GLY HAy H 1 3.242 0.004 A 11 GLY CA C 13 47.285 0.053 A 12 ASN H H 1 8.516 0.002 A 12 ASN HA H 1 4.344 0.004 A 12 ASN HBx H 1 2.690 0.005 A 12 ASN HBy H 1 2.881 0.002 A 12 ASN HD2y H 1 7.578 0.004 A 12 ASN HD2x H 1 6.708 0.000 A 12 ASN CA C 13 54.928 0.032 A 12 ASN CB C 13 36.428 0.052 A 13 SER H H 1 8.292 0.002 A 13 SER HA H 1 4.071 0.008 A 13 SER HBx H 1 3.839 0.003 A 13 SER HBy H 1 3.839 0.003 A 13 SER CA C 13 61.067 0.015 A 13 SER CB C 13 62.038 0.014 A 14 LEU H H 1 7.906 0.006 A 14 LEU HA H 1 3.789 0.010 A 14 LEU HBx H 1 1.374 0.024 A 14 LEU HBy H 1 1.623 0.007 A 14 LEU HD1% H 1 0.632 0.000 A 14 LEU HD2% H 1 0.626 0.000 A 14 LEU HG H 1 1.898 0.000 A 14 LEU CA C 13 57.578 0.078 A 14 LEU CB C 13 40.268 0.085 A 14 LEU CDx C 13 22.476 0.000 A 14 LEU CDy C 13 22.506 0.000 A 14 LEU CG C 13 31.890 0.000 A 15 PHE H H 1 8.761 0.002 A 15 PHE HA H 1 3.452 0.005 A 15 PHE HBx H 1 3.027 0.007 A 15 PHE HBy H 1 3.366 0.006 A 15 PHE HDx H 1 7.046 0.020 A 15 PHE HDy H 1 7.046 0.020 A 15 PHE HEx H 1 7.040 0.005 A 15 PHE HEy H 1 7.040 0.005 A 15 PHE HZ H 1 7.110 0.002 A 15 PHE CA C 13 61.929 0.000 A 15 PHE CB C 13 39.374 0.064 A 16 LYS H H 1 8.283 0.003 A 16 LYS HA H 1 3.830 0.006 A 16 LYS HBx H 1 1.882 0.004 A 16 LYS HBy H 1 1.882 0.004 A 16 LYS HDx H 1 1.563 0.003 A 16 LYS HDy H 1 1.563 0.003 A 16 LYS HEx H 1 2.801 0.003 A 16 LYS HEy H 1 2.801 0.003 A 16 LYS HGx H 1 1.426 0.007 A 16 LYS HGy H 1 1.565 0.002 A 16 LYS CA C 13 58.832 0.022 A 16 LYS CB C 13 31.824 0.044 A 16 LYS CD C 13 28.827 0.053 A 16 LYS CE C 13 41.451 0.031 A 16 LYS CG C 13 25.009 0.047 A 17 GLN H H 1 7.205 0.004 A 17 GLN HA H 1 4.016 0.003 A 17 GLN HBx H 1 1.836 0.004 A 17 GLN HBy H 1 2.012 0.003 A 17 GLN HE2y H 1 7.434 0.007 A 17 GLN HE2x H 1 6.794 0.000 A 17 GLN HGx H 1 2.141 0.002 A 17 GLN HGy H 1 2.343 0.002 A 17 GLN CA C 13 55.409 0.000 A 17 GLN CB C 13 29.972 0.023 A 17 GLN CG C 13 33.901 0.091 A 18 GLY H H 1 7.432 0.001 A 18 GLY HA2 H 1 2.478 0.002 A 18 GLY HAx H 1 2.478 0.002 A 18 GLY HAy H 1 3.556 0.001 A 18 GLY CA C 13 43.590 0.009 A 19 LEU H H 1 7.400 0.003 A 19 LEU HA H 1 4.140 0.002 A 19 LEU HBx H 1 1.262 0.006 A 19 LEU HBy H 1 1.343 0.005 A 19 LEU HD1% H 1 0.477 0.004 A 19 LEU HD2% H 1 0.552 0.001 A 19 LEU HG H 1 1.032 0.003 A 19 LEU CA C 13 51.818 0.021 A 19 LEU CB C 13 38.032 0.030 A 19 LEU CDx C 13 22.419 0.012 A 19 LEU CDy C 13 25.411 0.033 A 19 LEU CG C 13 25.911 0.012 A 20 TYR H H 1 6.471 0.001 A 20 TYR HA H 1 3.874 0.010 A 20 TYR HBx H 1 2.511 0.008 A 20 TYR HBy H 1 2.976 0.011 A 20 TYR HDx H 1 6.667 0.011 A 20 TYR HDy H 1 6.667 0.011 A 20 TYR HEx H 1 6.049 0.007 A 20 TYR HEy H 1 6.049 0.007 A 20 TYR CA C 13 60.991 0.024 A 20 TYR CB C 13 37.343 0.048 A 21 ARG H H 1 8.824 0.002 A 21 ARG HA H 1 3.649 0.005 A 21 ARG HBx H 1 1.567 0.000 A 21 ARG HBy H 1 1.681 0.000 A 21 ARG HDx H 1 2.964 0.003 A 21 ARG HDy H 1 2.964 0.003 A 21 ARG HGx H 1 1.507 0.001 A 21 ARG HGy H 1 1.507 0.001 A 21 ARG CA C 13 58.639 0.000 A 21 ARG CB C 13 27.920 0.065 A 21 ARG CD C 13 41.797 0.024 A 21 ARG CG C 13 26.474 0.000 A 22 GLU H H 1 9.162 0.001 A 22 GLU HA H 1 3.723 0.002 A 22 GLU HBx H 1 1.786 0.006 A 22 GLU HBy H 1 1.786 0.006 A 22 GLU HGx H 1 2.019 0.003 A 22 GLU HGy H 1 2.253 0.004 A 22 GLU CA C 13 59.653 0.023 A 22 GLU CB C 13 27.626 0.000 A 22 GLU CG C 13 36.580 0.068 A 23 ALA H H 1 8.175 0.001 A 23 ALA HA H 1 3.502 0.007 A 23 ALA HB% H 1 1.312 0.001 A 23 ALA CA C 13 55.223 0.028 A 23 ALA CB C 13 16.661 0.005 A 24 VAL H H 1 8.104 0.001 A 24 VAL HA H 1 3.131 0.004 A 24 VAL HB H 1 2.171 0.002 A 24 VAL HG1% H 1 0.964 0.005 A 24 VAL HG2% H 1 0.728 0.004 A 24 VAL CA C 13 67.992 0.014 A 24 VAL CB C 13 30.527 0.015 A 24 VAL CGy C 13 24.545 0.015 A 24 VAL CGx C 13 21.550 0.045 A 25 HIS H H 1 7.151 0.002 A 25 HIS HA H 1 4.250 0.010 A 25 HIS HBx H 1 2.971 0.007 A 25 HIS HBy H 1 3.052 0.000 A 25 HIS HD2 H 1 6.801 0.007 A 25 HIS HE1 H 1 7.529 0.002 A 25 HIS CA C 13 59.103 0.000 A 25 HIS CB C 13 29.241 0.042 A 26 CYS H H 1 7.127 0.004 A 26 CYS HA H 1 3.869 0.002 A 26 CYS HBx H 1 2.396 0.002 A 26 CYS HBy H 1 2.545 0.002 A 26 CYS CA C 13 62.417 0.022 A 26 CYS CB C 13 25.995 0.088 A 27 TYR H H 1 8.349 0.007 A 27 TYR HA H 1 4.278 0.010 A 27 TYR HBx H 1 2.566 0.013 A 27 TYR HBy H 1 3.047 0.012 A 27 TYR HDx H 1 6.480 0.011 A 27 TYR HDy H 1 6.480 0.011 A 27 TYR HEx H 1 6.411 0.006 A 27 TYR HEy H 1 6.411 0.006 A 27 TYR CA C 13 57.449 0.000 A 27 TYR CB C 13 35.722 0.059 A 28 ASP H H 1 9.039 0.002 A 28 ASP HA H 1 4.281 0.007 A 28 ASP HBx H 1 2.299 0.002 A 28 ASP HBy H 1 2.607 0.003 A 28 ASP CA C 13 57.195 0.020 A 28 ASP CB C 13 39.993 0.013 A 29 GLN H H 1 7.158 0.006 A 29 GLN HA H 1 3.828 0.000 A 29 GLN HBx H 1 1.875 0.000 A 29 GLN HBy H 1 2.080 0.000 A 29 GLN HE2x H 1 6.648 0.000 A 29 GLN HE2y H 1 6.789 0.000 A 29 GLN HGx H 1 2.182 0.003 A 29 GLN HGy H 1 2.349 0.003 A 29 GLN CA C 13 57.354 0.000 A 29 GLN CB C 13 27.411 0.116 A 29 GLN CG C 13 33.220 0.036 A 30 LEU H H 1 7.275 0.006 A 30 LEU HA H 1 3.793 0.004 A 30 LEU HBx H 1 1.203 0.006 A 30 LEU HBy H 1 1.954 0.004 A 30 LEU HD1% H 1 -0.248 0.001 A 30 LEU HD2% H 1 0.433 0.006 A 30 LEU HG H 1 1.544 0.012 A 30 LEU CA C 13 56.887 0.061 A 30 LEU CB C 13 39.013 0.039 A 30 LEU CDx C 13 21.073 0.025 A 30 LEU CDy C 13 25.290 0.087 A 30 LEU CG C 13 25.515 0.000 A 31 ILE H H 1 7.116 0.004 A 31 ILE HA H 1 3.123 0.004 A 31 ILE HB H 1 1.450 0.005 A 31 ILE HD1% H 1 0.273 0.005 A 31 ILE HG1x H 1 -0.555 0.005 A 31 ILE HG1y H 1 1.002 0.005 A 31 ILE HG2% H 1 0.437 0.003 A 31 ILE CA C 13 64.236 0.018 A 31 ILE CB C 13 37.988 0.039 A 31 ILE CD1 C 13 15.140 0.013 A 31 ILE CG1 C 13 28.266 0.031 A 31 ILE CG2 C 13 16.331 0.022 A 32 THR H H 1 7.612 0.001 A 32 THR HA H 1 3.595 0.000 A 32 THR HB H 1 3.840 0.001 A 32 THR HG2% H 1 0.991 0.000 A 32 THR CA C 13 65.195 0.001 A 32 THR CB C 13 68.221 0.002 A 32 THR CG2 C 13 21.286 0.006 A 33 ALA H H 1 7.474 0.001 A 33 ALA HA H 1 4.014 0.001 A 33 ALA HB% H 1 1.519 0.000 A 33 ALA CA C 13 54.048 0.148 A 33 ALA CB C 13 19.326 0.004 A 34 GLN H H 1 7.800 0.007 A 34 GLN HA H 1 4.608 0.002 A 34 GLN HBx H 1 1.769 0.000 A 34 GLN HBy H 1 1.860 0.002 A 34 GLN HE2x H 1 6.105 0.000 A 34 GLN HE2y H 1 6.951 0.000 A 34 GLN HGx H 1 1.888 0.005 A 34 GLN HGy H 1 2.056 0.001 A 34 GLN CB C 13 29.500 0.000 A 34 GLN CG C 13 32.731 0.079 A 35 PRO HA H 1 4.579 0.020 A 35 PRO HBx H 1 1.731 0.011 A 35 PRO HBy H 1 2.255 0.003 A 35 PRO HDx H 1 3.222 0.002 A 35 PRO HDy H 1 3.368 0.005 A 35 PRO HGx H 1 1.664 0.003 A 35 PRO HGy H 1 1.898 0.004 A 35 PRO CA C 13 63.794 0.055 A 35 PRO CB C 13 31.466 0.026 A 35 PRO CD C 13 49.308 0.046 A 35 PRO CG C 13 26.441 0.061 A 36 GLN H H 1 8.157 0.002 A 36 GLN HA H 1 3.074 0.002 A 36 GLN HBx H 1 1.494 0.002 A 36 GLN HBy H 1 1.727 0.002 A 36 GLN HE2y H 1 7.244 0.000 A 36 GLN HE2x H 1 6.712 0.000 A 36 GLN HGx H 1 1.824 0.001 A 36 GLN HGy H 1 1.824 0.001 A 36 GLN CA C 13 53.509 0.000 A 36 GLN CB C 13 26.480 0.013 A 36 GLN CG C 13 33.564 0.016 A 37 ASN H H 1 7.607 0.002 A 37 ASN HA H 1 4.894 0.006 A 37 ASN HBx H 1 2.515 0.004 A 37 ASN HBy H 1 3.416 0.008 A 37 ASN HD2x H 1 6.759 0.000 A 37 ASN HD2y H 1 7.087 0.000 A 37 ASN CA C 13 48.566 0.041 A 37 ASN CB C 13 39.206 0.077 A 38 PRO HA H 1 4.365 0.003 A 38 PRO HBx H 1 1.549 0.007 A 38 PRO HBy H 1 2.112 0.009 A 38 PRO HDx H 1 3.590 0.001 A 38 PRO HDy H 1 3.715 0.003 A 38 PRO HGy H 1 1.480 0.002 A 38 PRO HGx H 1 1.315 0.003 A 38 PRO CA C 13 63.962 0.009 A 38 PRO CB C 13 32.142 0.127 A 38 PRO CD C 13 49.975 0.073 A 38 PRO CG C 13 26.340 0.058 A 39 VAL H H 1 8.046 0.007 A 39 VAL HA H 1 3.408 0.003 A 39 VAL HB H 1 1.790 0.008 A 39 VAL HG1% H 1 0.896 0.003 A 39 VAL HG2% H 1 0.703 0.017 A 39 VAL CA C 13 65.809 0.009 A 39 VAL CB C 13 31.405 0.005 A 39 VAL CGy C 13 22.700 0.007 A 39 VAL CGx C 13 20.154 0.137 A 40 GLY H H 1 7.179 0.004 A 40 GLY HAx H 1 3.143 0.007 A 40 GLY HAy H 1 3.712 0.003 A 40 GLY CA C 13 48.097 0.048 A 41 TYR H H 1 6.239 0.002 A 41 TYR HA H 1 3.681 0.010 A 41 TYR HBx H 1 2.527 0.016 A 41 TYR HBy H 1 3.253 0.012 A 41 TYR HDx H 1 7.297 0.011 A 41 TYR HDy H 1 7.297 0.011 A 41 TYR HEx H 1 6.652 0.008 A 41 TYR HEy H 1 6.652 0.008 A 41 TYR CA C 13 60.760 0.000 A 41 TYR CB C 13 37.261 0.035 A 42 SER H H 1 7.655 0.003 A 42 SER HA H 1 3.677 0.010 A 42 SER HBx H 1 3.346 0.014 A 42 SER HBy H 1 3.785 0.008 A 42 SER CA C 13 60.490 0.003 A 42 SER CB C 13 63.130 0.050 A 43 ASN H H 1 7.880 0.001 A 43 ASN HA H 1 3.737 0.004 A 43 ASN HBx H 1 0.361 0.006 A 43 ASN HBy H 1 1.393 0.007 A 43 ASN CA C 13 54.810 0.036 A 43 ASN CB C 13 33.790 0.028 A 44 LYS H H 1 7.899 0.003 A 44 LYS HA H 1 3.680 0.000 A 44 LYS HBx H 1 1.631 0.000 A 44 LYS HBy H 1 1.674 0.000 A 44 LYS CA C 13 60.631 0.000 A 44 LYS CB C 13 32.881 0.013 A 45 ALA H H 1 8.355 0.009 A 45 ALA HA H 1 3.671 0.006 A 45 ALA HB% H 1 1.328 0.007 A 45 ALA CA C 13 55.492 0.091 A 45 ALA CB C 13 18.800 0.000 A 46 MET H H 1 7.288 0.011 A 46 MET HA H 1 3.982 0.002 A 46 MET HBx H 1 1.541 0.005 A 46 MET HBy H 1 2.109 0.013 A 46 MET HE% H 1 2.057 0.000 A 46 MET HGx H 1 2.096 0.002 A 46 MET HGy H 1 2.328 0.003 A 46 MET CA C 13 57.400 0.000 A 46 MET CB C 13 32.464 0.190 A 46 MET CE C 13 19.982 0.000 A 46 MET CG C 13 31.561 0.058 A 47 ALA H H 1 7.511 0.009 A 47 ALA HA H 1 4.009 0.000 A 47 ALA HB% H 1 1.633 0.002 A 47 ALA CA C 13 55.099 0.014 A 47 ALA CB C 13 18.343 0.006 A 48 LEU H H 1 8.337 0.004 A 48 LEU HA H 1 3.731 0.005 A 48 LEU HBx H 1 1.459 0.008 A 48 LEU HBy H 1 1.707 0.014 A 48 LEU HD1% H 1 0.686 0.003 A 48 LEU HD2% H 1 0.529 0.003 A 48 LEU HG H 1 1.659 0.001 A 48 LEU CA C 13 57.358 0.055 A 48 LEU CB C 13 40.440 0.043 A 48 LEU CDx C 13 21.308 0.036 A 48 LEU CDy C 13 26.660 0.032 A 48 LEU CG C 13 25.745 0.041 A 49 ILE H H 1 8.210 0.009 A 49 ILE HA H 1 3.084 0.003 A 49 ILE HB H 1 1.848 0.007 A 49 ILE HD1% H 1 0.725 0.006 A 49 ILE HG1x H 1 0.573 0.012 A 49 ILE HG1y H 1 1.693 0.018 A 49 ILE HG2% H 1 0.742 0.004 A 49 ILE CA C 13 65.816 0.007 A 49 ILE CB C 13 37.182 0.060 A 49 ILE CD1 C 13 13.278 0.018 A 49 ILE CG1 C 13 30.981 0.043 A 49 ILE CG2 C 13 16.774 0.218 A 50 LYS H H 1 7.042 0.008 A 50 LYS HA H 1 3.649 0.007 A 50 LYS HBx H 1 0.397 0.004 A 50 LYS HBy H 1 1.069 0.005 A 50 LYS HDx H 1 1.176 0.001 A 50 LYS HDy H 1 1.429 0.001 A 50 LYS HEx H 1 2.688 0.016 A 50 LYS HEy H 1 2.688 0.016 A 50 LYS HGx H 1 0.737 0.000 A 50 LYS HGy H 1 1.278 0.004 A 50 LYS CA C 13 56.053 0.000 A 50 LYS CB C 13 28.625 0.057 A 50 LYS CD C 13 26.682 0.078 A 50 LYS CE C 13 41.379 0.025 A 50 LYS CG C 13 23.945 0.062 A 51 LEU H H 1 6.940 0.014 A 51 LEU HA H 1 4.015 0.003 A 51 LEU HBx H 1 1.467 0.005 A 51 LEU HBy H 1 1.580 0.003 A 51 LEU HD1% H 1 0.873 0.002 A 51 LEU HD2% H 1 0.518 0.006 A 51 LEU HG H 1 1.421 0.001 A 51 LEU CA C 13 54.387 0.087 A 51 LEU CB C 13 43.192 0.023 A 51 LEU CDx C 13 22.922 0.011 A 51 LEU CDy C 13 24.617 0.034 A 51 LEU CG C 13 26.139 0.090 A 52 GLY H H 1 7.478 0.001 A 52 GLY HAx H 1 2.676 0.000 A 52 GLY HAy H 1 3.663 0.004 A 52 GLY CA C 13 44.130 0.006 A 53 GLU H H 1 7.574 0.005 A 53 GLU HA H 1 4.282 0.003 A 53 GLU HBx H 1 1.414 0.003 A 53 GLU HBy H 1 1.857 0.004 A 53 GLU HGx H 1 1.762 0.002 A 53 GLU HGy H 1 1.902 0.006 A 53 GLU CA C 13 53.077 0.000 A 53 GLU CB C 13 26.912 0.117 A 53 GLU CG C 13 33.620 0.070 A 54 TYR H H 1 6.775 0.002 A 54 TYR HA H 1 3.784 0.011 A 54 TYR HBx H 1 2.623 0.013 A 54 TYR HBy H 1 3.085 0.011 A 54 TYR HDx H 1 6.784 0.008 A 54 TYR HDy H 1 6.784 0.008 A 54 TYR HEx H 1 6.708 0.001 A 54 TYR HEy H 1 6.708 0.001 A 54 TYR CA C 13 60.966 0.012 A 54 TYR CB C 13 37.351 0.032 A 55 THR H H 1 8.439 0.003 A 55 THR HA H 1 3.736 0.002 A 55 THR HB H 1 3.996 0.001 A 55 THR HG2% H 1 1.083 0.001 A 55 THR CA C 13 66.526 0.033 A 55 THR CB C 13 67.280 0.028 A 55 THR CG2 C 13 21.553 0.003 A 56 GLN H H 1 8.211 0.012 A 56 GLN HA H 1 3.994 0.003 A 56 GLN HBx H 1 1.862 0.000 A 56 GLN HBy H 1 1.956 0.000 A 56 GLN HE2y H 1 7.184 0.003 A 56 GLN HE2x H 1 6.648 0.003 A 56 GLN HGx H 1 2.185 0.002 A 56 GLN HGy H 1 2.379 0.001 A 56 GLN CA C 13 58.469 0.000 A 56 GLN CB C 13 28.614 0.013 A 56 GLN CG C 13 34.256 0.065 A 57 ALA H H 1 8.172 0.004 A 57 ALA HA H 1 3.676 0.004 A 57 ALA HB% H 1 1.345 0.011 A 57 ALA CA C 13 54.841 0.059 A 57 ALA CB C 13 18.034 0.022 A 58 ILE H H 1 8.283 0.004 A 58 ILE HA H 1 3.193 0.002 A 58 ILE HB H 1 1.813 0.008 A 58 ILE HD1% H 1 0.608 0.005 A 58 ILE HG1x H 1 0.656 0.006 A 58 ILE HG1y H 1 1.837 0.007 A 58 ILE HG2% H 1 0.616 0.000 A 58 ILE CA C 13 66.031 0.015 A 58 ILE CB C 13 38.064 0.023 A 58 ILE CD1 C 13 13.696 0.012 A 58 ILE CG1 C 13 30.082 0.046 A 58 ILE CG2 C 13 15.536 0.003 A 59 GLN H H 1 7.157 0.019 A 59 GLN HA H 1 3.726 0.001 A 59 GLN HBx H 1 1.977 0.000 A 59 GLN HBy H 1 1.977 0.000 A 59 GLN HGx H 1 2.185 0.000 A 59 GLN HGy H 1 2.378 0.002 A 59 GLN CA C 13 58.242 0.000 A 59 GLN CB C 13 27.488 0.000 A 59 GLN CG C 13 33.899 0.001 A 60 MET H H 1 8.088 0.004 A 60 MET HA H 1 4.466 0.009 A 60 MET HBx H 1 2.037 0.017 A 60 MET HBy H 1 2.285 0.003 A 60 MET HE% H 1 2.058 0.000 A 60 MET HGx H 1 2.303 0.004 A 60 MET HGy H 1 2.610 0.003 A 60 MET CA C 13 56.520 0.030 A 60 MET CB C 13 34.633 0.041 A 60 MET CE C 13 19.988 0.007 A 60 MET CG C 13 32.946 0.013 A 61 CYS H H 1 8.384 0.002 A 61 CYS HA H 1 3.921 0.003 A 61 CYS HBx H 1 2.304 0.002 A 61 CYS HBy H 1 2.963 0.002 A 61 CYS CA C 13 63.386 0.034 A 61 CYS CB C 13 27.292 0.014 A 62 GLN H H 1 8.274 0.004 A 62 GLN HA H 1 3.717 0.006 A 62 GLN HBx H 1 1.664 0.001 A 62 GLN HBy H 1 1.997 0.001 A 62 GLN HE2x H 1 6.510 0.007 A 62 GLN HE2y H 1 6.971 0.000 A 62 GLN HGx H 1 2.095 0.002 A 62 GLN HGy H 1 2.362 0.002 A 62 GLN CA C 13 58.400 0.000 A 62 GLN CB C 13 27.400 0.000 A 62 GLN CG C 13 33.602 0.043 A 63 GLN H H 1 7.749 0.002 A 63 GLN HA H 1 3.517 0.002 A 63 GLN HBx H 1 1.539 0.001 A 63 GLN HBy H 1 1.792 0.001 A 63 GLN HE2x H 1 6.652 0.000 A 63 GLN HGx H 1 2.101 0.002 A 63 GLN HGy H 1 2.167 0.003 A 63 GLN CA C 13 58.183 0.000 A 63 GLN CB C 13 27.937 0.015 A 63 GLN CG C 13 33.494 0.039 A 64 GLY H H 1 8.029 0.000 A 64 GLY HAx H 1 3.124 0.009 A 64 GLY HAy H 1 3.124 0.009 A 64 GLY CA C 13 47.401 0.074 A 65 LEU H H 1 7.908 0.005 A 65 LEU HA H 1 3.910 0.003 A 65 LEU HBx H 1 1.145 0.002 A 65 LEU HBy H 1 1.576 0.004 A 65 LEU HD1% H 1 0.487 0.003 A 65 LEU HD2% H 1 0.766 0.006 A 65 LEU HG H 1 1.508 0.000 A 65 LEU CA C 13 56.300 0.015 A 65 LEU CB C 13 41.395 0.017 A 65 LEU CDy C 13 24.792 0.007 A 65 LEU CDx C 13 24.150 0.000 A 65 LEU CG C 13 27.338 0.000 A 66 ARG H H 1 6.974 0.007 A 66 ARG HA H 1 3.649 0.005 A 66 ARG HBx H 1 0.883 0.003 A 66 ARG HBy H 1 1.067 0.005 A 66 ARG HDx H 1 2.702 0.002 A 66 ARG HDy H 1 2.743 0.002 A 66 ARG HGy H 1 1.421 0.001 A 66 ARG HGx H 1 1.109 0.000 A 66 ARG CA C 13 57.624 0.000 A 66 ARG CB C 13 28.748 0.022 A 66 ARG CD C 13 42.898 0.015 A 66 ARG CG C 13 26.272 0.053 A 67 TYR H H 1 7.069 0.000 A 67 TYR HA H 1 4.709 0.009 A 67 TYR HBx H 1 2.149 0.017 A 67 TYR HBy H 1 3.442 0.004 A 67 TYR HDx H 1 6.714 0.008 A 67 TYR HDy H 1 6.714 0.008 A 67 TYR HEx H 1 6.408 0.002 A 67 TYR HEy H 1 6.408 0.002 A 67 TYR CB C 13 38.621 0.071 A 68 THR H H 1 7.041 0.003 A 68 THR HA H 1 4.370 0.003 A 68 THR HB H 1 4.370 0.003 A 68 THR HG2% H 1 0.841 0.005 A 68 THR CA C 13 59.524 0.047 A 68 THR CB C 13 69.067 0.034 A 68 THR CG2 C 13 21.587 0.001 A 69 SER HA H 1 4.317 0.000 A 69 SER HBx H 1 3.717 0.002 A 69 SER HBy H 1 3.852 0.004 A 69 SER CA C 13 58.836 0.006 A 69 SER CB C 13 63.332 0.024 A 70 THR H H 1 7.816 0.000 A 70 THR HA H 1 4.321 0.003 A 70 THR HB H 1 4.312 0.000 A 70 THR HG2% H 1 1.050 0.001 A 70 THR CA C 13 60.639 0.039 A 70 THR CB C 13 69.491 0.000 A 70 THR CG2 C 13 21.361 0.000 A 71 ALA H H 1 8.433 0.000 A 71 ALA HA H 1 3.999 0.000 A 71 ALA HB% H 1 1.225 0.000 A 71 ALA CA C 13 53.708 0.007 A 71 ALA CB C 13 18.000 0.000 A 72 GLU H H 1 8.197 0.009 A 72 GLU HA H 1 3.968 0.007 A 72 GLU HBx H 1 1.473 0.000 A 72 GLU HBy H 1 1.544 0.000 A 72 GLU HGx H 1 1.701 0.000 A 72 GLU HGy H 1 1.701 0.000 A 72 GLU CA C 13 57.354 0.000 A 72 GLU CB C 13 28.943 0.153 A 72 GLU CG C 13 30.800 0.000 A 73 HIS H H 1 7.525 0.004 A 73 HIS HA H 1 4.850 0.010 A 73 HIS HBx H 1 2.792 0.008 A 73 HIS HBy H 1 3.167 0.013 A 73 HIS HD2 H 1 6.938 0.009 A 73 HIS HE1 H 1 7.564 0.001 A 73 HIS CA C 13 55.123 0.042 A 73 HIS CB C 13 30.987 0.054 A 74 VAL H H 1 7.204 0.006 A 74 VAL HA H 1 3.510 0.001 A 74 VAL HB H 1 1.919 0.003 A 74 VAL HG1% H 1 0.877 0.000 A 74 VAL HG2% H 1 0.811 0.001 A 74 VAL CA C 13 66.156 0.003 A 74 VAL CB C 13 31.186 0.022 A 74 VAL CGy C 13 21.461 0.019 A 74 VAL CGx C 13 20.201 0.132 A 75 ALA H H 1 8.494 0.000 A 75 ALA HA H 1 4.101 0.007 A 75 ALA HB% H 1 1.271 0.005 A 75 ALA CA C 13 54.500 0.000 A 75 ALA CB C 13 17.282 0.023 A 76 ILE H H 1 7.972 0.034 A 76 ILE HA H 1 3.864 0.005 A 76 ILE HB H 1 1.735 0.002 A 76 ILE HD1% H 1 0.718 0.006 A 76 ILE HG1x H 1 1.091 0.007 A 76 ILE HG1y H 1 1.414 0.028 A 76 ILE HG2% H 1 0.841 0.011 A 76 ILE CA C 13 62.100 0.000 A 76 ILE CB C 13 37.072 0.013 A 76 ILE CD1 C 13 13.213 0.017 A 76 ILE CG1 C 13 28.908 0.058 A 76 ILE CG2 C 13 17.697 0.024 A 77 ARG H H 1 8.540 0.002 A 77 ARG HA H 1 3.734 0.000 A 77 ARG HBx H 1 1.775 0.000 A 77 ARG HBy H 1 1.928 0.000 A 77 ARG HDx H 1 2.970 0.002 A 77 ARG HDy H 1 2.970 0.002 A 77 ARG HGx H 1 1.301 0.002 A 77 ARG HGy H 1 1.478 0.002 A 77 ARG CA C 13 59.732 0.000 A 77 ARG CB C 13 29.800 0.000 A 77 ARG CD C 13 43.254 0.048 A 77 ARG CG C 13 26.332 0.100 A 78 SER H H 1 7.689 0.001 A 78 SER HA H 1 4.096 0.007 A 78 SER HBx H 1 3.808 0.014 A 78 SER HBy H 1 3.808 0.014 A 78 SER CA C 13 61.213 0.011 A 78 SER CB C 13 62.023 0.024 A 79 LYS H H 1 7.328 0.006 A 79 LYS HA H 1 3.998 0.005 A 79 LYS HBx H 1 1.517 0.007 A 79 LYS HBy H 1 1.834 0.006 A 79 LYS HDx H 1 1.371 0.009 A 79 LYS HDy H 1 1.371 0.009 A 79 LYS HEx H 1 2.685 0.009 A 79 LYS HEy H 1 2.685 0.009 A 79 LYS HGx H 1 1.234 0.008 A 79 LYS HGy H 1 1.370 0.003 A 79 LYS CA C 13 58.682 0.074 A 79 LYS CB C 13 31.678 0.062 A 79 LYS CD C 13 28.457 0.019 A 79 LYS CE C 13 41.347 0.007 A 79 LYS CG C 13 24.458 0.023 A 80 LEU H H 1 8.470 0.012 A 80 LEU HA H 1 3.699 0.008 A 80 LEU HBx H 1 1.029 0.006 A 80 LEU HBy H 1 2.050 0.013 A 80 LEU HD1% H 1 0.826 0.013 A 80 LEU HD2% H 1 0.570 0.003 A 80 LEU HG H 1 1.496 0.005 A 80 LEU CA C 13 58.230 0.000 A 80 LEU CB C 13 42.289 0.030 A 80 LEU CDx C 13 24.329 0.060 A 80 LEU CDy C 13 26.259 0.006 A 80 LEU CG C 13 26.483 0.000 A 81 GLN H H 1 8.381 0.005 A 81 GLN HA H 1 3.699 0.003 A 81 GLN HBx H 1 1.840 0.002 A 81 GLN HBy H 1 2.092 0.000 A 81 GLN HE2y H 1 7.627 0.001 A 81 GLN HE2x H 1 6.462 0.002 A 81 GLN HGx H 1 2.156 0.001 A 81 GLN HGy H 1 2.296 0.004 A 81 GLN CA C 13 58.309 0.000 A 81 GLN CB C 13 27.518 0.017 A 81 GLN CG C 13 33.050 0.028 A 82 TYR H H 1 7.824 0.002 A 82 TYR HA H 1 4.130 0.007 A 82 TYR HBx H 1 2.914 0.011 A 82 TYR HBy H 1 3.083 0.008 A 82 TYR HDx H 1 6.915 0.009 A 82 TYR HDy H 1 6.915 0.009 A 82 TYR HEx H 1 6.616 0.003 A 82 TYR HEy H 1 6.616 0.003 A 82 TYR CA C 13 60.304 0.023 A 82 TYR CB C 13 37.712 0.036 A 83 ARG H H 1 8.180 0.003 A 83 ARG HA H 1 3.709 0.013 A 83 ARG HBx H 1 1.483 0.000 A 83 ARG HBy H 1 1.897 0.003 A 83 ARG HDx H 1 3.378 0.000 A 83 ARG HDy H 1 3.378 0.000 A 83 ARG HGx H 1 1.317 0.004 A 83 ARG HGy H 1 1.690 0.000 A 83 ARG CA C 13 59.682 0.000 A 83 ARG CB C 13 29.429 0.101 A 83 ARG CD C 13 39.375 0.000 A 83 ARG CG C 13 29.200 0.000 A 84 LEU H H 1 8.215 0.020 A 84 LEU HA H 1 3.715 0.004 A 84 LEU HBx H 1 1.209 0.038 A 84 LEU HBy H 1 1.907 0.004 A 84 LEU HD1% H 1 0.756 0.003 A 84 LEU HD2% H 1 0.605 0.000 A 84 LEU HG H 1 1.252 0.001 A 84 LEU CA C 13 58.135 0.012 A 84 LEU CB C 13 41.274 0.016 A 84 LEU CDx C 13 24.785 0.059 A 84 LEU CDy C 13 25.473 0.020 A 84 LEU CG C 13 26.404 0.006 A 85 GLU H H 1 7.620 0.003 A 85 GLU HA H 1 3.720 0.020 A 85 GLU HBx H 1 1.780 0.000 A 85 GLU HBy H 1 1.883 0.000 A 85 GLU HGx H 1 1.998 0.004 A 85 GLU HGy H 1 2.290 0.000 A 85 GLU CA C 13 58.286 0.000 A 85 GLU CB C 13 28.528 0.002 A 85 GLU CG C 13 36.166 0.067 A 86 LEU H H 1 8.034 0.007 A 86 LEU HA H 1 3.663 0.003 A 86 LEU HBx H 1 1.308 0.011 A 86 LEU HBy H 1 1.308 0.011 A 86 LEU HD1% H 1 0.688 0.002 A 86 LEU HD2% H 1 0.566 0.011 A 86 LEU HG H 1 1.161 0.009 A 86 LEU CA C 13 57.238 0.012 A 86 LEU CB C 13 41.900 0.014 A 86 LEU CDx C 13 20.143 0.105 A 86 LEU CDy C 13 26.288 0.000 A 86 LEU CG C 13 26.115 0.167 A 87 ALA H H 1 8.166 0.000 A 87 ALA HA H 1 3.694 0.002 A 87 ALA HB% H 1 1.371 0.005 A 87 ALA CA C 13 54.700 0.000 A 87 ALA CB C 13 18.314 0.012 A 88 GLN H H 1 8.568 0.002 A 88 GLN HA H 1 3.731 0.003 A 88 GLN HBx H 1 1.701 0.000 A 88 GLN HBy H 1 1.955 0.000 A 88 GLN HE2y H 1 7.136 0.000 A 88 GLN HE2x H 1 5.322 0.000 A 88 GLN HGx H 1 2.068 0.004 A 88 GLN HGy H 1 2.388 0.000 A 88 GLN CA C 13 58.273 0.000 A 88 GLN CB C 13 28.090 0.011 A 88 GLN CG C 13 34.031 0.076 A 89 GLY H H 1 7.812 0.000 A 89 GLY HAx H 1 3.541 0.002 A 89 GLY HAy H 1 3.668 0.003 A 89 GLY CA C 13 45.466 0.012 A 90 ALA H H 1 7.135 0.001 A 90 ALA HA H 1 3.703 0.003 A 90 ALA HB% H 1 0.372 0.000 A 90 ALA CA C 13 52.478 0.001 A 90 ALA CB C 13 16.691 0.001 A 91 VAL H H 1 7.126 0.004 A 91 VAL HA H 1 3.766 0.011 A 91 VAL HB H 1 1.895 0.003 A 91 VAL HG1% H 1 0.812 0.000 A 91 VAL HG2% H 1 0.740 0.006 A 91 VAL CA C 13 62.858 0.012 A 91 VAL CB C 13 31.648 0.048 A 91 VAL CGy C 13 20.848 0.002 A 91 VAL CGx C 13 20.358 0.080 A 92 GLY H H 1 7.880 0.000 A 92 GLY HAx H 1 3.766 0.002 A 92 GLY HAy H 1 3.766 0.002 A 92 GLY CA C 13 44.736 0.014 A 93 SER H H 1 7.912 0.004 A 93 SER HA H 1 4.279 0.004 A 93 SER HBx H 1 3.670 0.001 A 93 SER HBy H 1 3.670 0.001 A 93 SER CA C 13 57.702 0.014 A 93 SER CB C 13 63.305 0.024 A 94 VAL H H 1 7.912 0.001 A 94 VAL HA H 1 3.956 0.003 A 94 VAL HB H 1 1.895 0.001 A 94 VAL HG1% H 1 0.735 0.000 A 94 VAL HG2% H 1 0.733 0.000 A 94 VAL CA C 13 61.657 0.017 A 94 VAL CB C 13 31.967 0.000 A 94 VAL CGx C 13 19.893 0.000 A 94 VAL CGy C 13 20.153 0.000 A 95 GLN H H 1 8.227 0.000 A 95 GLN HA H 1 4.144 0.002 A 95 GLN HBy H 1 1.818 0.000 A 95 GLN HBx H 1 1.724 0.000 A 95 GLN HE2y H 1 7.308 0.000 A 95 GLN HE2x H 1 6.691 0.000 A 95 GLN HGx H 1 2.117 0.000 A 95 GLN HGy H 1 2.117 0.000 A 95 GLN CA C 13 54.802 0.000 A 95 GLN CB C 13 28.880 0.020 A 95 GLN CG C 13 33.194 0.009 A 96 ILE H H 1 7.718 0.001 A 96 ILE HA H 1 4.113 0.010 A 96 ILE HB H 1 1.575 0.005 A 96 ILE HG12 H 1 0.633 0.002 A 96 ILE HG13 H 1 0.633 0.002 A 96 ILE HG2% H 1 0.670 0.001 A 96 ILE CA C 13 57.053 0.032 A 96 ILE CB C 13 40.083 0.013 A 96 ILE CG1 C 13 22.565 0.100 A 96 ILE CG2 C 13 16.529 0.013 A 97 PRO HA H 1 4.219 0.013 A 97 PRO HBx H 1 1.623 0.010 A 97 PRO HBy H 1 2.051 0.003 A 97 PRO HDx H 1 3.468 0.006 A 97 PRO HDy H 1 3.689 0.001 A 97 PRO HGx H 1 1.780 0.015 A 97 PRO HGy H 1 1.780 0.015 A 97 PRO CA C 13 62.447 0.030 A 97 PRO CB C 13 31.535 0.024 A 97 PRO CD C 13 50.452 0.040 A 97 PRO CG C 13 26.834 0.069 A 98 VAL H H 1 8.101 0.006 A 98 VAL HA H 1 3.870 0.006 A 98 VAL HB H 1 1.828 0.000 A 98 VAL CA C 13 61.853 0.000 A 98 VAL CB C 13 32.192 0.000 A 99 VAL H H 1 8.060 0.017 A 99 VAL HA H 1 3.849 0.002 A 99 VAL HB H 1 1.804 0.004 A 99 VAL HG1% H 1 0.746 0.000 A 99 VAL HG2% H 1 0.746 0.000 A 99 VAL CA C 13 61.812 0.041 A 99 VAL CB C 13 32.000 0.000 A 99 VAL CGy C 13 20.236 0.000 A 99 VAL CGx C 13 20.200 0.000 A 100 GLU H H 1 8.361 0.010 A 100 GLU HA H 1 4.136 0.002 A 100 GLU HBx H 1 1.672 0.003 A 100 GLU HBy H 1 1.809 0.012 A 100 GLU HGx H 1 2.026 0.021 A 100 GLU HGy H 1 2.026 0.021 A 100 GLU CA C 13 55.528 0.098 A 100 GLU CB C 13 29.797 0.057 A 100 GLU CG C 13 35.636 0.045 A 101 VAL H H 1 8.056 0.006 A 101 VAL HA H 1 3.872 0.000 A 101 VAL HB H 1 1.814 0.014 A 101 VAL HG1% H 1 0.689 0.000 A 101 VAL HG2% H 1 0.689 0.000 A 101 VAL CA C 13 61.631 0.000 A 101 VAL CB C 13 32.400 0.000 A 101 VAL CGx C 13 20.400 0.000 A 101 VAL CGy C 13 20.400 0.000 A 102 ASP H H 1 8.182 0.000 A 102 ASP HA H 1 4.355 0.010 A 102 ASP HBx H 1 2.333 0.005 A 102 ASP HBy H 1 2.438 0.003 A 102 ASP CA C 13 53.748 0.001 A 102 ASP CB C 13 40.455 0.007 A 103 GLU H H 1 8.059 0.017 A 103 GLU HA H 1 4.037 0.004 A 103 GLU HBx H 1 1.661 0.000 A 103 GLU HBy H 1 1.800 0.000 A 103 GLU HGx H 1 1.973 0.003 A 103 GLU HGy H 1 2.022 0.001 A 103 GLU CA C 13 55.437 0.000 A 103 GLU CB C 13 29.852 0.045 A 103 GLU CG C 13 35.589 0.057 A 104 LEU H H 1 8.093 0.001 A 104 LEU HA H 1 4.294 0.003 A 104 LEU HBy H 1 1.345 0.002 A 104 LEU HBx H 1 1.131 0.001 A 104 LEU HD1% H 1 0.589 0.000 A 104 LEU HD2% H 1 0.521 0.000 A 104 LEU HG H 1 1.355 0.002 A 104 LEU CA C 13 52.196 0.000 A 104 LEU CB C 13 40.990 0.037 A 104 LEU CDy C 13 24.625 0.000 A 104 LEU CDx C 13 22.526 0.000 A 104 LEU CG C 13 26.267 0.020 A 105 PRO HA H 1 4.174 0.009 A 105 PRO HBx H 1 1.659 0.003 A 105 PRO HBy H 1 2.043 0.003 A 105 PRO HDx H 1 3.226 0.001 A 105 PRO HDy H 1 3.515 0.005 A 105 PRO HGx H 1 1.740 0.004 A 105 PRO HGy H 1 1.740 0.004 A 105 PRO CA C 13 62.294 0.020 A 105 PRO CB C 13 31.442 0.026 A 105 PRO CD C 13 49.796 0.041 A 105 PRO CG C 13 26.806 0.014 A 106 GLU H H 1 8.400 0.003 A 106 GLU HA H 1 3.959 0.006 A 106 GLU HBx H 1 1.764 0.003 A 106 GLU HBy H 1 1.764 0.003 A 106 GLU HGx H 1 2.052 0.012 A 106 GLU HGy H 1 2.052 0.012 A 106 GLU CA C 13 56.725 0.027 A 106 GLU CB C 13 29.294 0.037 A 106 GLU CG C 13 35.570 0.069 A 107 GLY HAx H 1 3.623 0.002 A 107 GLY HAy H 1 3.770 0.003 A 107 GLY CA C 13 44.648 0.013 A 108 TYR H H 1 7.696 0.006 A 108 TYR HA H 1 4.193 0.006 A 108 TYR HBx H 1 2.780 0.011 A 108 TYR HBy H 1 2.780 0.011 A 108 TYR HDx H 1 6.861 0.006 A 108 TYR HDy H 1 6.861 0.006 A 108 TYR HEx H 1 6.598 0.004 A 108 TYR HEy H 1 6.598 0.004 A 108 TYR CA C 13 57.802 0.023 A 108 TYR CB C 13 38.204 0.015 A 109 ASP H H 1 8.168 0.020 A 109 ASP HA H 1 4.312 0.001 A 109 ASP HBx H 1 2.341 0.011 A 109 ASP HBy H 1 2.429 0.007 A 109 ASP CA C 13 53.112 0.027 A 109 ASP CB C 13 40.552 0.006 A 110 ARG H H 1 8.164 0.003 A 110 ARG HA H 1 4.015 0.002 A 110 ARG HBx H 1 1.552 0.003 A 110 ARG HBy H 1 1.705 0.001 A 110 ARG HDx H 1 2.973 0.000 A 110 ARG HDy H 1 2.973 0.000 A 110 ARG HGx H 1 1.432 0.000 A 110 ARG HGy H 1 1.432 0.000 A 110 ARG CA C 13 56.033 0.000 A 110 ARG CB C 13 29.558 0.055 A 110 ARG CD C 13 42.710 0.000 A 110 ARG CG C 13 26.565 0.000 A 111 SER H H 1 8.214 0.000 A 111 SER HA H 1 4.126 0.000 A 111 SER HBx H 1 3.696 0.005 A 111 SER HBy H 1 3.696 0.005 A 111 SER CA C 13 58.672 0.000 A 111 SER CB C 13 63.052 0.048 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 99 VAL H A 100 GLU H 1.0 . 3.17 2 2 A 100 GLU H A 100 GLU HGx 1.0 . 3.38 3 2 A 100 GLU H A 100 GLU HGy 1.0 . 3.38 4 3 A 100 GLU H A 100 GLU HBy 1.0 . 2.98 5 4 A 99 VAL H A 97 PRO HA 1.0 . 5.22 6 5 A 103 GLU HBx A 104 LEU H 1.0 . 2.92 7 6 A 104 LEU H A 105 PRO HDx 1.0 . 5.07 8 7 A 104 LEU H A 104 LEU HD2% 1.0 . 4.04 9 8 A 104 LEU H A 103 GLU HA 1.0 . 2.62 10 9 A 17 GLN HBx A 19 LEU H 1.0 . 4.75 11 10 A 19 LEU H A 19 LEU HBy 1.0 . 3.53 12 11 A 19 LEU H A 19 LEU HG 1.0 . 3.90 13 12 A 19 LEU H A 19 LEU HD2% 1.0 . 3.78 14 13 A 76 ILE H A 77 ARG H 1.0 . 3.57 15 14 A 77 ARG H A 68 THR HB 1.0 . 4.33 16 15 A 77 ARG H A 77 ARG HDx 1.0 . 4.68 17 15 A 77 ARG H A 77 ARG HDy 1.0 . 4.68 18 16 A 77 ARG H A 77 ARG HBx 1.0 . 3.47 19 17 A 77 ARG H A 77 ARG HGy 1.0 . 4.30 20 18 A 77 ARG H A 77 ARG HGx 1.0 . 5.44 21 19 A 94 VAL H A 95 GLN H 1.0 . 3.80 22 20 A 95 GLN H A 94 VAL HA 1.0 . 2.73 23 21 A 95 GLN H A 95 GLN HGx 1.0 . 3.65 24 21 A 95 GLN H A 95 GLN HGy 1.0 . 3.65 25 22 A 95 GLN H A 95 GLN HBx 1.0 . 3.18 26 23 A 95 GLN H A 94 VAL HG2% 1.0 . 3.63 27 24 A 95 GLN H A 95 GLN HE2y 1.0 . 5.23 28 25 A 101 VAL HA A 102 ASP H 1.0 . 2.59 29 26 A 102 ASP H A 102 ASP HBx 1.0 . 3.16 30 27 A 102 ASP H A 101 VAL HG1% 1.0 . 3.52 31 27 A 102 ASP H A 101 VAL HG2% 1.0 . 3.52 32 28 A 110 ARG H A 110 ARG HBy 1.0 . 3.81 33 29 A 110 ARG H A 109 ASP HA 1.0 . 2.93 34 30 A 110 ARG H A 110 ARG HDx 1.0 . 5.35 35 30 A 110 ARG H A 110 ARG HDy 1.0 . 5.35 36 31 A 14 LEU H A 14 LEU HBy 1.0 . 3.36 37 32 A 14 LEU H A 14 LEU HBx 1.0 . 3.76 38 33 A 14 LEU H A 14 LEU HD1% 1.0 . 3.78 39 34 A 74 VAL HB A 75 ALA H 1.0 . 4.01 40 35 A 75 ALA H A 75 ALA HB% 1.0 . 3.46 41 36 A 75 ALA H A 74 VAL HG2% 1.0 . 3.95 42 37 A 71 ALA H A 72 GLU HA 1.0 . 5.33 43 38 A 83 ARG HBy A 84 LEU H 1.0 . 4.05 44 39 A 84 LEU H A 84 LEU HD1% 1.0 . 4.47 45 40 A 19 LEU HD2% A 23 ALA H 1.0 . 4.00 46 41 A 84 LEU H A 85 GLU HGy 1.0 . 5.20 47 42 A 23 ALA H A 23 ALA HB% 1.0 . 3.34 48 43 A 108 TYR HD% A 109 ASP H 1.0 . 4.29 49 44 A 109 ASP H A 108 TYR HE% 1.0 . 5.37 50 45 A 109 ASP H A 108 TYR HA 1.0 . 2.80 51 46 A 109 ASP H A 108 TYR HBx 1.0 . 3.31 52 46 A 109 ASP H A 108 TYR HBy 1.0 . 3.31 53 47 A 109 ASP H A 109 ASP HBx 1.0 . 3.05 54 48 A 86 LEU H A 87 ALA H 1.0 . 4.19 55 49 A 86 LEU H A 85 GLU H 1.0 . 3.56 56 50 A 86 LEU H A 83 ARG HDx 1.0 . 5.05 57 50 A 86 LEU H A 83 ARG HDy 1.0 . 5.05 58 51 A 86 LEU H A 85 GLU HBx 1.0 . 3.65 59 52 A 86 LEU H A 86 LEU HBx 1.0 . 3.17 60 52 A 86 LEU H A 86 LEU HBy 1.0 . 3.17 61 53 A 86 LEU H A 86 LEU HD2% 1.0 . 3.98 62 54 A 79 LYS H A 80 LEU H 1.0 . 3.45 63 55 A 79 LYS H A 78 SER H 1.0 . 3.62 64 56 A 79 LYS H A 78 SER HBx 1.0 . 3.33 65 56 A 79 LYS H A 78 SER HBy 1.0 . 3.33 66 57 A 79 LYS H A 79 LYS HEx 1.0 . 5.06 67 57 A 79 LYS H A 79 LYS HEy 1.0 . 5.06 68 58 A 79 LYS H A 79 LYS HBy 1.0 . 3.50 69 59 A 89 GLY H A 90 ALA H 1.0 . 3.26 70 60 A 90 ALA H A 87 ALA HB% 1.0 . 4.84 71 61 A 90 ALA H A 91 VAL HG2% 1.0 . 5.32 72 62 A 57 ALA H A 59 GLN H 1.0 . 5.08 73 63 A 57 ALA H A 54 TYR HBx 1.0 . 5.40 74 64 A 49 ILE HA A 53 GLU H 1.0 . 5.16 75 65 A 53 GLU H A 53 GLU HBy 1.0 . 4.03 76 66 A 53 GLU H A 53 GLU HBx 1.0 . 3.95 77 67 A 53 GLU H A 48 LEU HD1% 1.0 . 4.33 78 68 A 87 ALA H A 88 GLN H 1.0 . 3.59 79 69 A 87 ALA H A 87 ALA HB% 1.0 . 3.16 80 70 A 87 ALA H A 86 LEU HD2% 1.0 . 4.50 81 71 A 21 ARG H A 22 GLU H 1.0 . 3.63 82 72 A 23 ALA H A 22 GLU H 1.0 . 3.55 83 73 A 19 LEU HD2% A 22 GLU H 1.0 . 4.17 84 74 A 55 THR HB A 56 GLN H 1.0 . 3.19 85 75 A 56 GLN H A 56 GLN HGy 1.0 . 3.83 86 76 A 56 GLN H A 56 GLN HBx 1.0 . 3.36 87 77 A 48 LEU HD1% A 56 GLN H 1.0 . 5.48 88 78 A 56 GLN H A 48 LEU HD2% 1.0 . 4.72 89 79 A 97 PRO HA A 98 VAL H 1.0 . 2.40 90 80 A 98 VAL H A 97 PRO HBx 1.0 . 3.55 91 81 A 98 VAL H A 99 VAL HG2% 1.0 . 3.08 92 82 A 105 PRO HDy A 106 GLU H 1.0 . 4.54 93 83 A 106 GLU H A 105 PRO HGx 1.0 . 4.04 94 83 A 106 GLU H A 105 PRO HGy 1.0 . 4.04 95 84 A 106 GLU H A 104 LEU HG 1.0 . 4.95 96 85 A 16 LYS H A 17 GLN H 1.0 . 3.69 97 86 A 16 LYS H A 15 PHE HD% 1.0 . 4.07 98 87 A 16 LYS H A 16 LYS HBx 1.0 . 3.08 99 87 A 16 LYS H A 16 LYS HBy 1.0 . 3.08 100 88 A 10 GLN H A 10 GLN HGy 1.0 . 3.52 101 88 A 10 GLN H A 10 GLN HGx 1.0 . 3.52 102 89 A 10 GLN H A 10 GLN HBx 1.0 . 2.87 103 89 A 10 GLN H A 10 GLN HBy 1.0 . 2.87 104 90 A 28 ASP HA A 31 ILE H 1.0 . 4.53 105 91 A 31 ILE H A 30 LEU HBy 1.0 . 5.11 106 92 A 31 ILE H A 31 ILE HG1y 1.0 . 4.99 107 93 A 16 LYS H A 15 PHE H 1.0 . 3.75 108 94 A 14 LEU H A 15 PHE H 1.0 . 3.89 109 95 A 15 PHE HD% A 15 PHE H 1.0 . 4.51 110 96 A 15 PHE H A 15 PHE HBx 1.0 . 3.69 111 97 A 14 LEU HBy A 15 PHE H 1.0 . 4.06 112 98 A 15 PHE H A 14 LEU HD1% 1.0 . 4.61 113 99 A 80 LEU H A 61 CYS HBy 1.0 . 5.42 114 100 A 80 LEU H A 80 LEU HBy 1.0 . 3.97 115 101 A 80 LEU H A 80 LEU HG 1.0 . 4.80 116 102 A 80 LEU H A 80 LEU HD1% 1.0 . 4.36 117 103 A 47 ALA H A 49 ILE H 1.0 . 5.21 118 104 A 49 ILE H A 57 ALA HB% 1.0 . 4.46 119 105 A 49 ILE H A 49 ILE HG1x 1.0 . 4.18 120 106 A 4 PHE H A 4 PHE HD% 1.0 . 4.66 121 107 A 4 PHE H A 4 PHE HBy 1.0 . 4.20 122 108 A 4 PHE H A 4 PHE HBx 1.0 . 4.20 123 109 A 100 GLU HA A 101 VAL H 1.0 . 2.51 124 110 A 101 VAL H A 101 VAL HB 1.0 . 2.90 125 111 A 101 VAL H A 101 VAL HG1% 1.0 . 3.07 126 111 A 101 VAL HG2% A 101 VAL H 1.0 . 3.07 127 112 A 102 ASP HA A 103 GLU H 1.0 . 2.75 128 113 A 103 GLU H A 103 GLU HGx 1.0 . 3.53 129 114 A 103 GLU HBx A 103 GLU H 1.0 . 3.21 130 115 A 94 VAL H A 93 SER HA 1.0 . 2.79 131 116 A 94 VAL H A 93 SER HBx 1.0 . 3.22 132 116 A 94 VAL H A 93 SER HBy 1.0 . 3.22 133 117 A 94 VAL H A 94 VAL HB 1.0 . 3.17 134 118 A 94 VAL H A 94 VAL HG1% 1.0 . 3.15 135 119 A 33 ALA H A 34 GLN H 1.0 . 3.57 136 120 A 33 ALA H A 32 THR H 1.0 . 3.49 137 121 A 33 ALA H A 32 THR HB 1.0 . 3.22 138 122 A 27 TYR H A 28 ASP H 1.0 . 3.53 139 123 A 28 ASP H A 29 GLN H 1.0 . 3.38 140 124 A 28 ASP H A 28 ASP HBy 1.0 . 3.19 141 125 A 28 ASP H A 24 VAL HG2% 1.0 . 4.78 142 126 A 104 LEU HBx A 108 TYR H 1.0 . 4.99 143 127 A 108 TYR H A 107 GLY H 1.0 . 3.63 144 128 A 108 TYR HD% A 108 TYR H 1.0 . 3.74 145 129 A 47 ALA H A 48 LEU H 1.0 . 3.50 146 130 A 47 ALA H A 46 MET HBy 1.0 . 3.69 147 131 A 47 ALA H A 24 VAL HG1% 1.0 . 5.50 148 132 A 21 ARG H A 20 TYR HD% 1.0 . 4.63 149 133 A 21 ARG H A 20 TYR HBx 1.0 . 4.51 150 134 A 21 ARG H A 51 LEU HD2% 1.0 . 4.49 151 135 A 12 ASN H A 12 ASN HD2y 1.0 . 5.27 152 136 A 12 ASN H A 11 GLY H 1.0 . 3.39 153 137 A 12 ASN H A 12 ASN HD2x 1.0 . 4.59 154 138 A 12 ASN H A 27 TYR HE% 1.0 . 4.52 155 139 A 12 ASN H A 9 GLU HA 1.0 . 3.59 156 140 A 12 ASN H A 12 ASN HBx 1.0 . 4.07 157 141 A 12 ASN H A 9 GLU HBx 1.0 . 4.78 158 141 A 12 ASN H A 9 GLU HBy 1.0 . 4.78 159 142 A 7 GLN H A 7 GLN HE2x 1.0 . 5.40 160 143 A 7 GLN H A 7 GLN HGx 1.0 . 3.54 161 143 A 7 GLN H A 7 GLN HGy 1.0 . 3.54 162 144 A 7 GLN H A 7 GLN HBx 1.0 . 3.26 163 145 A 7 GLN H A 30 LEU HD1% 1.0 . 4.67 164 146 A 27 TYR HD% A 44 LYS H 1.0 . 4.94 165 147 A 44 LYS H A 27 TYR HBx 1.0 . 4.87 166 148 A 81 GLN HBx A 82 TYR H 1.0 . 3.94 167 149 A 82 TYR H A 81 GLN H 1.0 . 4.15 168 150 A 82 TYR H A 82 TYR HD% 1.0 . 4.07 169 151 A 82 TYR H A 82 TYR HBy 1.0 . 3.55 170 152 A 82 TYR H A 82 TYR HBx 1.0 . 3.56 171 153 A 108 TYR H A 105 PRO HGx 1.0 . 4.49 172 153 A 105 PRO HGy A 108 TYR H 1.0 . 4.49 173 154 A 37 ASN H A 37 ASN HBx 1.0 . 3.83 174 155 A 47 ALA H A 27 TYR HE% 1.0 . 5.05 175 156 A 23 ALA H A 21 ARG H 1.0 . 4.87 176 157 A 27 TYR H A 27 TYR HBy 1.0 . 4.13 177 158 A 27 TYR H A 27 TYR HBx 1.0 . 3.57 178 159 A 57 ALA HB% A 58 ILE H 1.0 . 3.99 179 160 A 76 ILE H A 75 ALA H 1.0 . 3.39 180 161 A 76 ILE H A 76 ILE HG2% 1.0 . 3.75 181 162 A 44 LYS H A 27 TYR HBy 1.0 . 4.70 182 163 A 44 LYS H A 44 LYS HBx 1.0 . 3.53 183 164 A 44 LYS H A 31 ILE HD1% 1.0 . 4.52 184 165 A 44 LYS H A 46 MET H 1.0 . 4.71 185 166 A 7 GLN H A 6 LYS H 1.0 . 3.36 186 167 A 6 LYS H A 6 LYS HGx 1.0 . 4.59 187 168 A 27 TYR H A 26 CYS H 1.0 . 3.39 188 169 A 27 TYR H A 26 CYS HBx 1.0 . 4.04 189 170 A 27 TYR H A 30 LEU HD2% 1.0 . 5.50 190 171 A 82 TYR H A 83 ARG H 1.0 . 4.69 191 172 A 76 ILE H A 76 ILE HB 1.0 . 3.42 192 173 A 28 ASP H A 30 LEU H 1.0 . 4.58 193 174 A 30 LEU H A 27 TYR HA 1.0 . 3.95 194 175 A 30 LEU H A 30 LEU HG 1.0 . 3.88 195 176 A 30 LEU HD1% A 30 LEU H 1.0 . 4.25 196 177 A 75 ALA H A 74 VAL H 1.0 . 3.77 197 178 A 74 VAL H A 73 HIS H 1.0 . 3.57 198 179 A 74 VAL HB A 74 VAL H 1.0 . 3.03 199 180 A 75 ALA HB% A 74 VAL H 1.0 . 4.72 200 181 A 74 VAL H A 74 VAL HG1% 1.0 . 3.18 201 182 A 82 TYR HD% A 83 ARG H 1.0 . 4.50 202 183 A 83 ARG H A 83 ARG HDx 1.0 . 4.84 203 183 A 83 ARG HDy A 83 ARG H 1.0 . 4.84 204 184 A 83 ARG H A 79 LYS HEx 1.0 . 5.08 205 184 A 79 LYS HEy A 83 ARG H 1.0 . 5.08 206 185 A 86 LEU HD2% A 83 ARG H 1.0 . 5.50 207 186 A 49 ILE H A 50 LYS H 1.0 . 3.96 208 187 A 50 LYS H A 52 GLY H 1.0 . 4.64 209 188 A 50 LYS H A 47 ALA HA 1.0 . 4.07 210 189 A 50 LYS H A 50 LYS HEx 1.0 . 5.45 211 189 A 50 LYS H A 50 LYS HEy 1.0 . 5.45 212 190 A 50 LYS H A 49 ILE HD1% 1.0 . 3.85 213 191 A 50 LYS H A 50 LYS HBx 1.0 . 3.99 214 192 A 91 VAL HG2% A 54 TYR H 1.0 . 5.50 215 193 A 39 VAL H A 40 GLY H 1.0 . 3.71 216 194 A 39 VAL H A 38 PRO HDy 1.0 . 4.62 217 195 A 39 VAL H A 39 VAL HB 1.0 . 3.14 218 196 A 39 VAL H A 39 VAL HG1% 1.0 . 3.57 219 197 A 39 VAL H A 39 VAL HG2% 1.0 . 3.79 220 198 A 39 VAL H A 37 ASN HA 1.0 . 4.57 221 199 A 80 LEU HBy A 65 LEU H 1.0 . 4.70 222 200 A 65 LEU H A 65 LEU HBy 1.0 . 3.56 223 201 A 65 LEU H A 65 LEU HD1% 1.0 . 4.11 224 202 A 65 LEU H A 62 GLN HA 1.0 . 4.59 225 203 A 56 GLN H A 54 TYR H 1.0 . 4.47 226 204 A 53 GLU H A 54 TYR H 1.0 . 3.93 227 205 A 54 TYR H A 53 GLU HA 1.0 . 3.09 228 206 A 54 TYR H A 54 TYR HBy 1.0 . 3.63 229 207 A 54 TYR HBx A 54 TYR H 1.0 . 3.50 230 208 A 57 ALA HB% A 54 TYR H 1.0 . 4.41 231 209 A 44 LYS H A 45 ALA H 1.0 . 3.46 232 210 A 44 LYS HBx A 45 ALA H 1.0 . 3.54 233 211 A 39 VAL H A 41 TYR H 1.0 . 4.67 234 212 A 84 LEU HD1% A 85 GLU H 1.0 . 5.01 235 213 A 65 LEU H A 66 ARG H 1.0 . 3.57 236 214 A 66 ARG H A 67 TYR HA 1.0 . 5.30 237 215 A 66 ARG H A 64 GLY HAx 1.0 . 5.15 238 215 A 66 ARG H A 64 GLY HAy 1.0 . 5.15 239 216 A 66 ARG H A 66 ARG HDx 1.0 . 4.97 240 217 A 66 ARG H A 66 ARG HGx 1.0 . 3.39 241 218 A 66 ARG H A 66 ARG HBx 1.0 . 3.34 242 219 A 61 CYS HBy A 61 CYS H 1.0 . 3.99 243 220 A 81 GLN H A 81 GLN HBy 1.0 . 3.35 244 221 A 81 GLN H A 80 LEU HD2% 1.0 . 4.84 245 222 A 61 CYS H A 61 CYS HBx 1.0 . 3.40 246 223 A 81 GLN H A 65 LEU HD1% 1.0 . 5.00 247 224 A 8 LYS HBx A 9 GLU H 1.0 . 4.27 248 225 A 45 ALA H A 43 ASN H 1.0 . 5.00 249 226 A 43 ASN H A 43 ASN HBy 1.0 . 3.68 250 227 A 85 GLU H A 84 LEU HD2% 1.0 . 4.70 251 228 A 84 LEU H A 85 GLU H 1.0 . 3.54 252 229 A 21 ARG H A 20 TYR H 1.0 . 3.65 253 230 A 19 LEU H A 20 TYR H 1.0 . 4.09 254 231 A 20 TYR H A 20 TYR HE% 1.0 . 5.05 255 232 A 20 TYR H A 19 LEU HA 1.0 . 3.15 256 233 A 20 TYR H A 20 TYR HBy 1.0 . 3.97 257 234 A 20 TYR HBx A 20 TYR H 1.0 . 3.86 258 235 A 19 LEU HBy A 20 TYR H 1.0 . 4.87 259 236 A 20 TYR HD% A 20 TYR H 1.0 . 3.91 260 237 A 13 SER H A 13 SER HBx 1.0 . 3.06 261 237 A 13 SER H A 13 SER HBy 1.0 . 3.06 262 238 A 13 SER H A 12 ASN HBy 1.0 . 4.02 263 239 A 14 LEU H A 13 SER H 1.0 . 3.41 264 240 A 43 ASN H A 43 ASN HBx 1.0 . 3.86 265 241 A 20 TYR H A 21 ARG HBx 1.0 . 5.17 266 242 A 12 ASN HBx A 13 SER H 1.0 . 4.17 267 243 A 13 SER H A 11 GLY HAy 1.0 . 4.51 268 244 A 23 ALA HB% A 24 VAL H 1.0 . 4.30 269 245 A 59 GLN H A 58 ILE H 1.0 . 3.71 270 246 A 26 CYS H A 24 VAL H 1.0 . 4.14 271 247 A 59 GLN H A 58 ILE HG2% 1.0 . 3.94 272 248 A 26 CYS H A 25 HIS HBy 1.0 . 3.86 273 249 A 29 GLN H A 28 ASP HBy 1.0 . 3.89 274 250 A 52 GLY H A 51 LEU H 1.0 . 3.63 275 251 A 41 TYR H A 41 TYR HD% 1.0 . 4.23 276 252 A 41 TYR H A 31 ILE HG1x 1.0 . 5.22 277 253 A 49 ILE HA A 48 LEU H 1.0 . 5.50 278 254 A 48 LEU H A 47 ALA HB% 1.0 . 3.68 279 255 A 48 LEU HD2% A 48 LEU H 1.0 . 4.23 280 256 A 62 GLN H A 63 GLN H 1.0 . 4.05 281 257 A 62 GLN H A 62 GLN HE2x 1.0 . 5.18 282 258 A 61 CYS HBx A 62 GLN H 1.0 . 3.59 283 259 A 62 GLN H A 62 GLN HGx 1.0 . 3.49 284 260 A 62 GLN H A 62 GLN HBx 1.0 . 3.82 285 261 A 84 LEU HD2% A 62 GLN H 1.0 . 4.58 286 262 A 59 GLN H A 60 MET H 1.0 . 3.75 287 263 A 60 MET H A 57 ALA HA 1.0 . 4.16 288 264 A 60 MET H A 60 MET HGy 1.0 . 4.46 289 265 A 60 MET H A 60 MET HBy 1.0 . 3.72 290 266 A 60 MET H A 60 MET HBx 1.0 . 3.28 291 267 A 60 MET H A 45 ALA HB% 1.0 . 5.16 292 268 A 48 LEU HD2% A 60 MET H 1.0 . 4.66 293 269 A 4 PHE HD% A 5 GLU H 1.0 . 4.07 294 270 A 4 PHE HBy A 5 GLU H 1.0 . 3.86 295 271 A 4 PHE HBx A 5 GLU H 1.0 . 3.78 296 272 A 5 GLU H A 5 GLU HGx 1.0 . 3.44 297 272 A 5 GLU H A 5 GLU HGy 1.0 . 3.44 298 273 A 24 VAL H A 25 HIS H 1.0 . 3.66 299 274 A 25 HIS HBy A 25 HIS H 1.0 . 3.03 300 275 A 111 SER H A 111 SER HBx 1.0 . 3.54 301 275 A 111 SER H A 111 SER HBy 1.0 . 3.54 302 276 A 73 HIS H A 72 GLU H 1.0 . 4.06 303 277 A 73 HIS H A 72 GLU HBy 1.0 . 4.31 304 278 A 67 TYR H A 67 TYR HD% 1.0 . 3.76 305 279 A 67 TYR H A 68 THR HA 1.0 . 4.74 306 280 A 67 TYR H A 67 TYR HBy 1.0 . 3.88 307 281 A 66 ARG HBx A 67 TYR H 1.0 . 3.77 308 282 A 67 TYR H A 66 ARG HBy 1.0 . 4.48 309 283 A 91 VAL H A 92 GLY H 1.0 . 3.34 310 284 A 91 VAL H A 54 TYR HD% 1.0 . 5.09 311 285 A 91 VAL H A 91 VAL HA 1.0 . 2.93 312 286 A 91 VAL H A 91 VAL HB 1.0 . 3.13 313 287 A 91 VAL HG2% A 91 VAL H 1.0 . 3.24 314 288 A 91 VAL H A 90 ALA HB% 1.0 . 3.69 315 289 A 90 ALA H A 88 GLN H 1.0 . 4.41 316 290 A 88 GLN H A 88 GLN HGy 1.0 . 3.89 317 291 A 88 GLN H A 88 GLN HBy 1.0 . 3.46 318 292 A 91 VAL H A 93 SER H 1.0 . 5.20 319 293 A 93 SER H A 93 SER HBx 1.0 . 3.14 320 293 A 93 SER HBy A 93 SER H 1.0 . 3.14 321 294 A 46 MET H A 45 ALA H 1.0 . 3.64 322 295 A 47 ALA H A 46 MET H 1.0 . 3.71 323 296 A 46 MET HBy A 46 MET H 1.0 . 3.49 324 297 A 46 MET H A 46 MET HBx 1.0 . 3.45 325 298 A 17 GLN H A 14 LEU HA 1.0 . 3.70 326 299 A 17 GLN HBx A 17 GLN H 1.0 . 3.34 327 300 A 17 GLN H A 18 GLY H 1.0 . 3.56 328 301 A 17 GLN H A 17 GLN HGy 1.0 . 3.75 329 302 A 34 GLN H A 36 GLN H 1.0 . 5.15 330 303 A 37 ASN H A 36 GLN H 1.0 . 3.30 331 304 A 36 GLN H A 35 PRO HDy 1.0 . 4.22 332 305 A 37 ASN HBx A 36 GLN H 1.0 . 4.79 333 306 A 36 GLN H A 36 GLN HGx 1.0 . 3.38 334 306 A 36 GLN H A 36 GLN HGy 1.0 . 3.38 335 307 A 36 GLN H A 36 GLN HBx 1.0 . 3.72 336 308 A 56 GLN H A 55 THR H 1.0 . 3.46 337 309 A 54 TYR H A 55 THR H 1.0 . 3.33 338 310 A 55 THR HB A 55 THR H 1.0 . 3.24 339 311 A 54 TYR HBy A 55 THR H 1.0 . 3.97 340 312 A 54 TYR HBx A 55 THR H 1.0 . 3.94 341 313 A 55 THR H A 55 THR HG2% 1.0 . 3.93 342 314 A 36 GLN H A 34 GLN HA 1.0 . 4.21 343 315 A 34 GLN H A 30 LEU HA 1.0 . 4.20 344 316 A 55 THR H A 58 ILE HD1% 1.0 . 4.80 345 317 A 37 ASN HD2y A 36 GLN HGx 1.0 . 4.55 346 317 A 36 GLN HGy A 37 ASN HD2y 1.0 . 4.55 347 318 A 60 MET HE% A 63 GLN HE2x 1.0 . 5.04 348 319 A 37 ASN HD2x A 36 GLN HGx 1.0 . 5.03 349 319 A 36 GLN HGy A 37 ASN HD2x 1.0 . 5.03 350 320 A 37 ASN HD2y A 36 GLN HBy 1.0 . 5.50 351 321 A 29 GLN H A 29 GLN HE2y 1.0 . 4.08 352 322 A 77 ARG H A 78 SER H 1.0 . 3.46 353 323 A 78 SER H A 78 SER HBx 1.0 . 3.05 354 323 A 78 SER H A 78 SER HBy 1.0 . 3.05 355 324 A 75 ALA HB% A 78 SER H 1.0 . 4.50 356 325 A 78 SER H A 76 ILE HG2% 1.0 . 4.73 357 326 A 14 LEU HBy A 17 GLN HE2y 1.0 . 5.13 358 327 A 31 ILE H A 32 THR H 1.0 . 3.99 359 328 A 32 THR H A 32 THR HB 1.0 . 3.05 360 329 A 32 THR H A 31 ILE HB 1.0 . 3.38 361 330 A 32 THR H A 32 THR HG2% 1.0 . 3.84 362 331 A 32 THR H A 31 ILE HG2% 1.0 . 3.91 363 332 A 95 GLN H A 95 GLN HE2x 1.0 . 4.60 364 333 A 34 GLN HBx A 36 GLN HE2y 1.0 . 4.11 365 334 A 81 GLN HA A 81 GLN HE2y 1.0 . 4.90 366 335 A 69 SER H A 70 THR H 1.0 . 4.84 367 336 A 70 THR H A 70 THR HG2% 1.0 . 3.80 368 337 A 81 GLN HGy A 81 GLN HE2x 1.0 . 3.72 369 338 A 84 LEU HD1% A 81 GLN HE2x 1.0 . 5.21 370 339 A 95 GLN HE2x A 93 SER HBx 1.0 . 5.09 371 339 A 93 SER HBy A 95 GLN HE2x 1.0 . 5.09 372 340 A 36 GLN HE2x A 36 GLN HGx 1.0 . 3.94 373 340 A 36 GLN HGy A 36 GLN HE2x 1.0 . 3.94 374 341 A 94 VAL H A 95 GLN HE2y 1.0 . 4.51 375 342 A 81 GLN HE2y A 85 GLU HA 1.0 . 5.07 376 343 A 81 GLN HE2y A 81 GLN HGy 1.0 . 3.79 377 344 A 81 GLN HE2y A 84 LEU HG 1.0 . 5.37 378 345 A 84 LEU HD1% A 81 GLN HE2y 1.0 . 5.34 379 346 A 84 LEU HD2% A 81 GLN HE2y 1.0 . 4.86 380 347 A 34 GLN HBy A 34 GLN HE2y 1.0 . 4.60 381 348 A 56 GLN H A 56 GLN HE2y 1.0 . 5.35 382 349 A 31 ILE HD1% A 42 SER H 1.0 . 5.50 383 350 A 41 TYR H A 42 SER H 1.0 . 4.02 384 351 A 42 SER H A 41 TYR HBx 1.0 . 4.32 385 352 A 80 LEU HD1% A 42 SER H 1.0 . 4.26 386 353 A 56 GLN HGy A 56 GLN HE2x 1.0 . 3.89 387 354 A 56 GLN HBx A 56 GLN HE2x 1.0 . 5.09 388 355 A 48 LEU HD1% A 56 GLN HE2x 1.0 . 5.09 389 356 A 55 THR HB A 56 GLN HE2y 1.0 . 5.09 390 357 A 56 GLN HBx A 56 GLN HE2y 1.0 . 4.85 391 358 A 108 TYR HD% A 107 GLY H 1.0 . 5.12 392 359 A 107 GLY H A 106 GLU HA 1.0 . 3.02 393 360 A 107 GLY H A 106 GLU HGx 1.0 . 5.04 394 360 A 107 GLY H A 106 GLU HGy 1.0 . 5.04 395 361 A 107 GLY H A 105 PRO HGx 1.0 . 4.08 396 361 A 105 PRO HGy A 107 GLY H 1.0 . 4.08 397 362 A 10 GLN HE2x A 10 GLN HGy 1.0 . 3.75 398 362 A 10 GLN HGx A 10 GLN HE2x 1.0 . 3.75 399 363 A 10 GLN HE2y A 10 GLN HGy 1.0 . 4.05 400 363 A 10 GLN HGx A 10 GLN HE2y 1.0 . 4.05 401 364 A 92 GLY H A 92 GLY HAx 1.0 . 2.73 402 364 A 92 GLY H A 92 GLY HAy 1.0 . 2.73 403 365 A 92 GLY H A 91 VAL HB 1.0 . 3.97 404 366 A 91 VAL HG2% A 92 GLY H 1.0 . 3.84 405 367 A 12 ASN HD2x A 13 SER HBx 1.0 . 4.89 406 367 A 12 ASN HD2x A 13 SER HBy 1.0 . 4.89 407 368 A 62 GLN HE2x A 62 GLN HGy 1.0 . 3.77 408 369 A 62 GLN HE2x A 62 GLN HGx 1.0 . 3.51 409 370 A 84 LEU HD2% A 62 GLN HE2x 1.0 . 3.76 410 371 A 62 GLN HE2x A 84 LEU HG 1.0 . 4.81 411 372 A 62 GLN H A 62 GLN HE2y 1.0 . 5.44 412 373 A 62 GLN HE2y A 59 GLN HA 1.0 . 4.81 413 374 A 62 GLN HGy A 62 GLN HE2y 1.0 . 4.04 414 375 A 62 GLN HGx A 62 GLN HE2y 1.0 . 3.82 415 376 A 7 GLN HE2x A 7 GLN HA 1.0 . 4.25 416 377 A 7 GLN HE2x A 7 GLN HGx 1.0 . 3.86 417 377 A 7 GLN HE2x A 7 GLN HGy 1.0 . 3.86 418 378 A 7 GLN HE2y A 26 CYS HBy 1.0 . 4.84 419 379 A 7 GLN HE2y A 7 GLN HGx 1.0 . 3.91 420 379 A 7 GLN HGy A 7 GLN HE2y 1.0 . 3.91 421 380 A 7 GLN HE2x A 8 LYS H 1.0 . 4.89 422 381 A 7 GLN HE2x A 29 GLN HE2y 1.0 . 4.57 423 382 A 52 GLY H A 49 ILE HB 1.0 . 5.13 424 383 A 51 LEU HD2% A 52 GLY H 1.0 . 5.50 425 384 A 10 GLN H A 11 GLY H 1.0 . 3.83 426 385 A 11 GLY H A 27 TYR HE% 1.0 . 4.79 427 386 A 11 GLY H A 10 GLN HBx 1.0 . 3.49 428 386 A 10 GLN HBy A 11 GLY H 1.0 . 3.49 429 387 A 20 TYR HE% A 18 GLY H 1.0 . 4.70 430 388 A 17 GLN HBx A 18 GLY H 1.0 . 4.42 431 389 A 19 LEU HBy A 18 GLY H 1.0 . 5.29 432 390 A 19 LEU HD2% A 18 GLY H 1.0 . 4.81 433 391 A 16 LYS H A 18 GLY H 1.0 . 4.67 434 392 A 89 GLY H A 88 GLN HBy 1.0 . 4.37 435 393 A 89 GLY H A 88 GLN H 1.0 . 3.60 436 394 A 89 GLY H A 86 LEU HD1% 1.0 . 5.43 437 395 A 69 SER H A 68 THR H 1.0 . 4.56 438 396 A 68 THR H A 66 ARG HA 1.0 . 4.83 439 397 A 68 THR H A 67 TYR HBx 1.0 . 5.14 440 398 A 40 GLY H A 39 VAL HG1% 1.0 . 5.45 441 399 A 40 GLY H A 42 SER H 1.0 . 5.06 442 400 A 40 GLY H A 41 TYR H 1.0 . 3.97 443 401 A 40 GLY H A 39 VAL HG2% 1.0 . 4.52 444 402 A 30 LEU HD2% A 40 GLY H 1.0 . 5.50 445 403 A 68 THR H A 65 LEU HA 1.0 . 4.57 446 404 A 68 THR H A 68 THR HG2% 1.0 . 3.82 447 405 A 63 GLN H A 64 GLY H 1.0 . 4.17 448 406 A 41 TYR HD% A 64 GLY H 1.0 . 5.40 449 407 A 41 TYR HBx A 64 GLY H 1.0 . 5.13 450 408 A 64 GLY H A 63 GLN HBx 1.0 . 4.02 451 409 A 80 LEU HD1% A 64 GLY H 1.0 . 4.64 452 410 A 64 GLY H A 63 GLN HGx 1.0 . 4.91 453 411 A 64 GLY H A 63 GLN HBy 1.0 . 4.87 454 412 A 68 THR HB A 73 HIS HBy 1.0 . 4.78 455 413 A 68 THR HB A 77 ARG HGx 1.0 . 5.06 456 414 A 32 THR HB A 31 ILE HG2% 1.0 . 5.50 457 415 A 32 THR HB A 33 ALA HB% 1.0 . 4.15 458 416 A 27 TYR HD% A 24 VAL HA 1.0 . 3.90 459 417 A 23 ALA HB% A 24 VAL HA 1.0 . 4.53 460 418 A 27 TYR H A 24 VAL HA 1.0 . 4.01 461 419 A 27 TYR HBx A 24 VAL HA 1.0 . 4.70 462 420 A 47 ALA HB% A 24 VAL HA 1.0 . 4.11 463 421 A 24 VAL HG1% A 24 VAL HA 1.0 . 3.54 464 422 A 24 VAL HA A 44 LYS HA 1.0 . 4.27 465 423 A 55 THR HB A 54 TYR H 1.0 . 4.86 466 424 A 54 TYR HBx A 55 THR HB 1.0 . 5.48 467 425 A 55 THR HB A 56 GLN HBx 1.0 . 4.83 468 426 A 55 THR HB A 56 GLN HGy 1.0 . 4.72 469 427 A 91 VAL HG2% A 55 THR HA 1.0 . 5.07 470 428 A 58 ILE H A 55 THR HA 1.0 . 4.08 471 429 A 55 THR HA A 58 ILE HG1y 1.0 . 4.13 472 430 A 59 GLN H A 55 THR HA 1.0 . 5.50 473 431 A 57 ALA HB% A 55 THR HA 1.0 . 5.19 474 432 A 77 ARG H A 74 VAL HA 1.0 . 3.95 475 433 A 77 ARG HBx A 74 VAL HA 1.0 . 3.92 476 434 A 41 TYR H A 39 VAL HA 1.0 . 4.82 477 435 A 58 ILE HA A 61 CYS HA 1.0 . 4.96 478 436 A 57 ALA H A 58 ILE HA 1.0 . 5.40 479 437 A 58 ILE HA A 84 LEU HA 1.0 . 3.82 480 438 A 62 GLN HGy A 58 ILE HA 1.0 . 4.99 481 439 A 57 ALA HB% A 58 ILE HA 1.0 . 4.12 482 440 A 84 LEU HD1% A 58 ILE HA 1.0 . 3.62 483 441 A 58 ILE HG2% A 58 ILE HA 1.0 . 3.20 484 442 A 43 ASN H A 39 VAL HA 1.0 . 4.84 485 443 A 42 SER H A 39 VAL HA 1.0 . 4.16 486 444 A 39 VAL HG1% A 39 VAL HA 1.0 . 3.41 487 445 A 49 ILE HA A 54 TYR HE% 1.0 . 3.89 488 446 A 49 ILE HA A 52 GLY H 1.0 . 4.35 489 447 A 31 ILE H A 32 THR HA 1.0 . 5.20 490 448 A 31 ILE HG2% A 32 THR HA 1.0 . 4.12 491 449 A 33 ALA HB% A 32 THR HA 1.0 . 5.28 492 450 A 41 TYR H A 38 PRO HA 1.0 . 4.28 493 451 A 30 LEU H A 31 ILE HA 1.0 . 5.19 494 452 A 30 LEU HA A 31 ILE HA 1.0 . 4.65 495 453 A 68 THR HG2% A 38 PRO HA 1.0 . 4.33 496 454 A 41 TYR HD% A 38 PRO HA 1.0 . 3.50 497 455 A 64 GLY H A 61 CYS HA 1.0 . 4.78 498 456 A 41 TYR HBx A 61 CYS HA 1.0 . 3.98 499 457 A 80 LEU HD2% A 61 CYS HA 1.0 . 5.15 500 458 A 70 THR H A 69 SER HBy 1.0 . 4.83 501 459 A 70 THR HG2% A 69 SER HBx 1.0 . 5.35 502 460 A 93 SER HA A 93 SER HBx 1.0 . 2.60 503 460 A 93 SER HA A 93 SER HBy 1.0 . 2.60 504 461 A 93 SER HBy A 94 VAL HG1% 1.0 . 3.86 505 461 A 93 SER HBx A 94 VAL HG1% 1.0 . 3.86 506 461 A 94 VAL HG2% A 93 SER HBx 1.0 . 3.86 507 461 A 93 SER HBy A 94 VAL HG2% 1.0 . 3.86 508 462 A 90 ALA HB% A 93 SER HBx 1.0 . 4.65 509 462 A 93 SER HBy A 90 ALA HB% 1.0 . 4.65 510 463 A 95 GLN HBx A 93 SER HBx 1.0 . 4.51 511 463 A 95 GLN HBx A 93 SER HBy 1.0 . 4.51 512 464 A 43 ASN H A 42 SER HBx 1.0 . 4.45 513 465 A 54 TYR HD% A 91 VAL HA 1.0 . 4.31 514 466 A 54 TYR HBy A 91 VAL HA 1.0 . 4.31 515 467 A 54 TYR HBx A 91 VAL HA 1.0 . 4.34 516 468 A 80 LEU HD2% A 42 SER HBy 1.0 . 5.08 517 469 A 42 SER H A 42 SER HBx 1.0 . 4.11 518 470 A 80 LEU HD2% A 42 SER HBx 1.0 . 4.78 519 471 A 97 PRO HA A 98 VAL HA 1.0 . 4.46 520 472 A 79 LYS H A 76 ILE HA 1.0 . 3.68 521 473 A 76 ILE HA A 79 LYS HGy 1.0 . 3.88 522 474 A 101 VAL HA A 101 VAL H 1.0 . 2.90 523 475 A 99 VAL HA A 99 VAL HB 1.0 . 2.95 524 476 A 14 LEU H A 13 SER HBx 1.0 . 3.55 525 476 A 14 LEU H A 13 SER HBy 1.0 . 3.55 526 477 A 13 SER HA A 13 SER HBx 1.0 . 2.70 527 477 A 13 SER HBy A 13 SER HA 1.0 . 2.70 528 478 A 75 ALA HB% A 78 SER HBx 1.0 . 4.72 529 478 A 75 ALA HB% A 78 SER HBy 1.0 . 4.72 530 479 A 18 GLY H A 15 PHE HA 1.0 . 4.47 531 480 A 23 ALA HB% A 15 PHE HA 1.0 . 4.03 532 481 A 81 GLN H A 78 SER HA 1.0 . 4.27 533 482 A 94 VAL HA A 95 GLN HE2y 1.0 . 5.03 534 483 A 94 VAL HA A 95 GLN HGx 1.0 . 4.58 535 483 A 94 VAL HA A 95 GLN HGy 1.0 . 4.58 536 484 A 94 VAL HA A 93 SER HA 1.0 . 4.50 537 485 A 94 VAL HA A 93 SER HBx 1.0 . 4.67 538 485 A 94 VAL HA A 93 SER HBy 1.0 . 4.67 539 486 A 94 VAL HA A 94 VAL HG1% 1.0 . 2.85 540 486 A 94 VAL HA A 94 VAL HG2% 1.0 . 2.85 541 487 A 101 VAL HA A 101 VAL HG1% 1.0 . 2.83 542 487 A 101 VAL HA A 101 VAL HG2% 1.0 . 2.83 543 488 A 14 LEU HA A 15 PHE HA 1.0 . 4.91 544 489 A 17 GLN H A 13 SER HA 1.0 . 4.70 545 490 A 13 SER HA A 16 LYS HBx 1.0 . 3.29 546 490 A 16 LYS HBy A 13 SER HA 1.0 . 3.29 547 491 A 47 ALA HB% A 20 TYR HA 1.0 . 4.55 548 492 A 30 LEU HD1% A 4 PHE HA 1.0 . 4.00 549 493 A 57 ALA H A 54 TYR HA 1.0 . 3.86 550 494 A 54 TYR HD% A 54 TYR HA 1.0 . 3.24 551 495 A 54 TYR HA A 49 ILE HG2% 1.0 . 4.88 552 496 A 70 THR HG2% A 70 THR HA 1.0 . 3.36 553 497 A 85 GLU H A 82 TYR HA 1.0 . 4.15 554 498 A 82 TYR HA A 85 GLU HBy 1.0 . 3.66 555 499 A 24 VAL HG1% A 44 LYS HA 1.0 . 4.37 556 500 A 24 VAL HG2% A 44 LYS HA 1.0 . 4.48 557 501 A 45 ALA HB% A 42 SER HA 1.0 . 3.76 558 502 A 85 GLU HGy A 82 TYR HA 1.0 . 4.68 559 503 A 86 LEU HD2% A 82 TYR HA 1.0 . 5.42 560 504 A 83 ARG HA A 83 ARG HGx 1.0 . 3.94 561 505 A 80 LEU HD1% A 42 SER HA 1.0 . 3.75 562 506 A 68 THR HA A 68 THR HG2% 1.0 . 3.56 563 507 A 25 HIS H A 22 GLU HA 1.0 . 4.00 564 508 A 22 GLU HA A 22 GLU HGx 1.0 . 3.34 565 509 A 11 GLY H A 8 LYS HA 1.0 . 4.84 566 510 A 8 LYS HA A 8 LYS HDy 1.0 . 4.84 567 511 A 8 LYS HA A 8 LYS HGy 1.0 . 4.06 568 512 A 8 LYS HA A 8 LYS HGx 1.0 . 3.96 569 513 A 30 LEU HD2% A 8 LYS HA 1.0 . 3.83 570 514 A 30 LEU HD1% A 8 LYS HA 1.0 . 4.26 571 515 A 7 GLN HE2y A 8 LYS HA 1.0 . 4.58 572 516 A 8 LYS HA A 9 GLU HBx 1.0 . 5.21 573 516 A 9 GLU HBy A 8 LYS HA 1.0 . 5.21 574 517 A 68 THR HA A 38 PRO HGy 1.0 . 5.13 575 518 A 27 TYR H A 25 HIS HA 1.0 . 4.79 576 519 A 25 HIS HA A 25 HIS HD2 1.0 . 5.20 577 520 A 28 ASP H A 25 HIS HA 1.0 . 4.00 578 521 A 28 ASP HBy A 25 HIS HA 1.0 . 3.53 579 522 A 18 GLY H A 16 LYS HA 1.0 . 4.75 580 523 A 70 THR HG2% A 69 SER HA 1.0 . 4.96 581 524 A 111 SER HA A 111 SER HBx 1.0 . 2.60 582 524 A 111 SER HBy A 111 SER HA 1.0 . 2.60 583 525 A 82 TYR HBy A 79 LYS HA 1.0 . 3.92 584 526 A 82 TYR H A 79 LYS HA 1.0 . 4.03 585 527 A 79 LYS HA A 79 LYS HGx 1.0 . 3.99 586 528 A 6 LYS HGx A 6 LYS HA 1.0 . 3.67 587 529 A 15 PHE H A 16 LYS HA 1.0 . 5.26 588 530 A 15 PHE HD% A 16 LYS HA 1.0 . 4.43 589 531 A 30 LEU HD1% A 5 GLU HA 1.0 . 5.19 590 532 A 5 GLU HA A 8 LYS HEy 1.0 . 4.47 591 533 A 4 PHE HD% A 5 GLU HA 1.0 . 4.68 592 534 A 21 ARG HA A 24 VAL HB 1.0 . 3.86 593 535 A 24 VAL H A 21 ARG HA 1.0 . 4.44 594 536 A 25 HIS H A 21 ARG HA 1.0 . 4.73 595 537 A 21 ARG HA A 21 ARG HGx 1.0 . 3.38 596 537 A 21 ARG HA A 21 ARG HGy 1.0 . 3.38 597 538 A 48 LEU HD2% A 56 GLN HA 1.0 . 4.52 598 539 A 59 GLN H A 56 GLN HA 1.0 . 3.88 599 540 A 10 GLN HA A 10 GLN HBx 1.0 . 2.80 600 540 A 10 GLN HBy A 10 GLN HA 1.0 . 2.80 601 541 A 11 GLY H A 10 GLN HA 1.0 . 3.56 602 542 A 12 ASN HD2y A 9 GLU HA 1.0 . 4.89 603 543 A 9 GLU HA A 9 GLU HBx 1.0 . 2.64 604 543 A 9 GLU HA A 9 GLU HBy 1.0 . 2.64 605 544 A 8 LYS HBx A 5 GLU HA 1.0 . 4.32 606 545 A 84 LEU HD1% A 84 LEU HA 1.0 . 3.12 607 546 A 62 GLN HA A 62 GLN HGy 1.0 . 3.65 608 547 A 61 CYS HBy A 80 LEU HA 1.0 . 4.02 609 548 A 81 GLN HA A 81 GLN HE2x 1.0 . 3.88 610 549 A 66 ARG HBx A 63 GLN HA 1.0 . 4.42 611 550 A 66 ARG H A 63 GLN HA 1.0 . 4.24 612 551 A 66 ARG HDx A 63 GLN HA 1.0 . 3.80 613 552 A 63 GLN HGx A 63 GLN HA 1.0 . 3.52 614 553 A 63 GLN HA A 66 ARG HGy 1.0 . 4.02 615 554 A 93 SER HA A 94 VAL HG1% 1.0 . 3.78 616 554 A 93 SER HA A 94 VAL HG2% 1.0 . 3.78 617 555 A 27 TYR HD% A 27 TYR HA 1.0 . 4.02 618 556 A 108 TYR HA A 108 TYR HBx 1.0 . 2.64 619 556 A 108 TYR HA A 108 TYR HBy 1.0 . 2.64 620 557 A 16 LYS H A 14 LEU HA 1.0 . 4.94 621 558 A 14 LEU HA A 17 GLN HE2y 1.0 . 4.55 622 559 A 14 LEU HA A 14 LEU HD1% 1.0 . 3.25 623 560 A 66 ARG HA A 66 ARG HGy 1.0 . 3.84 624 561 A 28 ASP HA A 30 LEU H 1.0 . 4.19 625 562 A 50 LYS H A 46 MET HA 1.0 . 4.88 626 563 A 46 MET HA A 50 LYS HEx 1.0 . 4.34 627 563 A 50 LYS HEy A 46 MET HA 1.0 . 4.34 628 564 A 72 GLU HA A 72 GLU HGx 1.0 . 3.27 629 564 A 72 GLU HA A 72 GLU HGy 1.0 . 3.27 630 565 A 49 ILE HD1% A 46 MET HA 1.0 . 3.69 631 566 A 72 GLU HA A 73 HIS HA 1.0 . 4.75 632 567 A 72 GLU HA A 72 GLU HBx 1.0 . 2.92 633 568 A 32 THR H A 29 GLN HA 1.0 . 4.08 634 569 A 33 ALA H A 29 GLN HA 1.0 . 4.48 635 570 A 30 LEU HD1% A 29 GLN HA 1.0 . 4.60 636 571 A 32 THR HG2% A 29 GLN HA 1.0 . 4.37 637 572 A 48 LEU HD2% A 48 LEU HA 1.0 . 3.95 638 573 A 51 LEU H A 48 LEU HA 1.0 . 4.12 639 574 A 89 GLY H A 86 LEU HA 1.0 . 4.47 640 575 A 41 TYR HD% A 60 MET HA 1.0 . 4.06 641 576 A 106 GLU HA A 106 GLU HGx 1.0 . 3.33 642 576 A 106 GLU HA A 106 GLU HGy 1.0 . 3.33 643 577 A 106 GLU HA A 106 GLU HBx 1.0 . 2.69 644 577 A 106 GLU HA A 106 GLU HBy 1.0 . 2.69 645 578 A 30 LEU HA A 34 GLN HGx 1.0 . 4.57 646 579 A 4 PHE HD% A 30 LEU HA 1.0 . 4.76 647 580 A 63 GLN H A 60 MET HA 1.0 . 4.29 648 581 A 45 ALA HB% A 60 MET HA 1.0 . 5.31 649 582 A 68 THR HB A 65 LEU HA 1.0 . 4.33 650 583 A 108 TYR HE% A 110 ARG HA 1.0 . 4.17 651 584 A 110 ARG HA A 110 ARG HDx 1.0 . 3.96 652 584 A 110 ARG HDy A 110 ARG HA 1.0 . 3.96 653 585 A 52 GLY H A 50 LYS HA 1.0 . 4.50 654 586 A 49 ILE HD1% A 50 LYS HA 1.0 . 3.67 655 587 A 73 HIS HA A 73 HIS HD2 1.0 . 4.76 656 588 A 100 GLU HBy A 100 GLU HA 1.0 . 3.01 657 589 A 100 GLU HA A 101 VAL HG1% 1.0 . 3.65 658 589 A 101 VAL HG2% A 100 GLU HA 1.0 . 3.65 659 590 A 103 GLU HA A 102 ASP HA 1.0 . 4.50 660 591 A 103 GLU HA A 101 VAL HG1% 1.0 . 4.50 661 591 A 103 GLU HA A 101 VAL HG2% 1.0 . 4.50 662 592 A 103 GLU HA A 103 GLU HBy 1.0 . 2.94 663 593 A 17 GLN HGy A 17 GLN HA 1.0 . 3.58 664 594 A 17 GLN HA A 17 GLN HGx 1.0 . 3.42 665 595 A 57 ALA HA A 60 MET HGy 1.0 . 4.95 666 596 A 26 CYS H A 23 ALA HA 1.0 . 4.36 667 597 A 14 LEU HBy A 23 ALA HA 1.0 . 4.61 668 598 A 75 ALA HB% A 73 HIS HA 1.0 . 4.82 669 599 A 15 PHE H A 12 ASN HA 1.0 . 4.29 670 600 A 23 ALA HB% A 12 ASN HA 1.0 . 5.04 671 601 A 12 ASN HA A 16 LYS HDx 1.0 . 5.11 672 601 A 12 ASN HA A 16 LYS HDy 1.0 . 5.11 673 602 A 95 GLN HA A 95 GLN HBy 1.0 . 2.97 674 603 A 95 GLN HA A 94 VAL HG1% 1.0 . 4.01 675 603 A 94 VAL HG2% A 95 GLN HA 1.0 . 4.01 676 604 A 95 GLN HA A 95 GLN HGx 1.0 . 3.48 677 604 A 95 GLN HGy A 95 GLN HA 1.0 . 3.48 678 605 A 78 SER H A 75 ALA HA 1.0 . 3.66 679 606 A 46 MET H A 43 ASN HA 1.0 . 4.11 680 607 A 46 MET HBy A 43 ASN HA 1.0 . 3.95 681 608 A 46 MET HBx A 43 ASN HA 1.0 . 3.74 682 609 A 27 TYR HD% A 43 ASN HA 1.0 . 4.88 683 610 A 75 ALA HA A 78 SER HBx 1.0 . 3.34 684 610 A 78 SER HBy A 75 ALA HA 1.0 . 3.34 685 611 A 20 TYR HBy A 51 LEU HA 1.0 . 5.50 686 612 A 51 LEU HD2% A 51 LEU HA 1.0 . 4.00 687 613 A 45 ALA H A 43 ASN HA 1.0 . 4.87 688 614 A 47 ALA H A 43 ASN HA 1.0 . 4.65 689 615 A 91 VAL H A 87 ALA HA 1.0 . 3.95 690 616 A 54 TYR HD% A 87 ALA HA 1.0 . 3.66 691 617 A 90 ALA HB% A 87 ALA HA 1.0 . 3.76 692 618 A 102 ASP HA A 101 VAL HG1% 1.0 . 4.30 693 618 A 101 VAL HG2% A 102 ASP HA 1.0 . 4.30 694 619 A 32 THR H A 33 ALA HA 1.0 . 4.85 695 620 A 103 GLU HBx A 102 ASP HA 1.0 . 5.50 696 621 A 102 ASP HA A 102 ASP HBy 1.0 . 2.96 697 622 A 74 VAL H A 71 ALA HA 1.0 . 4.54 698 623 A 67 TYR HD% A 36 GLN HA 1.0 . 4.86 699 624 A 109 ASP HA A 109 ASP HBx 1.0 . 2.94 700 625 A 53 GLU HA A 56 GLN HE2y 1.0 . 4.87 701 626 A 89 GLY H A 90 ALA HA 1.0 . 4.76 702 627 A 91 VAL HG2% A 90 ALA HA 1.0 . 5.17 703 628 A 105 PRO HDy A 104 LEU HA 1.0 . 2.83 704 629 A 105 PRO HDx A 104 LEU HA 1.0 . 2.94 705 630 A 21 ARG H A 19 LEU HA 1.0 . 4.70 706 631 A 19 LEU HA A 19 LEU HD1% 1.0 . 3.28 707 632 A 97 PRO HDy A 96 ILE HG12 1.0 . 5.14 708 632 A 96 ILE HG13 A 97 PRO HDy 1.0 . 5.14 709 633 A 97 PRO HDy A 94 VAL HG1% 1.0 . 4.05 710 633 A 94 VAL HG2% A 97 PRO HDy 1.0 . 4.05 711 634 A 97 PRO HDx A 94 VAL HG1% 1.0 . 3.75 712 634 A 94 VAL HG2% A 97 PRO HDx 1.0 . 3.75 713 635 A 38 PRO HDy A 68 THR HG2% 1.0 . 5.01 714 636 A 39 VAL H A 38 PRO HDx 1.0 . 5.07 715 637 A 105 PRO HDy A 108 TYR HBx 1.0 . 4.98 716 637 A 108 TYR HBy A 105 PRO HDy 1.0 . 4.98 717 638 A 105 PRO HDy A 104 LEU HBy 1.0 . 4.01 718 639 A 105 PRO HDy A 104 LEU HBx 1.0 . 3.92 719 640 A 105 PRO HDx A 106 GLU H 1.0 . 4.75 720 641 A 105 PRO HDx A 108 TYR HD% 1.0 . 4.70 721 642 A 105 PRO HDx A 104 LEU HBy 1.0 . 3.85 722 643 A 105 PRO HDx A 104 LEU HBx 1.0 . 3.56 723 644 A 105 PRO HDx A 104 LEU HD2% 1.0 . 4.06 724 645 A 34 GLN H A 35 PRO HDy 1.0 . 4.63 725 646 A 35 PRO HDy A 34 GLN HA 1.0 . 3.76 726 647 A 34 GLN HA A 35 PRO HDx 1.0 . 3.76 727 648 A 36 GLN H A 35 PRO HDx 1.0 . 4.82 728 649 A 34 GLN H A 35 PRO HDx 1.0 . 4.47 729 650 A 38 PRO HDy A 37 ASN HA 1.0 . 3.63 730 651 A 37 ASN HA A 38 PRO HDx 1.0 . 3.71 731 652 A 37 ASN HA A 38 PRO HGx 1.0 . 4.46 732 653 A 30 LEU HBy A 40 GLY HAy 1.0 . 4.73 733 654 A 30 LEU HD2% A 40 GLY HAx 1.0 . 4.34 734 655 A 31 ILE HG1x A 40 GLY HAx 1.0 . 4.94 735 656 A 11 GLY HAy A 10 GLN HBx 1.0 . 4.73 736 656 A 10 GLN HBy A 11 GLY HAy 1.0 . 4.73 737 657 A 14 LEU HBy A 11 GLY HAy 1.0 . 4.67 738 658 A 41 TYR HBx A 64 GLY HAx 1.0 . 4.90 739 658 A 64 GLY HAy A 41 TYR HBx 1.0 . 4.90 740 659 A 38 PRO HA A 64 GLY HAx 1.0 . 4.61 741 659 A 64 GLY HAy A 38 PRO HA 1.0 . 4.61 742 660 A 11 GLY HAy A 26 CYS HBy 1.0 . 4.46 743 661 A 26 CYS HBx A 11 GLY HAy 1.0 . 4.54 744 662 A 23 ALA HB% A 11 GLY HAy 1.0 . 4.92 745 663 A 11 GLY HAy A 23 ALA HA 1.0 . 4.59 746 664 A 80 LEU HD1% A 64 GLY HAx 1.0 . 4.69 747 664 A 80 LEU HD1% A 64 GLY HAy 1.0 . 4.69 748 665 A 80 LEU HD2% A 64 GLY HAx 1.0 . 4.81 749 665 A 64 GLY HAy A 80 LEU HD2% 1.0 . 4.81 750 666 A 26 CYS HBx A 11 GLY HAx 1.0 . 4.54 751 667 A 14 LEU HBy A 11 GLY HAx 1.0 . 4.91 752 668 A 88 GLN H A 89 GLY HAy 1.0 . 4.85 753 669 A 90 ALA HB% A 89 GLY HAy 1.0 . 5.09 754 670 A 91 VAL H A 92 GLY HAx 1.0 . 4.88 755 670 A 91 VAL H A 92 GLY HAy 1.0 . 4.88 756 671 A 107 GLY HAy A 105 PRO HGx 1.0 . 4.69 757 671 A 105 PRO HGy A 107 GLY HAy 1.0 . 4.69 758 672 A 91 VAL HG2% A 92 GLY HAx 1.0 . 5.39 759 672 A 91 VAL HG2% A 92 GLY HAy 1.0 . 5.39 760 673 A 54 TYR H A 52 GLY HAx 1.0 . 4.78 761 674 A 51 LEU H A 52 GLY HAx 1.0 . 4.74 762 675 A 54 TYR HE% A 52 GLY HAx 1.0 . 5.14 763 676 A 49 ILE HA A 52 GLY HAx 1.0 . 4.82 764 677 A 19 LEU HA A 18 GLY HAy 1.0 . 4.98 765 678 A 17 GLN H A 18 GLY HAx 1.0 . 5.24 766 679 A 78 SER H A 77 ARG HDx 1.0 . 4.83 767 679 A 77 ARG HDy A 78 SER H 1.0 . 4.83 768 680 A 77 ARG HA A 77 ARG HDx 1.0 . 4.62 769 680 A 77 ARG HDy A 77 ARG HA 1.0 . 4.62 770 681 A 77 ARG HBy A 77 ARG HDx 1.0 . 3.82 771 681 A 77 ARG HDy A 77 ARG HBy 1.0 . 3.82 772 682 A 74 VAL HG2% A 77 ARG HDx 1.0 . 4.03 773 682 A 77 ARG HDy A 74 VAL HG2% 1.0 . 4.03 774 683 A 20 TYR HBx A 51 LEU HBy 1.0 . 4.75 775 684 A 51 LEU HD2% A 51 LEU HBy 1.0 . 4.19 776 685 A 51 LEU HBy A 53 GLU HGy 1.0 . 5.11 777 686 A 48 LEU HA A 51 LEU HBx 1.0 . 4.49 778 687 A 53 GLU HGy A 51 LEU HBx 1.0 . 4.87 779 688 A 51 LEU HBx A 51 LEU HD1% 1.0 . 4.10 780 689 A 52 GLY H A 51 LEU HBx 1.0 . 4.81 781 690 A 110 ARG HBy A 110 ARG HDx 1.0 . 3.52 782 690 A 110 ARG HBy A 110 ARG HDy 1.0 . 3.52 783 691 A 63 GLN HA A 66 ARG HDy 1.0 . 3.79 784 692 A 66 ARG HBy A 66 ARG HDy 1.0 . 3.25 785 693 A 66 ARG HBx A 66 ARG HDy 1.0 . 3.76 786 694 A 66 ARG H A 66 ARG HDy 1.0 . 4.66 787 695 A 66 ARG HDx A 63 GLN HGx 1.0 . 4.87 788 696 A 66 ARG HDx A 66 ARG HBx 1.0 . 3.93 789 697 A 80 LEU HBy A 61 CYS HA 1.0 . 4.90 790 698 A 65 LEU HD1% A 80 LEU HBx 1.0 . 4.82 791 699 A 80 LEU HBx A 65 LEU HG 1.0 . 4.21 792 700 A 22 GLU H A 21 ARG HDx 1.0 . 4.54 793 700 A 22 GLU H A 21 ARG HDy 1.0 . 4.54 794 701 A 51 LEU HD2% A 21 ARG HDx 1.0 . 4.19 795 701 A 51 LEU HD2% A 21 ARG HDy 1.0 . 4.19 796 702 A 21 ARG HA A 21 ARG HDx 1.0 . 3.42 797 702 A 21 ARG HA A 21 ARG HDy 1.0 . 3.42 798 703 A 21 ARG HBy A 21 ARG HDx 1.0 . 3.62 799 703 A 21 ARG HDy A 21 ARG HBy 1.0 . 3.62 800 704 A 21 ARG HDy A 21 ARG HGx 1.0 . 2.99 801 704 A 21 ARG HDx A 21 ARG HGx 1.0 . 2.99 802 704 A 21 ARG HGy A 21 ARG HDx 1.0 . 2.99 803 704 A 21 ARG HGy A 21 ARG HDy 1.0 . 2.99 804 705 A 21 ARG H A 21 ARG HDx 1.0 . 4.25 805 705 A 21 ARG H A 21 ARG HDy 1.0 . 4.25 806 706 A 87 ALA H A 86 LEU HBx 1.0 . 3.44 807 706 A 87 ALA H A 86 LEU HBy 1.0 . 3.44 808 707 A 85 GLU H A 86 LEU HBx 1.0 . 4.79 809 707 A 85 GLU H A 86 LEU HBy 1.0 . 4.79 810 708 A 86 LEU HG A 86 LEU HBx 1.0 . 2.40 811 708 A 86 LEU HBy A 86 LEU HG 1.0 . 2.40 812 709 A 86 LEU HD2% A 86 LEU HBx 1.0 . 3.27 813 709 A 86 LEU HBy A 86 LEU HD2% 1.0 . 3.27 814 710 A 83 ARG HDx A 86 LEU HBx 1.0 . 4.01 815 710 A 83 ARG HDy A 86 LEU HBx 1.0 . 4.01 816 710 A 86 LEU HBy A 83 ARG HDx 1.0 . 4.01 817 710 A 83 ARG HDy A 86 LEU HBy 1.0 . 4.01 818 711 A 16 LYS HDy A 16 LYS HEx 1.0 . 2.70 819 711 A 16 LYS HEy A 16 LYS HDx 1.0 . 2.70 820 711 A 16 LYS HDy A 16 LYS HEy 1.0 . 2.70 821 711 A 16 LYS HDx A 16 LYS HEx 1.0 . 2.70 822 712 A 16 LYS HGx A 16 LYS HEx 1.0 . 3.44 823 712 A 16 LYS HEy A 16 LYS HGx 1.0 . 3.44 824 713 A 16 LYS H A 16 LYS HEx 1.0 . 4.40 825 713 A 16 LYS H A 16 LYS HEy 1.0 . 4.40 826 714 A 12 ASN HA A 16 LYS HEx 1.0 . 5.12 827 714 A 12 ASN HA A 16 LYS HEy 1.0 . 5.12 828 715 A 6 LYS HA A 6 LYS HEx 1.0 . 4.46 829 715 A 6 LYS HA A 6 LYS HEy 1.0 . 4.46 830 716 A 6 LYS HDx A 6 LYS HEx 1.0 . 2.97 831 716 A 6 LYS HDy A 6 LYS HEx 1.0 . 2.97 832 716 A 6 LYS HEy A 6 LYS HDx 1.0 . 2.97 833 716 A 6 LYS HEy A 6 LYS HDy 1.0 . 2.97 834 717 A 6 LYS HGx A 6 LYS HEx 1.0 . 3.66 835 717 A 6 LYS HGx A 6 LYS HEy 1.0 . 3.66 836 718 A 20 TYR HE% A 50 LYS HEx 1.0 . 5.07 837 718 A 50 LYS HEy A 20 TYR HE% 1.0 . 5.07 838 719 A 50 LYS HA A 50 LYS HEx 1.0 . 4.53 839 719 A 50 LYS HEy A 50 LYS HA 1.0 . 4.53 840 720 A 15 PHE HE% A 50 LYS HEx 1.0 . 3.84 841 720 A 50 LYS HEy A 15 PHE HE% 1.0 . 3.84 842 721 A 49 ILE HD1% A 50 LYS HEx 1.0 . 4.05 843 721 A 50 LYS HEy A 49 ILE HD1% 1.0 . 4.05 844 722 A 76 ILE HA A 79 LYS HEx 1.0 . 5.01 845 722 A 79 LYS HEy A 76 ILE HA 1.0 . 5.01 846 723 A 82 TYR HBx A 79 LYS HEx 1.0 . 3.64 847 723 A 79 LYS HEy A 82 TYR HBx 1.0 . 3.64 848 724 A 79 LYS HGx A 79 LYS HEx 1.0 . 3.78 849 724 A 79 LYS HEy A 79 LYS HGx 1.0 . 3.78 850 725 A 46 MET HGy A 79 LYS HEx 1.0 . 4.51 851 725 A 79 LYS HEy A 46 MET HGy 1.0 . 4.51 852 726 A 79 LYS HBy A 79 LYS HEx 1.0 . 4.07 853 726 A 79 LYS HEy A 79 LYS HBy 1.0 . 4.07 854 727 A 85 GLU H A 84 LEU HBy 1.0 . 4.19 855 728 A 84 LEU H A 84 LEU HBy 1.0 . 3.88 856 729 A 61 CYS HBx A 84 LEU HBy 1.0 . 4.63 857 730 A 65 LEU HBy A 62 GLN HA 1.0 . 4.33 858 731 A 65 LEU HBy A 66 ARG H 1.0 . 4.80 859 732 A 62 GLN HA A 65 LEU HBx 1.0 . 3.61 860 733 A 65 LEU H A 65 LEU HBx 1.0 . 3.99 861 734 A 66 ARG H A 65 LEU HBx 1.0 . 4.79 862 735 A 104 LEU H A 104 LEU HBy 1.0 . 3.37 863 736 A 104 LEU HBy A 108 TYR HBx 1.0 . 4.00 864 736 A 108 TYR HBy A 104 LEU HBy 1.0 . 4.00 865 737 A 108 TYR HD% A 104 LEU HBy 1.0 . 4.94 866 738 A 104 LEU HBx A 104 LEU HD1% 1.0 . 3.41 867 739 A 104 LEU H A 104 LEU HBx 1.0 . 3.60 868 740 A 9 GLU H A 8 LYS HEy 1.0 . 4.35 869 741 A 8 LYS HA A 8 LYS HEy 1.0 . 4.64 870 742 A 30 LEU HD1% A 8 LYS HEy 1.0 . 5.50 871 743 A 9 GLU HA A 8 LYS HEx 1.0 . 5.15 872 744 A 5 GLU HA A 8 LYS HEx 1.0 . 4.42 873 745 A 30 LEU HD2% A 8 LYS HEx 1.0 . 5.28 874 746 A 9 GLU H A 8 LYS HEx 1.0 . 4.50 875 747 A 103 GLU H A 102 ASP HBy 1.0 . 4.15 876 748 A 102 ASP H A 102 ASP HBy 1.0 . 3.78 877 749 A 102 ASP HBy A 101 VAL HG1% 1.0 . 4.67 878 749 A 101 VAL HG2% A 102 ASP HBy 1.0 . 4.67 879 750 A 102 ASP HBx A 103 GLU H 1.0 . 4.32 880 751 A 109 ASP HBx A 108 TYR HBx 1.0 . 4.65 881 751 A 108 TYR HBy A 109 ASP HBx 1.0 . 4.65 882 752 A 102 ASP HBx A 101 VAL HG1% 1.0 . 4.67 883 752 A 102 ASP HBx A 101 VAL HG2% 1.0 . 4.67 884 753 A 49 ILE H A 48 LEU HBy 1.0 . 4.92 885 754 A 19 LEU HD2% A 14 LEU HBy 1.0 . 4.22 886 755 A 49 ILE H A 48 LEU HBx 1.0 . 4.62 887 756 A 48 LEU HBx A 45 ALA HA 1.0 . 4.81 888 757 A 28 ASP HBy A 29 GLN HA 1.0 . 4.79 889 758 A 28 ASP HBy A 31 ILE HD1% 1.0 . 5.11 890 759 A 29 GLN H A 28 ASP HBx 1.0 . 3.87 891 760 A 28 ASP H A 28 ASP HBx 1.0 . 3.46 892 761 A 15 PHE H A 15 PHE HBy 1.0 . 4.19 893 762 A 15 PHE HBx A 47 ALA HB% 1.0 . 5.21 894 763 A 16 LYS H A 15 PHE HBx 1.0 . 4.35 895 764 A 4 PHE HBy A 33 ALA HB% 1.0 . 5.32 896 765 A 40 GLY H A 37 ASN HBy 1.0 . 4.77 897 766 A 16 LYS H A 15 PHE HBy 1.0 . 4.46 898 767 A 37 ASN HBx A 39 VAL HG1% 1.0 . 5.30 899 768 A 30 LEU HBy A 40 GLY H 1.0 . 4.31 900 769 A 30 LEU HBy A 31 ILE HA 1.0 . 4.97 901 770 A 27 TYR HA A 30 LEU HBx 1.0 . 4.44 902 771 A 29 GLN H A 30 LEU HBx 1.0 . 5.39 903 772 A 30 LEU HBx A 29 GLN HE2x 1.0 . 4.88 904 773 A 29 GLN HE2y A 30 LEU HBx 1.0 . 5.50 905 774 A 67 TYR HBy A 68 THR HG2% 1.0 . 5.04 906 775 A 67 TYR HBx A 38 PRO HDx 1.0 . 4.66 907 776 A 105 PRO HDx A 108 TYR HBx 1.0 . 3.92 908 776 A 105 PRO HDx A 108 TYR HBy 1.0 . 3.92 909 777 A 104 LEU HBx A 108 TYR HBx 1.0 . 3.89 910 777 A 108 TYR HBy A 104 LEU HBx 1.0 . 3.89 911 778 A 104 LEU HD1% A 108 TYR HBx 1.0 . 4.51 912 778 A 108 TYR HBy A 104 LEU HD1% 1.0 . 4.51 913 779 A 105 PRO HGx A 108 TYR HBx 1.0 . 4.10 914 779 A 105 PRO HGy A 108 TYR HBx 1.0 . 4.10 915 779 A 108 TYR HBy A 105 PRO HGx 1.0 . 4.10 916 779 A 108 TYR HBy A 105 PRO HGy 1.0 . 4.10 917 780 A 108 TYR H A 108 TYR HBx 1.0 . 3.95 918 780 A 108 TYR HBy A 108 TYR H 1.0 . 3.95 919 781 A 59 GLN H A 58 ILE HB 1.0 . 3.76 920 782 A 58 ILE H A 58 ILE HB 1.0 . 3.64 921 783 A 31 ILE H A 31 ILE HB 1.0 . 3.93 922 784 A 31 ILE HD1% A 31 ILE HB 1.0 . 3.97 923 785 A 19 LEU HBy A 19 LEU HD1% 1.0 . 4.05 924 786 A 19 LEU HBy A 22 GLU HGx 1.0 . 4.96 925 787 A 41 TYR HBy A 64 GLY HAx 1.0 . 4.62 926 787 A 64 GLY HAy A 41 TYR HBy 1.0 . 4.62 927 788 A 54 TYR HBy A 58 ILE HD1% 1.0 . 4.71 928 789 A 82 TYR HBy A 83 ARG H 1.0 . 4.08 929 790 A 20 TYR HBy A 51 LEU HG 1.0 . 5.50 930 791 A 82 TYR HBx A 83 ARG H 1.0 . 4.48 931 792 A 54 TYR HBx A 53 GLU HA 1.0 . 4.86 932 793 A 20 TYR H A 19 LEU HBx 1.0 . 4.74 933 794 A 91 VAL HG2% A 54 TYR HBy 1.0 . 4.22 934 795 A 21 ARG H A 20 TYR HBy 1.0 . 4.63 935 796 A 54 TYR HBx A 57 ALA HB% 1.0 . 4.67 936 797 A 54 TYR HBx A 91 VAL HB 1.0 . 4.41 937 798 A 20 TYR HBx A 51 LEU HG 1.0 . 4.50 938 799 A 23 ALA HB% A 20 TYR HBx 1.0 . 5.29 939 800 A 50 LYS H A 49 ILE HB 1.0 . 4.23 940 801 A 57 ALA HB% A 49 ILE HB 1.0 . 4.48 941 802 A 49 ILE H A 49 ILE HB 1.0 . 3.67 942 803 A 77 ARG H A 76 ILE HB 1.0 . 3.93 943 804 A 76 ILE HB A 73 HIS HA 1.0 . 4.58 944 805 A 76 ILE HB A 77 ARG HA 1.0 . 4.73 945 806 A 12 ASN HBy A 9 GLU HBx 1.0 . 4.83 946 806 A 9 GLU HBy A 12 ASN HBy 1.0 . 4.83 947 807 A 9 GLU HA A 12 ASN HBx 1.0 . 4.06 948 808 A 23 ALA HB% A 22 GLU HGy 1.0 . 5.44 949 809 A 23 ALA H A 22 GLU HGy 1.0 . 4.43 950 810 A 22 GLU H A 22 GLU HGy 1.0 . 3.92 951 811 A 22 GLU H A 22 GLU HGx 1.0 . 3.96 952 812 A 22 GLU HGx A 19 LEU HBx 1.0 . 4.67 953 813 A 23 ALA H A 22 GLU HGx 1.0 . 5.02 954 814 A 19 LEU HD2% A 22 GLU HGx 1.0 . 4.17 955 815 A 22 GLU HGx A 21 ARG HDx 1.0 . 5.29 956 815 A 22 GLU HGx A 21 ARG HDy 1.0 . 5.29 957 816 A 76 ILE HB A 73 HIS HBy 1.0 . 4.71 958 817 A 85 GLU HGy A 81 GLN HE2y 1.0 . 4.63 959 818 A 85 GLU HGy A 85 GLU H 1.0 . 3.41 960 819 A 84 LEU HD1% A 85 GLU HGy 1.0 . 5.34 961 820 A 85 GLU H A 85 GLU HGx 1.0 . 4.56 962 821 A 81 GLN HE2y A 85 GLU HGx 1.0 . 5.07 963 822 A 27 TYR HBy A 30 LEU HD2% 1.0 . 5.11 964 823 A 27 TYR HBy A 31 ILE HD1% 1.0 . 5.28 965 824 A 27 TYR HBy A 8 LYS HDx 1.0 . 5.50 966 825 A 27 TYR HBy A 44 LYS HA 1.0 . 4.55 967 826 A 28 ASP H A 27 TYR HBx 1.0 . 4.85 968 827 A 27 TYR HBx A 44 LYS HBx 1.0 . 4.61 969 828 A 24 VAL HG1% A 27 TYR HBx 1.0 . 5.30 970 829 A 27 TYR HBx A 44 LYS HA 1.0 . 4.82 971 830 A 5 GLU HA A 5 GLU HGx 1.0 . 3.47 972 830 A 5 GLU HGy A 5 GLU HA 1.0 . 3.47 973 831 A 106 GLU H A 106 GLU HGx 1.0 . 4.02 974 831 A 106 GLU H A 106 GLU HGy 1.0 . 4.02 975 832 A 103 GLU HA A 103 GLU HGy 1.0 . 3.71 976 833 A 5 GLU HBx A 5 GLU HGx 1.0 . 2.93 977 833 A 5 GLU HGy A 5 GLU HBx 1.0 . 2.93 978 834 A 9 GLU H A 9 GLU HGx 1.0 . 3.75 979 834 A 9 GLU H A 9 GLU HGy 1.0 . 3.75 980 835 A 61 CYS H A 60 MET HBy 1.0 . 4.68 981 836 A 60 MET HBx A 45 ALA HB% 1.0 . 4.81 982 837 A 61 CYS H A 60 MET HBx 1.0 . 4.53 983 838 A 56 GLN HGy A 56 GLN HA 1.0 . 3.42 984 839 A 55 THR HG2% A 56 GLN HGx 1.0 . 5.32 985 840 A 56 GLN HA A 56 GLN HGx 1.0 . 3.44 986 841 A 56 GLN H A 56 GLN HGx 1.0 . 3.94 987 842 A 53 GLU HBx A 56 GLN HGx 1.0 . 4.97 988 843 A 57 ALA HA A 60 MET HBx 1.0 . 4.54 989 844 A 84 LEU HD2% A 62 GLN HGy 1.0 . 3.60 990 845 A 84 LEU HD1% A 62 GLN HGy 1.0 . 3.85 991 846 A 17 GLN H A 17 GLN HGx 1.0 . 3.75 992 847 A 88 GLN HA A 88 GLN HGx 1.0 . 3.44 993 848 A 88 GLN H A 88 GLN HGx 1.0 . 3.94 994 849 A 84 LEU HD1% A 62 GLN HGx 1.0 . 4.10 995 850 A 53 GLU H A 53 GLU HGy 1.0 . 4.14 996 851 A 54 TYR H A 53 GLU HGy 1.0 . 5.50 997 852 A 51 LEU HA A 53 GLU HGy 1.0 . 5.42 998 853 A 48 LEU HD1% A 53 GLU HGy 1.0 . 4.41 999 854 A 51 LEU HD2% A 53 GLU HGy 1.0 . 4.69 1000 855 A 35 PRO HDx A 36 GLN HGx 1.0 . 5.24 1001 855 A 36 GLN HGy A 35 PRO HDx 1.0 . 5.24 1002 856 A 53 GLU H A 53 GLU HGx 1.0 . 4.13 1003 857 A 48 LEU HD1% A 53 GLU HGx 1.0 . 4.40 1004 858 A 39 VAL HG2% A 43 ASN HBy 1.0 . 5.33 1005 859 A 62 GLN H A 62 GLN HGy 1.0 . 3.65 1006 860 A 29 GLN H A 29 GLN HGy 1.0 . 3.79 1007 861 A 30 LEU H A 29 GLN HGx 1.0 . 4.33 1008 862 A 29 GLN H A 29 GLN HGx 1.0 . 3.37 1009 863 A 63 GLN HA A 63 GLN HGy 1.0 . 3.78 1010 864 A 63 GLN H A 63 GLN HGy 1.0 . 3.86 1011 865 A 63 GLN H A 63 GLN HGx 1.0 . 3.72 1012 866 A 65 LEU HD1% A 62 GLN HGx 1.0 . 5.19 1013 867 A 62 GLN HA A 62 GLN HGx 1.0 . 3.59 1014 868 A 7 GLN HA A 7 GLN HGx 1.0 . 3.59 1015 868 A 7 GLN HGy A 7 GLN HA 1.0 . 3.59 1016 869 A 30 LEU HD1% A 7 GLN HGx 1.0 . 4.71 1017 869 A 7 GLN HGy A 30 LEU HD1% 1.0 . 4.71 1018 870 A 56 GLN HE2x A 53 GLU HGy 1.0 . 5.35 1019 871 A 53 GLU HGy A 51 LEU HD1% 1.0 . 5.50 1020 872 A 36 GLN HA A 36 GLN HGx 1.0 . 3.26 1021 872 A 36 GLN HGy A 36 GLN HA 1.0 . 3.26 1022 873 A 37 ASN H A 36 GLN HGx 1.0 . 4.48 1023 873 A 37 ASN H A 36 GLN HGy 1.0 . 4.48 1024 874 A 60 MET HGy A 45 ALA HB% 1.0 . 4.94 1025 875 A 60 MET H A 60 MET HGx 1.0 . 4.48 1026 876 A 81 GLN HA A 81 GLN HGy 1.0 . 3.75 1027 877 A 45 ALA HB% A 60 MET HGx 1.0 . 5.50 1028 878 A 6 LYS HGy A 10 GLN HGy 1.0 . 5.35 1029 878 A 10 GLN HGx A 6 LYS HGy 1.0 . 5.35 1030 879 A 10 GLN HBy A 10 GLN HGy 1.0 . 2.61 1031 879 A 10 GLN HBx A 10 GLN HGy 1.0 . 2.61 1032 879 A 10 GLN HGx A 10 GLN HBx 1.0 . 2.61 1033 879 A 10 GLN HGx A 10 GLN HBy 1.0 . 2.61 1034 880 A 10 GLN HA A 10 GLN HGy 1.0 . 3.19 1035 880 A 10 GLN HGx A 10 GLN HA 1.0 . 3.19 1036 881 A 81 GLN HE2x A 81 GLN HGx 1.0 . 3.90 1037 882 A 81 GLN HA A 81 GLN HGx 1.0 . 4.08 1038 883 A 81 GLN HGx A 65 LEU HD2% 1.0 . 4.47 1039 884 A 34 GLN H A 34 GLN HGx 1.0 . 5.03 1040 885 A 45 ALA H A 44 LYS HBy 1.0 . 4.51 1041 886 A 34 GLN H A 34 GLN HGy 1.0 . 4.81 1042 887 A 100 GLU H A 99 VAL HB 1.0 . 4.69 1043 888 A 47 ALA H A 46 MET HBx 1.0 . 4.60 1044 889 A 68 THR HG2% A 38 PRO HBy 1.0 . 3.88 1045 890 A 80 LEU HD2% A 38 PRO HBy 1.0 . 4.94 1046 891 A 17 GLN HGy A 16 LYS HBx 1.0 . 4.94 1047 891 A 16 LYS HBy A 17 GLN HGy 1.0 . 4.94 1048 892 A 15 PHE H A 16 LYS HBx 1.0 . 4.87 1049 892 A 16 LYS HBy A 15 PHE H 1.0 . 4.87 1050 893 A 16 LYS HBy A 16 LYS HEx 1.0 . 4.38 1051 893 A 16 LYS HEy A 16 LYS HBx 1.0 . 4.38 1052 893 A 16 LYS HBy A 16 LYS HEy 1.0 . 4.38 1053 893 A 16 LYS HBx A 16 LYS HEx 1.0 . 4.38 1054 894 A 38 PRO HBx A 76 ILE HD1% 1.0 . 5.07 1055 895 A 80 LEU HD2% A 38 PRO HBx 1.0 . 4.75 1056 896 A 79 LYS H A 79 LYS HBx 1.0 . 3.88 1057 897 A 49 ILE HD1% A 46 MET HGy 1.0 . 5.12 1058 898 A 49 ILE HG1x A 46 MET HGy 1.0 . 5.33 1059 899 A 46 MET H A 46 MET HGy 1.0 . 4.74 1060 900 A 98 VAL H A 97 PRO HBy 1.0 . 3.60 1061 901 A 54 TYR HD% A 91 VAL HB 1.0 . 4.99 1062 902 A 80 LEU H A 79 LYS HBy 1.0 . 4.29 1063 903 A 40 GLY H A 39 VAL HB 1.0 . 3.91 1064 904 A 29 GLN HE2x A 8 LYS HBy 1.0 . 4.08 1065 905 A 30 LEU HD2% A 8 LYS HBy 1.0 . 5.34 1066 906 A 6 LYS HBy A 6 LYS HEx 1.0 . 4.91 1067 906 A 6 LYS HEy A 6 LYS HBy 1.0 . 4.91 1068 907 A 7 GLN H A 6 LYS HBy 1.0 . 3.96 1069 908 A 6 LYS H A 6 LYS HBy 1.0 . 3.47 1070 909 A 31 ILE HG2% A 35 PRO HBx 1.0 . 4.71 1071 910 A 7 GLN H A 6 LYS HBx 1.0 . 3.88 1072 911 A 6 LYS H A 6 LYS HBx 1.0 . 3.47 1073 912 A 106 GLU H A 105 PRO HBx 1.0 . 4.56 1074 913 A 97 PRO HBx A 94 VAL HG1% 1.0 . 4.25 1075 913 A 97 PRO HBx A 94 VAL HG2% 1.0 . 4.25 1076 914 A 80 LEU H A 79 LYS HBx 1.0 . 4.23 1077 915 A 76 ILE HA A 79 LYS HBx 1.0 . 4.25 1078 916 A 74 VAL H A 73 HIS HBy 1.0 . 4.70 1079 917 A 74 VAL H A 73 HIS HBx 1.0 . 4.69 1080 918 A 74 VAL HB A 73 HIS HA 1.0 . 5.35 1081 919 A 49 ILE HA A 49 ILE HG1y 1.0 . 4.19 1082 920 A 8 LYS HBx A 8 LYS H 1.0 . 3.72 1083 921 A 30 LEU HD1% A 8 LYS HBx 1.0 . 4.53 1084 922 A 8 LYS HBx A 8 LYS HEy 1.0 . 4.98 1085 923 A 8 LYS HBx A 9 GLU HBx 1.0 . 5.50 1086 923 A 9 GLU HBy A 8 LYS HBx 1.0 . 5.50 1087 924 A 30 LEU HD2% A 8 LYS HBx 1.0 . 4.63 1088 925 A 49 ILE HG1x A 54 TYR HE% 1.0 . 5.50 1089 926 A 49 ILE HG1x A 45 ALA HA 1.0 . 5.50 1090 927 A 49 ILE HG1x A 50 LYS HA 1.0 . 4.86 1091 928 A 25 HIS H A 24 VAL HB 1.0 . 3.72 1092 929 A 24 VAL H A 24 VAL HB 1.0 . 3.52 1093 930 A 23 ALA HB% A 24 VAL HB 1.0 . 5.05 1094 931 A 24 VAL HB A 21 ARG HDx 1.0 . 4.51 1095 931 A 24 VAL HB A 21 ARG HDy 1.0 . 4.51 1096 932 A 47 ALA HB% A 24 VAL HB 1.0 . 5.04 1097 933 A 19 LEU HG A 17 GLN HBy 1.0 . 4.49 1098 934 A 19 LEU HD2% A 17 GLN HBy 1.0 . 4.19 1099 935 A 17 GLN H A 17 GLN HBy 1.0 . 3.96 1100 936 A 14 LEU HA A 17 GLN HBy 1.0 . 4.19 1101 937 A 18 GLY H A 17 GLN HBy 1.0 . 4.33 1102 938 A 78 SER H A 77 ARG HBy 1.0 . 4.81 1103 939 A 58 ILE H A 58 ILE HG1y 1.0 . 4.59 1104 940 A 77 ARG HBx A 78 SER H 1.0 . 4.68 1105 941 A 77 ARG HBx A 68 THR HG2% 1.0 . 4.96 1106 942 A 100 GLU HBx A 101 VAL HG1% 1.0 . 5.35 1107 942 A 101 VAL HG2% A 100 GLU HBx 1.0 . 5.35 1108 943 A 84 LEU HD1% A 58 ILE HG1x 1.0 . 4.72 1109 944 A 58 ILE H A 58 ILE HG1x 1.0 . 4.58 1110 945 A 59 GLN H A 58 ILE HG1x 1.0 . 5.02 1111 946 A 87 ALA HB% A 58 ILE HG1x 1.0 . 5.50 1112 947 A 17 GLN HBx A 17 GLN HE2y 1.0 . 4.85 1113 948 A 103 GLU H A 103 GLU HBy 1.0 . 3.79 1114 949 A 34 GLN HBx A 4 PHE HE% 1.0 . 4.87 1115 950 A 110 ARG HBy A 110 ARG HGx 1.0 . 3.01 1116 950 A 110 ARG HBy A 110 ARG HGy 1.0 . 3.01 1117 951 A 110 ARG HBy A 108 TYR HE% 1.0 . 5.08 1118 952 A 100 GLU H A 100 GLU HBx 1.0 . 3.91 1119 953 A 110 ARG HBx A 110 ARG HDx 1.0 . 3.92 1120 953 A 110 ARG HDy A 110 ARG HBx 1.0 . 3.92 1121 954 A 108 TYR HE% A 110 ARG HBx 1.0 . 5.10 1122 955 A 24 VAL H A 25 HIS HBy 1.0 . 4.67 1123 956 A 24 VAL HG2% A 25 HIS HBy 1.0 . 5.39 1124 957 A 25 HIS HBy A 22 GLU HA 1.0 . 4.19 1125 958 A 25 HIS HBy A 24 VAL HB 1.0 . 4.65 1126 959 A 24 VAL HG2% A 25 HIS HBx 1.0 . 5.32 1127 960 A 25 HIS H A 25 HIS HBx 1.0 . 3.59 1128 961 A 106 GLU H A 106 GLU HBx 1.0 . 3.41 1129 961 A 106 GLU H A 106 GLU HBy 1.0 . 3.41 1130 962 A 105 PRO HA A 106 GLU HBx 1.0 . 4.07 1131 962 A 106 GLU HBy A 105 PRO HA 1.0 . 4.07 1132 963 A 37 ASN HBx A 34 GLN HBx 1.0 . 4.99 1133 964 A 106 GLU HBx A 106 GLU HGx 1.0 . 2.70 1134 964 A 106 GLU HBy A 106 GLU HGx 1.0 . 2.70 1135 964 A 106 GLU HGy A 106 GLU HBx 1.0 . 2.70 1136 964 A 106 GLU HGy A 106 GLU HBy 1.0 . 2.70 1137 965 A 83 ARG H A 83 ARG HGy 1.0 . 4.89 1138 966 A 73 HIS H A 72 GLU HBx 1.0 . 4.76 1139 967 A 80 LEU HD2% A 76 ILE HG1y 1.0 . 4.99 1140 968 A 76 ILE H A 76 ILE HG1y 1.0 . 4.54 1141 969 A 83 ARG H A 83 ARG HGx 1.0 . 4.97 1142 970 A 76 ILE H A 76 ILE HG1x 1.0 . 4.72 1143 971 A 5 GLU H A 5 GLU HBy 1.0 . 3.61 1144 972 A 48 LEU HD2% A 56 GLN HBy 1.0 . 4.25 1145 973 A 48 LEU HD1% A 56 GLN HBy 1.0 . 4.10 1146 974 A 9 GLU H A 9 GLU HBx 1.0 . 3.02 1147 974 A 9 GLU HBy A 9 GLU H 1.0 . 3.02 1148 975 A 5 GLU H A 5 GLU HBx 1.0 . 4.01 1149 976 A 85 GLU H A 85 GLU HBy 1.0 . 3.68 1150 977 A 48 LEU HD1% A 56 GLN HBx 1.0 . 4.78 1151 978 A 85 GLU H A 85 GLU HBx 1.0 . 3.63 1152 979 A 30 LEU HD1% A 8 LYS HDy 1.0 . 5.29 1153 980 A 39 VAL HG2% A 8 LYS HDy 1.0 . 4.62 1154 981 A 16 LYS H A 16 LYS HDx 1.0 . 3.96 1155 981 A 16 LYS H A 16 LYS HDy 1.0 . 3.96 1156 982 A 15 PHE HD% A 16 LYS HDx 1.0 . 4.61 1157 982 A 15 PHE HD% A 16 LYS HDy 1.0 . 4.61 1158 983 A 16 LYS HBy A 16 LYS HDx 1.0 . 3.16 1159 983 A 16 LYS HBx A 16 LYS HDx 1.0 . 3.16 1160 983 A 16 LYS HDy A 16 LYS HBx 1.0 . 3.16 1161 983 A 16 LYS HBy A 16 LYS HDy 1.0 . 3.16 1162 984 A 16 LYS HGx A 16 LYS HDx 1.0 . 2.66 1163 984 A 16 LYS HDy A 16 LYS HGx 1.0 . 2.66 1164 985 A 76 ILE HA A 76 ILE HG1y 1.0 . 3.70 1165 986 A 76 ILE HG2% A 76 ILE HG1y 1.0 . 3.63 1166 987 A 77 ARG H A 76 ILE HG1y 1.0 . 5.50 1167 988 A 79 LYS H A 79 LYS HDx 1.0 . 4.56 1168 988 A 79 LYS H A 79 LYS HDy 1.0 . 4.56 1169 989 A 78 SER HBx A 79 LYS HDx 1.0 . 5.50 1170 989 A 78 SER HBy A 79 LYS HDx 1.0 . 5.50 1171 989 A 79 LYS HDy A 78 SER HBx 1.0 . 5.50 1172 989 A 78 SER HBy A 79 LYS HDy 1.0 . 5.50 1173 990 A 8 LYS HA A 8 LYS HDx 1.0 . 4.87 1174 991 A 8 LYS HDx A 5 GLU HGx 1.0 . 5.31 1175 991 A 5 GLU HGy A 8 LYS HDx 1.0 . 5.31 1176 992 A 39 VAL HG2% A 8 LYS HDx 1.0 . 4.24 1177 993 A 30 LEU HD1% A 8 LYS HDx 1.0 . 4.98 1178 994 A 40 GLY H A 8 LYS HDx 1.0 . 5.05 1179 995 A 66 ARG H A 66 ARG HBy 1.0 . 3.55 1180 996 A 66 ARG HBy A 67 TYR HE% 1.0 . 5.14 1181 997 A 86 LEU HD2% A 85 GLU HBy 1.0 . 4.38 1182 998 A 88 GLN H A 88 GLN HBx 1.0 . 3.71 1183 999 A 6 LYS HGx A 6 LYS HDx 1.0 . 2.93 1184 999 A 6 LYS HGx A 6 LYS HDy 1.0 . 2.93 1185 1000 A 6 LYS H A 6 LYS HDx 1.0 . 4.33 1186 1000 A 6 LYS H A 6 LYS HDy 1.0 . 4.33 1187 1001 A 6 LYS HA A 6 LYS HDx 1.0 . 3.59 1188 1001 A 6 LYS HA A 6 LYS HDy 1.0 . 3.59 1189 1002 A 31 ILE H A 31 ILE HG1x 1.0 . 4.49 1190 1003 A 10 GLN HE2x A 10 GLN HBx 1.0 . 4.79 1191 1003 A 10 GLN HBy A 10 GLN HE2x 1.0 . 4.79 1192 1004 A 63 GLN H A 63 GLN HBy 1.0 . 3.69 1193 1005 A 41 TYR HD% A 63 GLN HBy 1.0 . 4.93 1194 1006 A 63 GLN HBy A 60 MET HA 1.0 . 4.32 1195 1007 A 63 GLN HBy A 41 TYR HE% 1.0 . 4.87 1196 1008 A 19 LEU HD2% A 22 GLU HBx 1.0 . 4.48 1197 1008 A 19 LEU HD2% A 22 GLU HBy 1.0 . 4.48 1198 1009 A 22 GLU H A 22 GLU HBx 1.0 . 4.19 1199 1009 A 22 GLU H A 22 GLU HBy 1.0 . 4.19 1200 1010 A 84 LEU HD1% A 88 GLN HBx 1.0 . 5.16 1201 1011 A 89 GLY H A 88 GLN HBx 1.0 . 4.39 1202 1012 A 22 GLU H A 21 ARG HBy 1.0 . 4.18 1203 1013 A 62 GLN HBx A 62 GLN HE2y 1.0 . 4.87 1204 1014 A 21 ARG H A 21 ARG HBy 1.0 . 3.99 1205 1015 A 62 GLN HE2x A 62 GLN HBx 1.0 . 4.68 1206 1016 A 51 LEU HD1% A 21 ARG HBy 1.0 . 5.11 1207 1017 A 63 GLN H A 62 GLN HBx 1.0 . 4.41 1208 1018 A 21 ARG HBx A 21 ARG HDx 1.0 . 4.15 1209 1018 A 21 ARG HBx A 21 ARG HDy 1.0 . 4.15 1210 1019 A 22 GLU H A 21 ARG HBx 1.0 . 4.27 1211 1020 A 21 ARG H A 21 ARG HBx 1.0 . 3.92 1212 1021 A 21 ARG HBx A 51 LEU HD1% 1.0 . 4.83 1213 1022 A 51 LEU HD2% A 21 ARG HBx 1.0 . 4.65 1214 1023 A 63 GLN HBx A 64 GLY HAx 1.0 . 4.69 1215 1023 A 64 GLY HAy A 63 GLN HBx 1.0 . 4.69 1216 1024 A 63 GLN H A 63 GLN HBx 1.0 . 3.85 1217 1025 A 63 GLN HBx A 41 TYR HE% 1.0 . 4.80 1218 1026 A 61 CYS HBy A 62 GLN H 1.0 . 4.34 1219 1027 A 61 CYS HBy A 45 ALA HB% 1.0 . 5.29 1220 1028 A 81 GLN HBy A 65 LEU HD2% 1.0 . 5.49 1221 1029 A 82 TYR H A 81 GLN HBy 1.0 . 4.47 1222 1030 A 81 GLN HBy A 84 LEU HD2% 1.0 . 5.22 1223 1031 A 29 GLN H A 29 GLN HBy 1.0 . 3.54 1224 1032 A 62 GLN H A 62 GLN HBy 1.0 . 3.80 1225 1033 A 63 GLN H A 62 GLN HBy 1.0 . 4.92 1226 1034 A 59 GLN H A 59 GLN HBx 1.0 . 3.42 1227 1034 A 59 GLN H A 59 GLN HBy 1.0 . 3.42 1228 1035 A 81 GLN HBx A 82 TYR HBy 1.0 . 4.90 1229 1036 A 81 GLN HBx A 81 GLN H 1.0 . 3.75 1230 1037 A 7 GLN H A 7 GLN HBy 1.0 . 4.01 1231 1038 A 30 LEU HD1% A 7 GLN HBy 1.0 . 4.20 1232 1039 A 7 GLN HBx A 30 LEU HD1% 1.0 . 4.17 1233 1040 A 65 LEU H A 65 LEU HG 1.0 . 4.18 1234 1041 A 80 LEU HBy A 65 LEU HG 1.0 . 4.61 1235 1042 A 80 LEU HD2% A 65 LEU HG 1.0 . 4.01 1236 1043 A 80 LEU H A 65 LEU HG 1.0 . 4.19 1237 1044 A 53 GLU HBy A 54 TYR H 1.0 . 4.89 1238 1045 A 53 GLU HBy A 48 LEU HD1% 1.0 . 4.39 1239 1046 A 94 VAL HG2% A 97 PRO HGx 1.0 . 4.51 1240 1046 A 94 VAL HG1% A 97 PRO HGx 1.0 . 4.51 1241 1046 A 97 PRO HGy A 94 VAL HG1% 1.0 . 4.51 1242 1046 A 94 VAL HG2% A 97 PRO HGy 1.0 . 4.51 1243 1047 A 15 PHE HE% A 50 LYS HDy 1.0 . 4.09 1244 1048 A 15 PHE HE% A 50 LYS HDx 1.0 . 4.24 1245 1049 A 48 LEU HD2% A 60 MET HGy 1.0 . 4.00 1246 1050 A 48 LEU HD2% A 57 ALA HB% 1.0 . 3.64 1247 1051 A 26 CYS HBy A 11 GLY HAx 1.0 . 4.34 1248 1052 A 67 TYR HD% A 36 GLN HBy 1.0 . 4.70 1249 1053 A 34 GLN HA A 35 PRO HGx 1.0 . 4.40 1250 1054 A 22 GLU H A 21 ARG HGx 1.0 . 4.84 1251 1054 A 22 GLU H A 21 ARG HGy 1.0 . 4.84 1252 1055 A 21 ARG H A 21 ARG HGx 1.0 . 4.60 1253 1055 A 21 ARG H A 21 ARG HGy 1.0 . 4.60 1254 1056 A 68 THR HB A 77 ARG HGy 1.0 . 4.85 1255 1057 A 38 PRO HGy A 73 HIS HD2 1.0 . 4.97 1256 1058 A 68 THR HG2% A 38 PRO HGy 1.0 . 3.73 1257 1059 A 66 ARG H A 66 ARG HGy 1.0 . 3.79 1258 1060 A 108 TYR HD% A 110 ARG HGx 1.0 . 5.27 1259 1060 A 108 TYR HD% A 110 ARG HGy 1.0 . 5.27 1260 1061 A 104 LEU HG A 104 LEU HA 1.0 . 4.03 1261 1062 A 104 LEU H A 104 LEU HG 1.0 . 3.78 1262 1063 A 77 ARG HGx A 78 SER HA 1.0 . 4.91 1263 1064 A 84 LEU H A 84 LEU HG 1.0 . 4.35 1264 1065 A 85 GLU H A 84 LEU HG 1.0 . 4.87 1265 1066 A 84 LEU HG A 62 GLN HE2y 1.0 . 5.09 1266 1067 A 50 LYS HA A 50 LYS HDx 1.0 . 3.68 1267 1068 A 66 ARG HGx A 63 GLN HA 1.0 . 4.46 1268 1069 A 66 ARG HGx A 67 TYR H 1.0 . 4.78 1269 1070 A 66 ARG HGx A 66 ARG HA 1.0 . 3.95 1270 1071 A 80 LEU H A 80 LEU HD2% 1.0 . 4.81 1271 1072 A 65 LEU H A 80 LEU HD2% 1.0 . 3.74 1272 1073 A 66 ARG H A 80 LEU HD2% 1.0 . 4.79 1273 1074 A 80 LEU HD2% A 41 TYR HBy 1.0 . 3.44 1274 1075 A 80 LEU HD2% A 41 TYR HD% 1.0 . 4.89 1275 1076 A 56 GLN HBx A 48 LEU HD2% 1.0 . 3.89 1276 1077 A 23 ALA HB% A 26 CYS HBy 1.0 . 5.31 1277 1078 A 27 TYR H A 26 CYS HBy 1.0 . 3.91 1278 1079 A 26 CYS H A 26 CYS HBy 1.0 . 3.93 1279 1080 A 26 CYS H A 26 CYS HBx 1.0 . 4.01 1280 1081 A 48 LEU H A 48 LEU HG 1.0 . 4.36 1281 1082 A 49 ILE H A 48 LEU HG 1.0 . 5.01 1282 1083 A 57 ALA HB% A 48 LEU HG 1.0 . 5.05 1283 1084 A 17 GLN HBx A 19 LEU HG 1.0 . 4.85 1284 1085 A 19 LEU HG A 17 GLN HGy 1.0 . 5.27 1285 1086 A 84 LEU HD2% A 81 GLN HE2x 1.0 . 4.24 1286 1087 A 84 LEU HD2% A 62 GLN HE2y 1.0 . 4.15 1287 1088 A 84 LEU HD2% A 81 GLN HA 1.0 . 3.35 1288 1089 A 84 LEU HD2% A 84 LEU HBy 1.0 . 3.62 1289 1090 A 84 LEU HD2% A 61 CYS HA 1.0 . 4.70 1290 1091 A 19 LEU HD2% A 20 TYR H 1.0 . 5.05 1291 1092 A 19 LEU HD2% A 17 GLN H 1.0 . 5.04 1292 1093 A 19 LEU HD2% A 19 LEU HA 1.0 . 4.27 1293 1094 A 30 LEU HBy A 30 LEU HD2% 1.0 . 4.19 1294 1095 A 30 LEU HD2% A 30 LEU H 1.0 . 4.31 1295 1096 A 16 LYS H A 16 LYS HGy 1.0 . 3.98 1296 1097 A 16 LYS HGy A 16 LYS HEx 1.0 . 3.97 1297 1097 A 16 LYS HEy A 16 LYS HGy 1.0 . 3.97 1298 1098 A 16 LYS H A 16 LYS HGx 1.0 . 4.36 1299 1099 A 84 LEU HD1% A 88 GLN H 1.0 . 5.33 1300 1100 A 84 LEU HD1% A 62 GLN HE2x 1.0 . 4.35 1301 1101 A 84 LEU HD1% A 62 GLN HE2y 1.0 . 4.57 1302 1102 A 84 LEU HD1% A 61 CYS HBy 1.0 . 4.31 1303 1103 A 30 LEU HD2% A 8 LYS H 1.0 . 4.63 1304 1104 A 6 LYS H A 6 LYS HGy 1.0 . 4.44 1305 1105 A 79 LYS H A 79 LYS HGy 1.0 . 4.62 1306 1106 A 79 LYS HGy A 79 LYS HA 1.0 . 4.01 1307 1107 A 79 LYS HGy A 79 LYS HEx 1.0 . 3.89 1308 1107 A 79 LYS HEy A 79 LYS HGy 1.0 . 3.89 1309 1108 A 76 ILE HG2% A 79 LYS HGy 1.0 . 5.40 1310 1109 A 7 GLN H A 6 LYS HGx 1.0 . 4.81 1311 1110 A 79 LYS H A 79 LYS HGx 1.0 . 4.62 1312 1111 A 79 LYS HGx A 76 ILE HG1x 1.0 . 5.15 1313 1112 A 48 LEU HD2% A 24 VAL HG1% 1.0 . 4.40 1314 1113 A 48 LEU H A 24 VAL HG1% 1.0 . 4.62 1315 1114 A 24 VAL HG1% A 24 VAL H 1.0 . 3.81 1316 1115 A 24 VAL HG1% A 27 TYR HD% 1.0 . 5.17 1317 1116 A 24 VAL HG1% A 25 HIS H 1.0 . 4.71 1318 1117 A 81 GLN H A 65 LEU HD2% 1.0 . 5.15 1319 1118 A 105 PRO HDx A 104 LEU HD1% 1.0 . 4.50 1320 1119 A 104 LEU HBy A 104 LEU HD1% 1.0 . 3.32 1321 1120 A 108 TYR HE% A 104 LEU HD1% 1.0 . 4.30 1322 1121 A 51 LEU HD2% A 21 ARG HA 1.0 . 3.62 1323 1122 A 51 LEU HD2% A 51 LEU H 1.0 . 4.42 1324 1123 A 15 PHE HE% A 50 LYS HGy 1.0 . 4.57 1325 1124 A 80 LEU HD1% A 61 CYS H 1.0 . 5.14 1326 1125 A 80 LEU HD1% A 42 SER HBx 1.0 . 5.06 1327 1126 A 80 LEU HD1% A 65 LEU H 1.0 . 4.61 1328 1127 A 80 LEU HD1% A 60 MET HBy 1.0 . 5.28 1329 1128 A 65 LEU H A 65 LEU HD2% 1.0 . 4.56 1330 1129 A 68 THR H A 65 LEU HD2% 1.0 . 4.89 1331 1130 A 8 LYS H A 8 LYS HGy 1.0 . 4.65 1332 1131 A 30 LEU HD1% A 8 LYS HGy 1.0 . 5.44 1333 1132 A 8 LYS H A 8 LYS HGx 1.0 . 4.56 1334 1133 A 30 LEU HD1% A 8 LYS HGx 1.0 . 5.41 1335 1134 A 21 ARG H A 51 LEU HD1% 1.0 . 4.53 1336 1135 A 51 LEU H A 51 LEU HD1% 1.0 . 4.52 1337 1136 A 20 TYR HBx A 51 LEU HD1% 1.0 . 3.89 1338 1137 A 20 TYR H A 51 LEU HD1% 1.0 . 4.66 1339 1138 A 39 VAL HG1% A 37 ASN HD2y 1.0 . 5.00 1340 1139 A 96 ILE HA A 96 ILE HG12 1.0 . 3.51 1341 1139 A 96 ILE HG13 A 96 ILE HA 1.0 . 3.51 1342 1140 A 17 GLN HE2x A 14 LEU HD1% 1.0 . 5.11 1343 1141 A 104 LEU HD2% A 105 PRO HDy 1.0 . 4.56 1344 1142 A 104 LEU HD2% A 103 GLU HBy 1.0 . 5.04 1345 1143 A 104 LEU HD2% A 108 TYR HE% 1.0 . 5.39 1346 1144 A 19 LEU H A 19 LEU HD1% 1.0 . 4.35 1347 1145 A 17 GLN HBx A 19 LEU HD1% 1.0 . 4.85 1348 1146 A 59 GLN H A 55 THR HG2% 1.0 . 5.02 1349 1147 A 56 GLN H A 55 THR HG2% 1.0 . 4.44 1350 1148 A 74 VAL HG1% A 71 ALA HB% 1.0 . 4.38 1351 1149 A 74 VAL HG1% A 73 HIS HA 1.0 . 5.21 1352 1150 A 77 ARG H A 68 THR HG2% 1.0 . 4.66 1353 1151 A 65 LEU HA A 68 THR HG2% 1.0 . 5.06 1354 1152 A 24 VAL HG2% A 24 VAL H 1.0 . 4.16 1355 1153 A 24 VAL HG2% A 25 HIS HA 1.0 . 4.39 1356 1154 A 24 VAL HG2% A 25 HIS H 1.0 . 4.19 1357 1155 A 70 THR HG2% A 69 SER HBy 1.0 . 4.61 1358 1156 A 33 ALA H A 32 THR HG2% 1.0 . 4.08 1359 1157 A 32 THR HG2% A 33 ALA HB% 1.0 . 4.74 1360 1158 A 32 THR HG2% A 31 ILE HG2% 1.0 . 5.50 1361 1159 A 74 VAL HG1% A 71 ALA HA 1.0 . 3.96 1362 1160 A 48 LEU HD1% A 49 ILE H 1.0 . 4.93 1363 1161 A 48 LEU HD1% A 48 LEU H 1.0 . 4.06 1364 1162 A 30 LEU HD1% A 8 LYS H 1.0 . 4.11 1365 1163 A 29 GLN H A 30 LEU HD1% 1.0 . 4.46 1366 1164 A 54 TYR H A 91 VAL HG1% 1.0 . 4.13 1367 1165 A 54 TYR HBx A 91 VAL HG1% 1.0 . 4.07 1368 1166 A 90 ALA HB% A 91 VAL HG1% 1.0 . 5.01 1369 1167 A 45 ALA HB% A 46 MET HE% 1.0 . 5.50 1370 1168 A 31 ILE HD1% A 60 MET HE% 1.0 . 5.01 1371 1169 A 74 VAL HG2% A 74 VAL H 1.0 . 3.73 1372 1170 A 75 ALA HB% A 74 VAL HG2% 1.0 . 4.37 1373 1171 A 91 VAL HG2% A 54 TYR HBx 1.0 . 4.80 1374 1172 A 99 VAL H A 99 VAL HG1% 1.0 . 3.45 1375 1172 A 99 VAL H A 99 VAL HG2% 1.0 . 3.45 1376 1173 A 91 VAL HG2% A 54 TYR HD% 1.0 . 4.72 1377 1174 A 87 ALA HB% A 91 VAL HG2% 1.0 . 4.23 1378 1175 A 97 PRO HBy A 94 VAL HG1% 1.0 . 4.14 1379 1175 A 94 VAL HG2% A 97 PRO HBy 1.0 . 4.14 1380 1176 A 91 VAL HG2% A 90 ALA HB% 1.0 . 4.27 1381 1177 A 30 LEU HD2% A 39 VAL HG2% 1.0 . 3.76 1382 1178 A 61 CYS H A 60 MET HE% 1.0 . 5.01 1383 1179 A 60 MET H A 60 MET HE% 1.0 . 3.82 1384 1180 A 60 MET HE% A 63 GLN HBy 1.0 . 3.83 1385 1181 A 60 MET HE% A 63 GLN HBx 1.0 . 4.83 1386 1182 A 59 GLN H A 60 MET HE% 1.0 . 5.35 1387 1183 A 60 MET HGy A 60 MET HE% 1.0 . 3.89 1388 1184 A 60 MET HE% A 63 GLN HGy 1.0 . 3.52 1389 1185 A 45 ALA HB% A 60 MET HE% 1.0 . 5.50 1390 1186 A 48 LEU HD2% A 60 MET HE% 1.0 . 4.91 1391 1187 A 63 GLN H A 60 MET HE% 1.0 . 5.11 1392 1188 A 94 VAL H A 94 VAL HG1% 1.0 . 4.32 1393 1188 A 94 VAL H A 94 VAL HG2% 1.0 . 4.32 1394 1189 A 34 GLN H A 33 ALA HB% 1.0 . 3.55 1395 1190 A 32 THR H A 33 ALA HB% 1.0 . 4.81 1396 1191 A 33 ALA H A 33 ALA HB% 1.0 . 3.13 1397 1192 A 4 PHE HD% A 33 ALA HB% 1.0 . 3.83 1398 1193 A 34 GLN HE2y A 33 ALA HB% 1.0 . 5.45 1399 1194 A 34 GLN HA A 33 ALA HB% 1.0 . 5.20 1400 1195 A 30 LEU HA A 33 ALA HB% 1.0 . 3.61 1401 1196 A 30 LEU HD1% A 33 ALA HB% 1.0 . 4.85 1402 1197 A 47 ALA H A 45 ALA HB% 1.0 . 5.36 1403 1198 A 45 ALA H A 45 ALA HB% 1.0 . 3.21 1404 1199 A 46 MET H A 45 ALA HB% 1.0 . 3.80 1405 1200 A 45 ALA HB% A 41 TYR HBx 1.0 . 3.65 1406 1201 A 60 MET HBy A 45 ALA HB% 1.0 . 4.36 1407 1202 A 47 ALA HB% A 50 LYS HDx 1.0 . 4.59 1408 1203 A 47 ALA H A 47 ALA HB% 1.0 . 3.39 1409 1204 A 15 PHE HD% A 47 ALA HB% 1.0 . 3.56 1410 1205 A 27 TYR HE% A 47 ALA HB% 1.0 . 3.94 1411 1206 A 47 ALA HB% A 44 LYS HA 1.0 . 4.63 1412 1207 A 20 TYR HBy A 47 ALA HB% 1.0 . 4.44 1413 1208 A 51 LEU HD2% A 47 ALA HB% 1.0 . 4.78 1414 1209 A 87 ALA HB% A 88 GLN H 1.0 . 3.77 1415 1210 A 87 ALA HB% A 58 ILE H 1.0 . 3.89 1416 1211 A 89 GLY H A 87 ALA HB% 1.0 . 5.22 1417 1212 A 87 ALA HB% A 54 TYR HD% 1.0 . 3.79 1418 1213 A 87 ALA HB% A 58 ILE HA 1.0 . 4.08 1419 1214 A 87 ALA HB% A 54 TYR HBx 1.0 . 4.88 1420 1215 A 87 ALA HB% A 88 GLN HGy 1.0 . 4.83 1421 1216 A 87 ALA HB% A 58 ILE HG1y 1.0 . 3.71 1422 1217 A 87 ALA HB% A 58 ILE HG2% 1.0 . 3.31 1423 1218 A 87 ALA HB% A 90 ALA HB% 1.0 . 4.56 1424 1219 A 86 LEU H A 87 ALA HB% 1.0 . 4.79 1425 1220 A 87 ALA HB% A 91 VAL H 1.0 . 4.37 1426 1221 A 72 GLU H A 71 ALA HB% 1.0 . 4.74 1427 1222 A 71 ALA HB% A 72 GLU HGx 1.0 . 4.15 1428 1222 A 72 GLU HGy A 71 ALA HB% 1.0 . 4.15 1429 1223 A 74 VAL H A 71 ALA HB% 1.0 . 5.08 1430 1224 A 74 VAL HB A 71 ALA HB% 1.0 . 4.23 1431 1225 A 57 ALA H A 57 ALA HB% 1.0 . 3.12 1432 1226 A 59 GLN H A 57 ALA HB% 1.0 . 5.30 1433 1227 A 57 ALA HB% A 54 TYR HD% 1.0 . 3.90 1434 1228 A 57 ALA HB% A 56 GLN HA 1.0 . 5.06 1435 1229 A 49 ILE HA A 57 ALA HB% 1.0 . 3.73 1436 1230 A 57 ALA HB% A 49 ILE HG2% 1.0 . 3.43 1437 1231 A 77 ARG H A 76 ILE HG2% 1.0 . 3.76 1438 1232 A 76 ILE HG2% A 38 PRO HA 1.0 . 4.03 1439 1233 A 76 ILE HG2% A 77 ARG HA 1.0 . 4.03 1440 1234 A 76 ILE HG2% A 73 HIS HBx 1.0 . 4.39 1441 1235 A 76 ILE HG2% A 38 PRO HBy 1.0 . 4.46 1442 1236 A 76 ILE HG2% A 76 ILE HG1x 1.0 . 3.43 1443 1237 A 76 ILE HG2% A 80 LEU HD2% 1.0 . 3.78 1444 1238 A 76 ILE H A 75 ALA HB% 1.0 . 3.76 1445 1239 A 75 ALA HB% A 79 LYS H 1.0 . 5.03 1446 1240 A 79 LYS H A 76 ILE HG2% 1.0 . 5.17 1447 1241 A 76 ILE HG2% A 73 HIS HBy 1.0 . 4.02 1448 1242 A 76 ILE HG2% A 76 ILE HD1% 1.0 . 3.32 1449 1243 A 75 ALA HB% A 76 ILE HA 1.0 . 4.08 1450 1244 A 49 ILE H A 49 ILE HG2% 1.0 . 3.61 1451 1245 A 50 LYS H A 49 ILE HG2% 1.0 . 4.02 1452 1246 A 49 ILE HG2% A 46 MET HA 1.0 . 4.44 1453 1247 A 48 LEU H A 49 ILE HG2% 1.0 . 5.28 1454 1248 A 23 ALA HB% A 22 GLU H 1.0 . 4.58 1455 1249 A 23 ALA HB% A 15 PHE H 1.0 . 3.94 1456 1250 A 23 ALA HB% A 27 TYR HE% 1.0 . 4.60 1457 1251 A 23 ALA HB% A 20 TYR HA 1.0 . 3.62 1458 1252 A 23 ALA HB% A 15 PHE HBx 1.0 . 3.78 1459 1253 A 23 ALA HB% A 47 ALA HB% 1.0 . 4.16 1460 1254 A 19 LEU HD2% A 23 ALA HB% 1.0 . 4.07 1461 1255 A 49 ILE HG2% A 45 ALA HA 1.0 . 4.18 1462 1256 A 41 TYR HD% A 31 ILE HG2% 1.0 . 4.52 1463 1257 A 31 ILE H A 31 ILE HG2% 1.0 . 3.76 1464 1258 A 31 ILE HG2% A 35 PRO HBy 1.0 . 4.43 1465 1259 A 31 ILE HG1y A 31 ILE HG2% 1.0 . 3.87 1466 1260 A 31 ILE HD1% A 31 ILE HG2% 1.0 . 3.26 1467 1261 A 31 ILE HG1x A 31 ILE HG2% 1.0 . 3.76 1468 1262 A 88 GLN H A 90 ALA HB% 1.0 . 5.30 1469 1263 A 90 ALA H A 90 ALA HB% 1.0 . 2.95 1470 1264 A 54 TYR HBx A 90 ALA HB% 1.0 . 4.97 1471 1265 A 91 VAL HB A 90 ALA HB% 1.0 . 4.65 1472 1266 A 87 ALA H A 90 ALA HB% 1.0 . 4.93 1473 1267 A 89 GLY H A 90 ALA HB% 1.0 . 4.38 1474 1268 A 54 TYR HBy A 90 ALA HB% 1.0 . 4.50 1475 1269 A 58 ILE H A 58 ILE HG2% 1.0 . 4.39 1476 1270 A 58 ILE HG2% A 62 GLN HE2x 1.0 . 3.86 1477 1271 A 58 ILE HG2% A 62 GLN HE2y 1.0 . 4.06 1478 1272 A 84 LEU HD1% A 58 ILE HG2% 1.0 . 3.07 1479 1273 A 88 GLN H A 58 ILE HG2% 1.0 . 5.07 1480 1274 A 32 THR H A 31 ILE HD1% 1.0 . 4.45 1481 1275 A 31 ILE H A 31 ILE HD1% 1.0 . 3.89 1482 1276 A 28 ASP HA A 31 ILE HD1% 1.0 . 3.70 1483 1277 A 28 ASP H A 31 ILE HD1% 1.0 . 5.02 1484 1278 A 31 ILE HD1% A 41 TYR HD% 1.0 . 4.32 1485 1279 A 31 ILE HD1% A 41 TYR H 1.0 . 4.75 1486 1280 A 31 ILE HD1% A 41 TYR HA 1.0 . 3.55 1487 1281 A 31 ILE HD1% A 31 ILE HA 1.0 . 3.95 1488 1282 A 31 ILE HD1% A 60 MET HGy 1.0 . 4.97 1489 1283 A 44 LYS HBx A 31 ILE HD1% 1.0 . 4.35 1490 1284 A 58 ILE HD1% A 62 GLN HE2y 1.0 . 5.50 1491 1285 A 88 GLN H A 58 ILE HD1% 1.0 . 4.62 1492 1286 A 58 ILE H A 58 ILE HD1% 1.0 . 4.04 1493 1287 A 59 GLN H A 58 ILE HD1% 1.0 . 4.39 1494 1288 A 62 GLN HE2x A 58 ILE HD1% 1.0 . 5.24 1495 1289 A 58 ILE HD1% A 55 THR HA 1.0 . 3.27 1496 1290 A 58 ILE HD1% A 58 ILE HA 1.0 . 4.16 1497 1291 A 58 ILE HD1% A 88 GLN HGx 1.0 . 4.16 1498 1292 A 55 THR HG2% A 58 ILE HD1% 1.0 . 4.72 1499 1293 A 84 LEU HD1% A 58 ILE HD1% 1.0 . 3.54 1500 1294 A 87 ALA HB% A 58 ILE HD1% 1.0 . 4.07 1501 1295 A 57 ALA H A 58 ILE HD1% 1.0 . 4.75 1502 1296 A 88 GLN HGy A 58 ILE HD1% 1.0 . 4.30 1503 1297 A 49 ILE HD1% A 49 ILE HB 1.0 . 3.95 1504 1298 A 49 ILE H A 49 ILE HD1% 1.0 . 4.02 1505 1299 A 49 ILE HD1% A 83 ARG HDx 1.0 . 4.12 1506 1299 A 83 ARG HDy A 49 ILE HD1% 1.0 . 4.12 1507 1300 A 49 ILE HA A 49 ILE HD1% 1.0 . 4.87 1508 1301 A 39 VAL H A 76 ILE HD1% 1.0 . 4.72 1509 1302 A 71 ALA HB% A 70 THR HB 1.0 . 5.09 1510 1303 A 12 ASN HD2x A 12 ASN HA 1.0 . 5.49 1511 1304 A 38 PRO HDy A 73 HIS HE1 1.0 . 4.75 1512 1305 A 38 PRO HDx A 73 HIS HE1 1.0 . 5.15 1513 1306 A 12 ASN HD2x A 16 LYS HEx 1.0 . 5.50 1514 1306 A 12 ASN HD2x A 16 LYS HEy 1.0 . 5.50 1515 1307 A 73 HIS HE1 A 72 GLU HGx 1.0 . 5.03 1516 1307 A 72 GLU HGy A 73 HIS HE1 1.0 . 5.03 1517 1308 A 72 GLU HBy A 73 HIS HE1 1.0 . 4.90 1518 1309 A 38 PRO HGy A 73 HIS HE1 1.0 . 4.71 1519 1310 A 38 PRO HGx A 73 HIS HE1 1.0 . 5.27 1520 1311 A 76 ILE HD1% A 73 HIS HE1 1.0 . 5.50 1521 1312 A 25 HIS HE1 A 21 ARG HDx 1.0 . 4.67 1522 1312 A 21 ARG HDy A 25 HIS HE1 1.0 . 4.67 1523 1313 A 24 VAL HB A 25 HIS HE1 1.0 . 5.32 1524 1314 A 31 ILE HG1y A 41 TYR HD% 1.0 . 5.50 1525 1315 A 41 TYR HD% A 41 TYR HA 1.0 . 3.88 1526 1316 A 41 TYR HD% A 64 GLY HAx 1.0 . 4.19 1527 1316 A 64 GLY HAy A 41 TYR HD% 1.0 . 4.19 1528 1317 A 41 TYR HD% A 63 GLN HBx 1.0 . 4.32 1529 1318 A 41 TYR HD% A 45 ALA HB% 1.0 . 5.47 1530 1319 A 80 LEU HD1% A 41 TYR HD% 1.0 . 4.62 1531 1320 A 8 LYS HGx A 4 PHE HE% 1.0 . 5.50 1532 1321 A 53 GLU HA A 56 GLN HE2x 1.0 . 5.30 1533 1322 A 30 LEU HA A 4 PHE HE% 1.0 . 3.51 1534 1323 A 37 ASN HBy A 4 PHE HE% 1.0 . 4.86 1535 1324 A 8 LYS HEx A 4 PHE HE% 1.0 . 5.24 1536 1325 A 30 LEU HBy A 4 PHE HE% 1.0 . 4.27 1537 1326 A 34 GLN HGx A 4 PHE HE% 1.0 . 4.22 1538 1327 A 8 LYS HDy A 4 PHE HE% 1.0 . 5.04 1539 1328 A 8 LYS HDx A 4 PHE HE% 1.0 . 4.87 1540 1329 A 30 LEU HBx A 4 PHE HE% 1.0 . 4.28 1541 1330 A 39 VAL HG1% A 4 PHE HE% 1.0 . 4.82 1542 1331 A 39 VAL HG2% A 4 PHE HE% 1.0 . 3.90 1543 1332 A 30 LEU HD2% A 4 PHE HE% 1.0 . 4.46 1544 1333 A 30 LEU HD1% A 4 PHE HE% 1.0 . 4.15 1545 1334 A 49 ILE HG1x A 15 PHE HZ 1.0 . 5.50 1546 1335 A 20 TYR HE% A 15 PHE HE% 1.0 . 4.17 1547 1336 A 15 PHE HE% A 50 LYS HGx 1.0 . 4.02 1548 1337 A 15 PHE HD% A 16 LYS HGx 1.0 . 4.37 1549 1338 A 49 ILE HG1x A 15 PHE HE% 1.0 . 5.15 1550 1339 A 15 PHE HD% A 15 PHE HA 1.0 . 3.60 1551 1340 A 15 PHE HD% A 16 LYS HBx 1.0 . 4.73 1552 1340 A 15 PHE HD% A 16 LYS HBy 1.0 . 4.73 1553 1341 A 23 ALA HB% A 15 PHE HD% 1.0 . 3.87 1554 1342 A 33 ALA HA A 34 GLN HE2x 1.0 . 5.50 1555 1343 A 68 THR HA A 73 HIS HD2 1.0 . 3.45 1556 1344 A 73 HIS HD2 A 70 THR HB 1.0 . 4.87 1557 1345 A 73 HIS HBy A 73 HIS HD2 1.0 . 3.91 1558 1346 A 70 THR HG2% A 73 HIS HD2 1.0 . 4.63 1559 1347 A 68 THR HG2% A 73 HIS HD2 1.0 . 3.80 1560 1348 A 82 TYR HD% A 82 TYR HA 1.0 . 3.32 1561 1349 A 82 TYR HD% A 83 ARG HA 1.0 . 4.65 1562 1350 A 82 TYR HD% A 83 ARG HDx 1.0 . 4.41 1563 1350 A 83 ARG HDy A 82 TYR HD% 1.0 . 4.41 1564 1351 A 4 PHE HD% A 5 GLU HGx 1.0 . 4.24 1565 1351 A 4 PHE HD% A 5 GLU HGy 1.0 . 4.24 1566 1352 A 4 PHE HD% A 34 GLN HGx 1.0 . 3.71 1567 1353 A 7 GLN HE2x A 7 GLN HBx 1.0 . 4.74 1568 1354 A 4 PHE HD% A 39 VAL HG2% 1.0 . 4.34 1569 1355 A 86 LEU HD2% A 82 TYR HD% 1.0 . 3.97 1570 1356 A 4 PHE HD% A 30 LEU HD2% 1.0 . 4.99 1571 1357 A 4 PHE HD% A 30 LEU HD1% 1.0 . 4.12 1572 1358 A 108 TYR HD% A 108 TYR HA 1.0 . 3.64 1573 1359 A 108 TYR HD% A 111 SER HA 1.0 . 5.50 1574 1360 A 108 TYR HD% A 110 ARG HA 1.0 . 5.05 1575 1361 A 108 TYR HD% A 107 GLY HAy 1.0 . 5.35 1576 1362 A 108 TYR HD% A 105 PRO HDy 1.0 . 5.50 1577 1363 A 108 TYR HD% A 109 ASP HBx 1.0 . 5.50 1578 1364 A 108 TYR HD% A 105 PRO HGx 1.0 . 4.70 1579 1364 A 108 TYR HD% A 105 PRO HGy 1.0 . 4.70 1580 1365 A 108 TYR HD% A 104 LEU HBx 1.0 . 4.86 1581 1366 A 108 TYR HD% A 104 LEU HD1% 1.0 . 4.43 1582 1367 A 104 LEU HD2% A 108 TYR HD% 1.0 . 4.87 1583 1368 A 27 TYR HA A 29 GLN HE2x 1.0 . 3.92 1584 1369 A 40 GLY HAy A 4 PHE HZ 1.0 . 3.68 1585 1370 A 37 ASN HBy A 4 PHE HZ 1.0 . 5.11 1586 1371 A 25 HIS HD2 A 25 HIS HBx 1.0 . 3.80 1587 1372 A 30 LEU HG A 29 GLN HE2x 1.0 . 4.65 1588 1373 A 39 VAL HG1% A 4 PHE HZ 1.0 . 4.99 1589 1374 A 30 LEU HD2% A 29 GLN HE2x 1.0 . 4.79 1590 1375 A 30 LEU HD1% A 29 GLN HE2x 1.0 . 4.76 1591 1376 A 17 GLN HE2y A 17 GLN HA 1.0 . 5.50 1592 1377 A 54 TYR HD% A 91 VAL HG1% 1.0 . 4.00 1593 1378 A 54 TYR HD% A 49 ILE HG2% 1.0 . 3.47 1594 1379 A 19 LEU HD2% A 17 GLN HE2y 1.0 . 4.20 1595 1380 A 54 TYR HD% A 90 ALA HB% 1.0 . 3.91 1596 1381 A 37 ASN HA A 67 TYR HD% 1.0 . 5.06 1597 1382 A 67 TYR HA A 67 TYR HD% 1.0 . 3.30 1598 1383 A 67 TYR HD% A 38 PRO HA 1.0 . 4.32 1599 1384 A 36 GLN HE2y A 36 GLN HGx 1.0 . 3.97 1600 1384 A 36 GLN HGy A 36 GLN HE2y 1.0 . 3.97 1601 1385 A 67 TYR HD% A 66 ARG HBy 1.0 . 5.33 1602 1386 A 95 GLN HE2y A 93 SER HBx 1.0 . 3.38 1603 1386 A 95 GLN HE2y A 93 SER HBy 1.0 . 3.38 1604 1387 A 12 ASN HD2y A 12 ASN HBx 1.0 . 3.95 1605 1388 A 95 GLN HBx A 95 GLN HE2y 1.0 . 4.07 1606 1389 A 95 GLN HE2y A 93 SER HA 1.0 . 5.50 1607 1390 A 54 TYR HE% A 49 ILE HG2% 1.0 . 3.25 1608 1391 A 90 ALA HB% A 54 TYR HE% 1.0 . 3.74 1609 1392 A 15 PHE HD% A 20 TYR HD% 1.0 . 3.68 1610 1393 A 20 TYR HD% A 51 LEU HA 1.0 . 3.92 1611 1394 A 20 TYR HD% A 20 TYR HA 1.0 . 3.36 1612 1395 A 20 TYR HD% A 15 PHE HA 1.0 . 3.92 1613 1396 A 20 TYR HD% A 47 ALA HB% 1.0 . 4.32 1614 1397 A 23 ALA HB% A 20 TYR HD% 1.0 . 4.18 1615 1398 A 20 TYR HD% A 50 LYS HBy 1.0 . 5.11 1616 1399 A 29 GLN HE2y A 8 LYS HGx 1.0 . 5.50 1617 1400 A 20 TYR HD% A 51 LEU HD1% 1.0 . 3.95 1618 1401 A 60 MET HA A 41 TYR HE% 1.0 . 4.51 1619 1402 A 38 PRO HA A 41 TYR HE% 1.0 . 3.91 1620 1403 A 41 TYR HE% A 64 GLY HAx 1.0 . 4.32 1621 1403 A 64 GLY HAy A 41 TYR HE% 1.0 . 4.32 1622 1404 A 31 ILE HG1y A 41 TYR HE% 1.0 . 5.50 1623 1405 A 31 ILE HG2% A 41 TYR HE% 1.0 . 3.93 1624 1406 A 31 ILE HD1% A 41 TYR HE% 1.0 . 4.65 1625 1407 A 31 ILE HG1x A 41 TYR HE% 1.0 . 5.30 1626 1408 A 83 ARG HA A 82 TYR HE% 1.0 . 5.39 1627 1409 A 82 TYR HE% A 83 ARG HDx 1.0 . 4.90 1628 1409 A 83 ARG HDy A 82 TYR HE% 1.0 . 4.90 1629 1410 A 82 TYR HE% A 79 LYS HEx 1.0 . 5.27 1630 1410 A 79 LYS HEy A 82 TYR HE% 1.0 . 5.27 1631 1411 A 86 LEU HD1% A 82 TYR HE% 1.0 . 4.40 1632 1412 A 86 LEU HD2% A 82 TYR HE% 1.0 . 3.38 1633 1413 A 86 LEU HG A 82 TYR HE% 1.0 . 4.81 1634 1414 A 27 TYR HD% A 8 LYS HGy 1.0 . 5.50 1635 1415 A 27 TYR HD% A 8 LYS HBx 1.0 . 4.96 1636 1416 A 27 TYR HD% A 8 LYS HGx 1.0 . 4.72 1637 1417 A 27 TYR HD% A 30 LEU HD2% 1.0 . 4.44 1638 1418 A 27 TYR HD% A 30 LEU HG 1.0 . 5.50 1639 1419 A 27 TYR HD% A 31 ILE HD1% 1.0 . 5.50 1640 1420 A 41 TYR HD% A 67 TYR HE% 1.0 . 4.81 1641 1421 A 67 TYR HE% A 41 TYR HE% 1.0 . 3.98 1642 1422 A 63 GLN HA A 67 TYR HE% 1.0 . 4.66 1643 1423 A 27 TYR HE% A 8 LYS HA 1.0 . 4.08 1644 1424 A 27 TYR HE% A 24 VAL HA 1.0 . 4.39 1645 1425 A 36 GLN HA A 67 TYR HE% 1.0 . 3.59 1646 1426 A 66 ARG HDy A 67 TYR HE% 1.0 . 4.73 1647 1427 A 36 GLN HBy A 67 TYR HE% 1.0 . 4.19 1648 1428 A 66 ARG HBx A 67 TYR HE% 1.0 . 4.44 1649 1429 A 27 TYR HE% A 30 LEU HD2% 1.0 . 5.07 1650 1430 A 27 TYR HE% A 12 ASN HA 1.0 . 4.93 1651 1431 A 24 VAL HG1% A 27 TYR HE% 1.0 . 5.50 1652 1432 A 15 PHE HD% A 20 TYR HE% 1.0 . 3.83 1653 1433 A 20 TYR HE% A 51 LEU HA 1.0 . 4.57 1654 1434 A 20 TYR HE% A 50 LYS HA 1.0 . 4.97 1655 1435 A 20 TYR HE% A 15 PHE HA 1.0 . 4.33 1656 1436 A 20 TYR HE% A 47 ALA HB% 1.0 . 5.35 1657 1437 A 20 TYR HE% A 50 LYS HDx 1.0 . 5.18 1658 1438 A 20 TYR HE% A 50 LYS HBy 1.0 . 4.98 1659 1439 A 20 TYR HE% A 51 LEU HD1% 1.0 . 5.10 1660 1440 A 20 TYR HE% A 50 LYS HGx 1.0 . 4.29 1661 1441 A 51 LEU HD2% A 20 TYR HE% 1.0 . 5.50 1662 1442 A 50 LYS HBx A 20 TYR HE% 1.0 . 4.64 1663 1443 A 37 ASN HA A 73 HIS HE1 1.0 . 5.50 1664 1444 A 37 ASN HA A 67 TYR HBx 1.0 . 4.70 1665 1445 A 37 ASN HA A 38 PRO HGy 1.0 . 4.42 1666 1446 A 39 VAL HG1% A 37 ASN HA 1.0 . 5.38 1667 1447 A 37 ASN HA A 38 PRO HA 1.0 . 4.89 1668 1448 A 73 HIS HA A 73 HIS HE1 1.0 . 5.50 1669 1449 A 74 VAL HA A 73 HIS HA 1.0 . 5.24 1670 1450 A 73 HIS HA A 72 GLU HBx 1.0 . 5.50 1671 1451 A 73 HIS HA A 76 ILE HD1% 1.0 . 5.07 1672 1452 A 67 TYR HA A 66 ARG HA 1.0 . 5.28 1673 1453 A 67 TYR HA A 38 PRO HDx 1.0 . 5.24 1674 1454 A 67 TYR HA A 68 THR HG2% 1.0 . 5.00 1675 1455 A 34 GLN HA A 4 PHE HE% 1.0 . 5.03 1676 1456 A 34 GLN HA A 34 GLN HGx 1.0 . 4.15 1677 1457 A 34 GLN HA A 35 PRO HBy 1.0 . 5.16 1678 1458 A 41 TYR HD% A 35 PRO HA 1.0 . 5.50 1679 1459 A 41 TYR HE% A 35 PRO HA 1.0 . 4.34 1680 1460 A 31 ILE HA A 35 PRO HA 1.0 . 3.82 1681 1461 A 31 ILE HB A 35 PRO HA 1.0 . 5.40 1682 1462 A 31 ILE HG1y A 35 PRO HA 1.0 . 5.01 1683 1463 A 31 ILE HG2% A 35 PRO HA 1.0 . 3.88 1684 1464 A 31 ILE HD1% A 35 PRO HA 1.0 . 5.49 1685 1465 A 31 ILE HG1x A 35 PRO HA 1.0 . 5.50 1686 1466 A 35 PRO HA A 36 GLN HGx 1.0 . 5.05 1687 1466 A 36 GLN HGy A 35 PRO HA 1.0 . 5.05 1688 1467 A 60 MET HA A 41 TYR HBy 1.0 . 5.43 1689 1468 A 60 MET HA A 60 MET HGx 1.0 . 3.95 1690 1469 A 60 MET HA A 63 GLN HGy 1.0 . 4.67 1691 1470 A 63 GLN HBx A 60 MET HA 1.0 . 4.49 1692 1471 A 80 LEU HD1% A 60 MET HA 1.0 . 5.48 1693 1472 A 68 THR HB A 77 ARG HDx 1.0 . 3.61 1694 1472 A 68 THR HB A 77 ARG HDy 1.0 . 3.61 1695 1473 A 67 TYR HA A 68 THR HA 1.0 . 5.50 1696 1474 A 38 PRO HA A 41 TYR HBy 1.0 . 4.66 1697 1475 A 68 THR HA A 73 HIS HBy 1.0 . 3.40 1698 1476 A 68 THR HA A 73 HIS HBx 1.0 . 3.48 1699 1477 A 68 THR HB A 77 ARG HA 1.0 . 4.08 1700 1478 A 68 THR HB A 77 ARG HBx 1.0 . 3.76 1701 1479 A 80 LEU HD2% A 38 PRO HA 1.0 . 4.37 1702 1480 A 13 SER HA A 12 ASN HA 1.0 . 5.50 1703 1481 A 15 PHE HD% A 12 ASN HA 1.0 . 4.15 1704 1482 A 67 TYR HBy A 38 PRO HA 1.0 . 3.87 1705 1483 A 12 ASN HA A 15 PHE HBy 1.0 . 3.85 1706 1484 A 15 PHE HBx A 12 ASN HA 1.0 . 3.80 1707 1485 A 69 SER HBy A 69 SER HA 1.0 . 2.93 1708 1486 A 109 ASP HA A 108 TYR HD% 1.0 . 4.85 1709 1487 A 109 ASP HA A 108 TYR HBx 1.0 . 5.50 1710 1487 A 109 ASP HA A 108 TYR HBy 1.0 . 5.50 1711 1488 A 28 ASP HA A 31 ILE HG1x 1.0 . 4.79 1712 1489 A 53 GLU HA A 53 GLU HGx 1.0 . 3.39 1713 1490 A 104 LEU HD2% A 104 LEU HA 1.0 . 3.39 1714 1491 A 30 LEU HD2% A 27 TYR HA 1.0 . 3.81 1715 1492 A 53 GLU HA A 53 GLU HGy 1.0 . 3.38 1716 1493 A 30 LEU HD1% A 27 TYR HA 1.0 . 4.61 1717 1494 A 25 HIS HA A 28 ASP HBx 1.0 . 3.71 1718 1495 A 25 HIS HA A 24 VAL HB 1.0 . 4.79 1719 1496 A 97 PRO HA A 94 VAL HG1% 1.0 . 3.35 1720 1496 A 97 PRO HA A 94 VAL HG2% 1.0 . 3.35 1721 1497 A 100 GLU HA A 100 GLU HGx 1.0 . 3.62 1722 1497 A 100 GLU HGy A 100 GLU HA 1.0 . 3.62 1723 1498 A 19 LEU HG A 19 LEU HA 1.0 . 3.72 1724 1499 A 108 TYR HE% A 111 SER HA 1.0 . 4.12 1725 1500 A 96 ILE HA A 96 ILE HG2% 1.0 . 3.48 1726 1501 A 78 SER HA A 78 SER HBx 1.0 . 2.86 1727 1501 A 78 SER HBy A 78 SER HA 1.0 . 2.86 1728 1502 A 81 GLN HBy A 78 SER HA 1.0 . 3.55 1729 1503 A 81 GLN HBx A 78 SER HA 1.0 . 3.48 1730 1504 A 96 ILE HA A 94 VAL HG1% 1.0 . 5.23 1731 1504 A 94 VAL HG2% A 96 ILE HA 1.0 . 5.23 1732 1505 A 74 VAL HA A 75 ALA HA 1.0 . 5.03 1733 1506 A 74 VAL HG1% A 75 ALA HA 1.0 . 4.51 1734 1507 A 74 VAL HG2% A 75 ALA HA 1.0 . 3.90 1735 1508 A 12 ASN HBx A 13 SER HA 1.0 . 5.12 1736 1509 A 12 ASN HBy A 13 SER HA 1.0 . 5.50 1737 1510 A 13 SER HA A 16 LYS HEx 1.0 . 4.12 1738 1510 A 13 SER HA A 16 LYS HEy 1.0 . 4.12 1739 1511 A 17 GLN HGy A 13 SER HA 1.0 . 5.36 1740 1512 A 13 SER HA A 17 GLN HGx 1.0 . 5.50 1741 1513 A 13 SER HA A 16 LYS HDx 1.0 . 3.60 1742 1513 A 13 SER HA A 16 LYS HDy 1.0 . 3.60 1743 1514 A 55 THR HB A 56 GLN HE2x 1.0 . 5.25 1744 1515 A 47 ALA HA A 15 PHE HE% 1.0 . 3.36 1745 1516 A 20 TYR HBx A 51 LEU HA 1.0 . 4.59 1746 1517 A 110 ARG HBy A 110 ARG HA 1.0 . 2.93 1747 1518 A 32 THR HG2% A 33 ALA HA 1.0 . 3.80 1748 1519 A 47 ALA HA A 50 LYS HBx 1.0 . 4.47 1749 1520 A 82 TYR HD% A 79 LYS HA 1.0 . 4.50 1750 1521 A 55 THR HB A 91 VAL HG1% 1.0 . 3.80 1751 1522 A 79 LYS HA A 79 LYS HEx 1.0 . 4.09 1752 1522 A 79 LYS HEy A 79 LYS HA 1.0 . 4.09 1753 1523 A 94 VAL HA A 94 VAL HB 1.0 . 2.93 1754 1524 A 72 GLU HA A 72 GLU HBy 1.0 . 2.96 1755 1525 A 72 GLU HA A 71 ALA HB% 1.0 . 4.04 1756 1526 A 10 GLN HA A 10 GLN HGy 1.0 . 3.58 1757 1527 A 10 GLN HGx A 10 GLN HA 1.0 . 3.76 1758 1528 A 10 GLN HE2x A 10 GLN HA 1.0 . 5.50 1759 1529 A 80 LEU HD2% A 65 LEU HA 1.0 . 3.71 1760 1530 A 61 CYS HA A 41 TYR HBy 1.0 . 5.46 1761 1531 A 65 LEU HA A 65 LEU HG 1.0 . 3.60 1762 1532 A 45 ALA HB% A 61 CYS HA 1.0 . 4.47 1763 1533 A 65 LEU HA A 80 LEU HBx 1.0 . 4.28 1764 1534 A 80 LEU HD1% A 61 CYS HA 1.0 . 3.20 1765 1535 A 65 LEU HA A 65 LEU HD2% 1.0 . 3.35 1766 1536 A 65 LEU HD1% A 65 LEU HA 1.0 . 3.81 1767 1537 A 61 CYS HA A 60 MET HA 1.0 . 5.05 1768 1538 A 9 GLU HA A 9 GLU HGx 1.0 . 3.53 1769 1538 A 9 GLU HA A 9 GLU HGy 1.0 . 3.53 1770 1539 A 76 ILE HA A 79 LYS HGx 1.0 . 3.51 1771 1540 A 15 PHE HD% A 20 TYR HA 1.0 . 4.41 1772 1541 A 6 LYS HA A 6 LYS HBy 1.0 . 2.88 1773 1542 A 76 ILE HA A 76 ILE HG1x 1.0 . 3.93 1774 1543 A 76 ILE HG2% A 76 ILE HA 1.0 . 3.57 1775 1544 A 80 LEU HD2% A 76 ILE HA 1.0 . 4.05 1776 1545 A 13 SER HBy A 14 LEU HD2% 1.0 . 4.63 1777 1545 A 13 SER HBx A 14 LEU HD2% 1.0 . 4.63 1778 1545 A 14 LEU HD1% A 13 SER HBx 1.0 . 4.63 1779 1545 A 13 SER HBy A 14 LEU HD1% 1.0 . 4.63 1780 1546 A 29 GLN HA A 29 GLN HGx 1.0 . 3.43 1781 1547 A 20 TYR HE% A 16 LYS HA 1.0 . 5.50 1782 1548 A 16 LYS HA A 16 LYS HEx 1.0 . 4.52 1783 1548 A 16 LYS HA A 16 LYS HEy 1.0 . 4.52 1784 1549 A 16 LYS HA A 16 LYS HBx 1.0 . 2.76 1785 1549 A 16 LYS HBy A 16 LYS HA 1.0 . 2.76 1786 1550 A 16 LYS HA A 16 LYS HGy 1.0 . 3.17 1787 1551 A 16 LYS HA A 16 LYS HGx 1.0 . 3.51 1788 1552 A 79 LYS HA A 78 SER HBx 1.0 . 4.05 1789 1552 A 78 SER HBy A 79 LYS HA 1.0 . 4.05 1790 1553 A 30 LEU HD1% A 30 LEU HA 1.0 . 3.49 1791 1554 A 4 PHE HD% A 4 PHE HA 1.0 . 3.29 1792 1555 A 14 LEU HA A 17 GLN HGx 1.0 . 4.37 1793 1556 A 14 LEU HA A 14 LEU HD2% 1.0 . 3.28 1794 1556 A 14 LEU HA A 14 LEU HD1% 1.0 . 3.28 1795 1557 A 19 LEU HD2% A 14 LEU HA 1.0 . 3.21 1796 1558 A 91 VAL HA A 91 VAL HG1% 1.0 . 3.08 1797 1559 A 91 VAL HA A 90 ALA HB% 1.0 . 4.05 1798 1560 A 38 PRO HDy A 67 TYR HD% 1.0 . 5.50 1799 1561 A 31 ILE HG1y A 40 GLY HAy 1.0 . 4.29 1800 1562 A 68 THR HG2% A 77 ARG HA 1.0 . 3.22 1801 1563 A 84 LEU HG A 84 LEU HA 1.0 . 3.78 1802 1564 A 30 LEU HD1% A 40 GLY HAy 1.0 . 5.48 1803 1565 A 40 GLY HAy A 4 PHE HE% 1.0 . 5.19 1804 1566 A 27 TYR HD% A 44 LYS HA 1.0 . 4.37 1805 1567 A 54 TYR HBy A 87 ALA HA 1.0 . 3.90 1806 1568 A 31 ILE HG1x A 41 TYR HA 1.0 . 4.93 1807 1569 A 50 LYS HA A 15 PHE HE% 1.0 . 4.84 1808 1570 A 24 VAL HG1% A 21 ARG HA 1.0 . 4.01 1809 1571 A 67 TYR HBy A 38 PRO HDx 1.0 . 3.21 1810 1572 A 38 PRO HDx A 37 ASN HBy 1.0 . 3.73 1811 1573 A 68 THR HG2% A 38 PRO HDx 1.0 . 4.78 1812 1574 A 32 THR HG2% A 32 THR HA 1.0 . 3.00 1813 1575 A 20 TYR HE% A 18 GLY HAy 1.0 . 4.51 1814 1576 A 90 ALA HB% A 89 GLY HAx 1.0 . 5.50 1815 1577 A 67 TYR HD% A 63 GLN HA 1.0 . 5.32 1816 1578 A 63 GLN HA A 63 GLN HE2y 1.0 . 5.46 1817 1579 A 15 PHE HD% A 23 ALA HA 1.0 . 5.50 1818 1580 A 23 ALA HA A 14 LEU HD2% 1.0 . 4.98 1819 1580 A 23 ALA HA A 14 LEU HD1% 1.0 . 4.98 1820 1581 A 74 VAL HA A 77 ARG HDx 1.0 . 4.02 1821 1581 A 77 ARG HDy A 74 VAL HA 1.0 . 4.02 1822 1582 A 74 VAL HB A 74 VAL HA 1.0 . 2.93 1823 1583 A 74 VAL HG1% A 74 VAL HA 1.0 . 3.20 1824 1584 A 74 VAL HG2% A 74 VAL HA 1.0 . 3.28 1825 1585 A 15 PHE HA A 20 TYR HA 1.0 . 4.86 1826 1586 A 19 LEU HD2% A 15 PHE HA 1.0 . 5.50 1827 1587 A 39 VAL HA A 42 SER HBy 1.0 . 4.26 1828 1588 A 39 VAL HG1% A 37 ASN HBy 1.0 . 3.42 1829 1589 A 76 ILE HG2% A 39 VAL HA 1.0 . 4.00 1830 1590 A 39 VAL HG2% A 39 VAL HA 1.0 . 3.31 1831 1591 A 83 ARG HBx A 83 ARG HDx 1.0 . 3.94 1832 1591 A 83 ARG HDy A 83 ARG HBx 1.0 . 3.94 1833 1592 A 86 LEU HG A 83 ARG HDx 1.0 . 4.63 1834 1592 A 83 ARG HDy A 86 LEU HG 1.0 . 4.63 1835 1593 A 86 LEU HD2% A 83 ARG HDx 1.0 . 3.93 1836 1593 A 83 ARG HDy A 86 LEU HD2% 1.0 . 3.93 1837 1594 A 42 SER HBx A 38 PRO HBx 1.0 . 4.19 1838 1595 A 39 VAL HG2% A 42 SER HBx 1.0 . 4.31 1839 1596 A 76 ILE HG2% A 42 SER HBx 1.0 . 3.84 1840 1597 A 31 ILE HD1% A 41 TYR HBy 1.0 . 5.50 1841 1598 A 27 TYR HE% A 11 GLY HAy 1.0 . 5.50 1842 1599 A 84 LEU HG A 58 ILE HA 1.0 . 5.09 1843 1600 A 24 VAL HG2% A 24 VAL HA 1.0 . 3.63 1844 1601 A 40 GLY HAx A 4 PHE HE% 1.0 . 4.85 1845 1602 A 30 LEU HD1% A 40 GLY HAx 1.0 . 5.05 1846 1603 A 31 ILE HG1x A 31 ILE HA 1.0 . 3.85 1847 1604 A 49 ILE HA A 49 ILE HG2% 1.0 . 3.24 1848 1605 A 87 ALA HB% A 54 TYR HBy 1.0 . 3.77 1849 1606 A 49 ILE HA A 49 ILE HG1x 1.0 . 3.50 1850 1607 A 27 TYR HBy A 8 LYS HGx 1.0 . 4.84 1851 1608 A 27 TYR HBy A 44 LYS HBy 1.0 . 4.05 1852 1609 A 11 GLY HAx A 14 LEU HD2% 1.0 . 5.50 1853 1609 A 11 GLY HAx A 14 LEU HD1% 1.0 . 5.50 1854 1610 A 61 CYS HBy A 58 ILE HA 1.0 . 3.91 1855 1611 A 77 ARG HBx A 77 ARG HDx 1.0 . 4.03 1856 1611 A 77 ARG HDy A 77 ARG HBx 1.0 . 4.03 1857 1612 A 15 PHE HD% A 20 TYR HBy 1.0 . 4.03 1858 1613 A 82 TYR HBx A 79 LYS HA 1.0 . 3.92 1859 1614 A 9 GLU HA A 12 ASN HBy 1.0 . 3.66 1860 1615 A 68 THR HG2% A 73 HIS HBx 1.0 . 4.02 1861 1616 A 15 PHE HZ A 16 LYS HEx 1.0 . 5.50 1862 1616 A 16 LYS HEy A 15 PHE HZ 1.0 . 5.50 1863 1617 A 8 LYS HEy A 9 GLU HGx 1.0 . 5.00 1864 1617 A 8 LYS HEy A 9 GLU HGy 1.0 . 5.00 1865 1618 A 8 LYS HEy A 8 LYS HBy 1.0 . 4.51 1866 1619 A 67 TYR HD% A 66 ARG HDy 1.0 . 5.50 1867 1620 A 9 GLU HA A 8 LYS HEy 1.0 . 4.60 1868 1621 A 6 LYS HGy A 6 LYS HEx 1.0 . 3.93 1869 1621 A 6 LYS HEy A 6 LYS HGy 1.0 . 3.93 1870 1622 A 46 MET HE% A 79 LYS HEx 1.0 . 4.92 1871 1622 A 79 LYS HEy A 46 MET HE% 1.0 . 4.92 1872 1623 A 54 TYR HD% A 52 GLY HAx 1.0 . 4.80 1873 1624 A 66 ARG HDx A 67 TYR HE% 1.0 . 5.05 1874 1625 A 82 TYR HD% A 79 LYS HEx 1.0 . 4.57 1875 1625 A 79 LYS HEy A 82 TYR HD% 1.0 . 4.57 1876 1626 A 4 PHE HD% A 8 LYS HEx 1.0 . 5.36 1877 1627 A 41 TYR HD% A 60 MET HGy 1.0 . 5.50 1878 1628 A 26 CYS HBy A 23 ALA HA 1.0 . 4.21 1879 1629 A 37 ASN HBx A 4 PHE HE% 1.0 . 5.12 1880 1630 A 20 TYR HBx A 51 LEU HD2% 1.0 . 4.66 1881 1631 A 26 CYS HBx A 23 ALA HA 1.0 . 4.18 1882 1632 A 84 LEU HG A 62 GLN HGy 1.0 . 5.33 1883 1633 A 56 GLN HGy A 48 LEU HD2% 1.0 . 5.50 1884 1634 A 17 GLN HGy A 19 LEU HD1% 1.0 . 5.00 1885 1635 A 15 PHE HE% A 46 MET HGy 1.0 . 4.21 1886 1636 A 61 CYS HBx A 84 LEU HG 1.0 . 5.40 1887 1637 A 61 CYS HBx A 84 LEU HD2% 1.0 . 4.07 1888 1638 A 48 LEU HD2% A 60 MET HBy 1.0 . 4.23 1889 1639 A 65 LEU HD1% A 81 GLN HGy 1.0 . 4.52 1890 1640 A 41 TYR HD% A 60 MET HBy 1.0 . 5.44 1891 1641 A 61 CYS HBx A 58 ILE HA 1.0 . 5.50 1892 1642 A 41 TYR HD% A 60 MET HGx 1.0 . 5.50 1893 1643 A 4 PHE HE% A 5 GLU HGx 1.0 . 5.50 1894 1643 A 5 GLU HGy A 4 PHE HE% 1.0 . 5.50 1895 1644 A 22 GLU HA A 22 GLU HGy 1.0 . 3.81 1896 1645 A 22 GLU HGy A 14 LEU HD2% 1.0 . 4.41 1897 1645 A 22 GLU HGy A 14 LEU HD1% 1.0 . 4.41 1898 1646 A 6 LYS HA A 10 GLN HGy 1.0 . 3.60 1899 1647 A 10 GLN HBx A 10 GLN HGy 1.0 . 2.85 1900 1647 A 10 GLN HBy A 10 GLN HGy 1.0 . 2.85 1901 1648 A 41 TYR HD% A 63 GLN HGy 1.0 . 5.37 1902 1649 A 78 SER HA A 81 GLN HGx 1.0 . 4.33 1903 1650 A 65 LEU HD1% A 81 GLN HGx 1.0 . 5.15 1904 1651 A 15 PHE HE% A 46 MET HGx 1.0 . 4.01 1905 1652 A 65 LEU HD1% A 81 GLN HBy 1.0 . 4.54 1906 1653 A 30 LEU HD1% A 29 GLN HBy 1.0 . 5.16 1907 1654 A 41 TYR HD% A 60 MET HE% 1.0 . 4.34 1908 1655 A 34 GLN HGy A 4 PHE HE% 1.0 . 4.78 1909 1656 A 36 GLN HE2y A 34 GLN HGy 1.0 . 5.41 1910 1657 A 60 MET HE% A 41 TYR HE% 1.0 . 4.41 1911 1658 A 60 MET HE% A 60 MET HA 1.0 . 3.34 1912 1659 A 31 ILE HG1y A 60 MET HE% 1.0 . 4.84 1913 1660 A 58 ILE HG2% A 88 GLN HGx 1.0 . 3.76 1914 1661 A 19 LEU HD1% A 17 GLN HBy 1.0 . 4.23 1915 1662 A 41 TYR HD% A 60 MET HBx 1.0 . 5.42 1916 1663 A 84 LEU HD2% A 62 GLN HBy 1.0 . 4.06 1917 1664 A 4 PHE HD% A 5 GLU HBy 1.0 . 5.03 1918 1665 A 103 GLU HA A 103 GLU HGx 1.0 . 3.21 1919 1666 A 30 LEU HBy A 40 GLY HAx 1.0 . 4.92 1920 1667 A 68 THR HB A 77 ARG HBy 1.0 . 3.93 1921 1668 A 79 LYS HBy A 79 LYS HA 1.0 . 3.02 1922 1669 A 17 GLN HBx A 14 LEU HA 1.0 . 3.35 1923 1670 A 95 GLN HE2x A 95 GLN HBy 1.0 . 4.72 1924 1671 A 4 PHE HD% A 34 GLN HBx 1.0 . 4.62 1925 1672 A 30 LEU HD1% A 8 LYS HBy 1.0 . 4.81 1926 1673 A 76 ILE HB A 76 ILE HD1% 1.0 . 3.94 1927 1674 A 49 ILE HG1y A 50 LYS HEx 1.0 . 4.61 1928 1674 A 50 LYS HEy A 49 ILE HG1y 1.0 . 4.61 1929 1675 A 31 ILE HD1% A 44 LYS HBy 1.0 . 5.50 1930 1676 A 24 VAL HG1% A 47 ALA HB% 1.0 . 3.54 1931 1677 A 27 TYR HD% A 44 LYS HBy 1.0 . 4.11 1932 1678 A 15 PHE HD% A 16 LYS HGy 1.0 . 4.41 1933 1679 A 27 TYR HA A 30 LEU HG 1.0 . 4.53 1934 1680 A 30 LEU HG A 8 LYS HA 1.0 . 5.50 1935 1681 A 46 MET HBx A 15 PHE HE% 1.0 . 4.19 1936 1682 A 82 TYR HD% A 83 ARG HBx 1.0 . 3.37 1937 1683 A 79 LYS HBx A 79 LYS HEx 1.0 . 3.43 1938 1683 A 79 LYS HEy A 79 LYS HBx 1.0 . 3.43 1939 1684 A 41 TYR HD% A 38 PRO HBx 1.0 . 5.17 1940 1685 A 76 ILE HG2% A 38 PRO HBx 1.0 . 3.34 1941 1686 A 48 LEU HD2% A 48 LEU HBx 1.0 . 3.51 1942 1687 A 28 ASP HA A 31 ILE HB 1.0 . 3.69 1943 1688 A 110 ARG HA A 110 ARG HGx 1.0 . 3.31 1944 1688 A 110 ARG HA A 110 ARG HGy 1.0 . 3.31 1945 1689 A 20 TYR HD% A 51 LEU HG 1.0 . 5.50 1946 1690 A 51 LEU HD2% A 51 LEU HBx 1.0 . 3.66 1947 1691 A 66 ARG HGy A 67 TYR HE% 1.0 . 5.50 1948 1692 A 39 VAL HA A 76 ILE HG1y 1.0 . 5.25 1949 1693 A 14 LEU HBx A 23 ALA HA 1.0 . 4.72 1950 1694 A 79 LYS HA A 79 LYS HDx 1.0 . 3.45 1951 1694 A 79 LYS HA A 79 LYS HDy 1.0 . 3.45 1952 1695 A 14 LEU HBx A 14 LEU HD2% 1.0 . 3.28 1953 1695 A 14 LEU HBx A 14 LEU HD1% 1.0 . 3.28 1954 1696 A 86 LEU HD1% A 86 LEU HBx 1.0 . 3.73 1955 1696 A 86 LEU HBy A 86 LEU HD1% 1.0 . 3.73 1956 1697 A 57 ALA HB% A 54 TYR HA 1.0 . 3.48 1957 1698 A 83 ARG HGx A 82 TYR HE% 1.0 . 5.50 1958 1699 A 23 ALA HB% A 20 TYR HE% 1.0 . 5.23 1959 1700 A 31 ILE HD1% A 45 ALA HB% 1.0 . 5.50 1960 1701 A 27 TYR HA A 8 LYS HBx 1.0 . 4.47 1961 1702 A 23 ALA HB% A 14 LEU HD2% 1.0 . 3.83 1962 1702 A 23 ALA HB% A 14 LEU HD1% 1.0 . 3.83 1963 1703 A 50 LYS HGy A 15 PHE HZ 1.0 . 5.50 1964 1704 A 50 LYS HGy A 50 LYS HEx 1.0 . 3.73 1965 1704 A 50 LYS HEy A 50 LYS HGy 1.0 . 3.73 1966 1705 A 74 VAL HA A 71 ALA HB% 1.0 . 5.50 1967 1706 A 70 THR HA A 71 ALA HB% 1.0 . 4.36 1968 1707 A 30 LEU HBx A 4 PHE HZ 1.0 . 4.77 1969 1708 A 47 ALA HA A 50 LYS HDx 1.0 . 3.17 1970 1709 A 61 CYS HBy A 84 LEU HBx 1.0 . 4.44 1971 1710 A 61 CYS HBx A 84 LEU HBx 1.0 . 4.77 1972 1711 A 15 PHE HE% A 50 LYS HBy 1.0 . 4.65 1973 1712 A 55 THR HG2% A 55 THR HA 1.0 . 3.30 1974 1713 A 56 GLN HGy A 55 THR HG2% 1.0 . 4.87 1975 1714 A 70 THR HG2% A 73 HIS HE1 1.0 . 5.38 1976 1715 A 31 ILE HG1y A 31 ILE HA 1.0 . 3.98 1977 1716 A 15 PHE HD% A 24 VAL HG1% 1.0 . 5.50 1978 1717 A 27 TYR HA A 8 LYS HGx 1.0 . 4.97 1979 1718 A 24 VAL HG1% A 20 TYR HBy 1.0 . 4.58 1980 1719 A 4 PHE HD% A 39 VAL HG1% 1.0 . 5.38 1981 1720 A 39 VAL HG1% A 42 SER HBy 1.0 . 5.42 1982 1721 A 39 VAL HG1% A 42 SER HBx 1.0 . 4.89 1983 1722 A 39 VAL HG1% A 40 GLY HAx 1.0 . 5.50 1984 1723 A 51 LEU HA A 51 LEU HD1% 1.0 . 2.98 1985 1724 A 20 TYR HBy A 51 LEU HD1% 1.0 . 3.68 1986 1725 A 80 LEU HD1% A 80 LEU HA 1.0 . 3.15 1987 1726 A 80 LEU HD1% A 41 TYR HBy 1.0 . 4.58 1988 1727 A 61 CYS HBy A 80 LEU HD1% 1.0 . 3.95 1989 1728 A 80 LEU HD1% A 61 CYS HBx 1.0 . 5.06 1990 1729 A 68 THR HG2% A 73 HIS HE1 1.0 . 5.50 1991 1730 A 67 TYR HD% A 68 THR HG2% 1.0 . 4.91 1992 1731 A 68 THR HG2% A 73 HIS HA 1.0 . 4.67 1993 1732 A 68 THR HG2% A 73 HIS HBy 1.0 . 3.70 1994 1733 A 54 TYR HBy A 91 VAL HG1% 1.0 . 4.00 1995 1734 A 68 THR HB A 65 LEU HD2% 1.0 . 4.50 1996 1735 A 84 LEU HD1% A 61 CYS HBx 1.0 . 4.21 1997 1736 A 15 PHE HZ A 50 LYS HGx 1.0 . 5.50 1998 1737 A 91 VAL HG2% A 91 VAL HA 1.0 . 3.11 1999 1738 A 50 LYS HGx A 50 LYS HEx 1.0 . 3.44 2000 1738 A 50 LYS HEy A 50 LYS HGx 1.0 . 3.44 2001 1739 A 39 VAL HG2% A 4 PHE HZ 1.0 . 3.96 2002 1740 A 39 VAL HG2% A 8 LYS HEy 1.0 . 4.60 2003 1741 A 30 LEU HD1% A 39 VAL HG2% 1.0 . 4.90 2004 1742 A 48 LEU HD1% A 48 LEU HA 1.0 . 3.37 2005 1743 A 48 LEU HD1% A 24 VAL HG1% 1.0 . 4.15 2006 1744 A 49 ILE HD1% A 50 LYS HBx 1.0 . 4.46 2007 1745 A 49 ILE HD1% A 15 PHE HE% 1.0 . 4.88 2008 1746 A 48 LEU HD1% A 53 GLU HA 1.0 . 4.77 2009 1747 A 48 LEU HD1% A 56 GLN HGx 1.0 . 5.13 2010 1748 A 103 GLU HGy A 101 VAL HG1% 1.0 . 4.48 2011 1748 A 101 VAL HG2% A 103 GLU HGy 1.0 . 4.48 2012 1749 A 103 GLU HGx A 101 VAL HG1% 1.0 . 4.60 2013 1749 A 101 VAL HG2% A 103 GLU HGx 1.0 . 4.60 2014 1750 A 95 GLN HE2y A 96 ILE HG12 1.0 . 5.17 2015 1750 A 95 GLN HE2y A 96 ILE HG13 1.0 . 5.17 2016 1751 A 11 GLY HAy A 14 LEU HD2% 1.0 . 5.50 2017 1751 A 11 GLY HAy A 14 LEU HD1% 1.0 . 5.50 2018 1752 A 61 CYS HBy A 84 LEU HD2% 1.0 . 4.05 2019 1753 A 104 LEU HA A 104 LEU HD1% 1.0 . 4.39 2020 1754 A 86 LEU HD2% A 83 ARG HA 1.0 . 3.14 2021 1755 A 49 ILE HG1x A 46 MET HA 1.0 . 4.16 2022 1756 A 19 LEU HD2% A 17 GLN HGy 1.0 . 4.79 2023 1757 A 19 LEU HD2% A 22 GLU HGy 1.0 . 4.02 2024 1758 A 48 LEU HD2% A 56 GLN HGx 1.0 . 4.30 2025 1759 A 17 GLN HBx A 19 LEU HD2% 1.0 . 3.55 2026 1760 A 48 LEU HD2% A 60 MET HGx 1.0 . 4.29 2027 1761 A 48 LEU HD2% A 60 MET HBx 1.0 . 3.67 2028 1762 A 48 LEU HD2% A 57 ALA HA 1.0 . 3.36 2029 1763 A 51 LEU HD2% A 15 PHE HE% 1.0 . 5.50 2030 1764 A 51 LEU HD2% A 20 TYR HA 1.0 . 4.85 2031 1765 A 51 LEU HD2% A 48 LEU HA 1.0 . 3.57 2032 1766 A 20 TYR HD% A 51 LEU HD2% 1.0 . 4.57 2033 1767 A 51 LEU HD2% A 20 TYR HBy 1.0 . 3.88 2034 1768 A 65 LEU HD1% A 62 GLN HA 1.0 . 3.38 2035 1769 A 65 LEU HBy A 65 LEU HD1% 1.0 . 3.76 2036 1770 A 19 LEU HD1% A 19 LEU HBx 1.0 . 3.31 2037 1771 A 65 LEU HD1% A 65 LEU HBx 1.0 . 3.22 2038 1772 A 31 ILE HG2% A 31 ILE HA 1.0 . 3.44 2039 1773 A 30 LEU HD2% A 40 GLY HAy 1.0 . 3.89 2040 1774 A 27 TYR HBx A 30 LEU HD2% 1.0 . 4.83 2041 1775 A 30 LEU HD2% A 30 LEU HA 1.0 . 4.15 2042 1776 A 30 LEU HD2% A 8 LYS HGy 1.0 . 4.88 2043 1777 A 50 LYS HBx A 15 PHE HE% 1.0 . 4.70 2044 1778 A 50 LYS HBx A 50 LYS HEx 1.0 . 4.65 2045 1778 A 50 LYS HEy A 50 LYS HBx 1.0 . 4.65 2046 1779 A 49 ILE HG1x A 50 LYS HBx 1.0 . 3.95 2047 1780 A 31 ILE HD1% A 60 MET HA 1.0 . 5.50 2048 1781 A 30 LEU HBy A 31 ILE HD1% 1.0 . 5.50 2049 1782 A 30 LEU HD1% A 27 TYR HD% 1.0 . 5.21 2050 1783 A 4 PHE HBy A 30 LEU HD1% 1.0 . 5.50 2051 1784 A 4 PHE HBx A 30 LEU HD1% 1.0 . 5.22 2052 1785 A 41 TYR HD% A 31 ILE HG1x 1.0 . 5.50 2053 1786 A 31 ILE HG1x A 40 GLY HAy 1.0 . 4.89 stop_ save_