data_nef_c30207_5u6h 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 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 30208 BMRB 30210 PDB 5U6H stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 19 CYS SG 2 1 ZN ZN 1 27 CYS SG 2 1 ZN ZN 1 34 CYS SG 2 1 ZN ZN 1 38 HIS NE2 2 1 ZN ZN 1 53 CYS SG 2 2 ZN ZN 1 61 CYS SG 2 2 ZN ZN 1 66 CYS SG 2 2 ZN ZN 1 70 HIS NE2 2 2 ZN ZN stop_ 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 1 MET start . . 2 A 2 ALA middle . . 3 A 3 VAL middle . . 4 A 4 SER middle . . 5 A 5 VAL middle . . 6 A 6 THR middle . . 7 A 7 PRO middle . false 8 A 8 ILE middle . . 9 A 9 ARG middle . . 10 A 10 ASP middle . . 11 A 11 THR middle . . 12 A 12 LYS middle . . 13 A 13 TRP middle . . 14 A 14 LEU middle . . 15 A 15 THR middle . . 16 A 16 LEU middle . . 17 A 17 GLU middle . . 18 A 18 VAL middle . . 19 A 19 CYS middle -HG . 20 A 20 ARG middle . . 21 A 21 GLU middle . . 22 A 22 PHE middle . . 23 A 23 GLN middle . . 24 A 24 ARG middle . . 25 A 25 GLY middle . false 26 A 26 THR middle . . 27 A 27 CYS middle -HG . 28 A 28 SER middle . . 29 A 29 ARG middle . . 30 A 30 PRO middle . false 31 A 31 ASP middle . . 32 A 32 THR middle . . 33 A 33 GLU middle . . 34 A 34 CYS middle -HG . 35 A 35 LYS middle . . 36 A 36 PHE middle . . 37 A 37 ALA middle . . 38 A 38 HIS middle -HE2 . 39 A 39 PRO middle . false 40 A 40 SER middle . . 41 A 41 LYS middle . . 42 A 42 SER middle . . 43 A 43 CYS middle . . 44 A 44 GLN middle . . 45 A 45 VAL middle . . 46 A 46 GLU middle . . 47 A 47 ASN middle . . 48 A 48 GLY middle . false 49 A 49 ARG middle . . 50 A 50 VAL middle . . 51 A 51 ILE middle . . 52 A 52 ALA middle . . 53 A 53 CYS middle -HG . 54 A 54 PHE middle . . 55 A 55 ASP middle . . 56 A 56 SER middle . . 57 A 57 LEU middle . . 58 A 58 LYS middle . . 59 A 59 GLY middle . false 60 A 60 ARG middle . . 61 A 61 CYS middle -HG . 62 A 62 SER middle . . 63 A 63 ARG middle . . 64 A 64 GLU middle . . 65 A 65 ASN middle . . 66 A 66 CYS middle -HG . 67 A 67 LYS middle . . 68 A 68 TYR middle . . 69 A 69 LEU middle . . 70 A 70 HIS middle -HE2 . 71 A 71 PRO middle . false 72 A 72 PRO middle . false 73 A 73 PRO middle . false 74 A 74 HIS middle . . 75 A 75 LEU middle . . 76 A 76 LYS middle . . 77 A 77 THR middle . . 78 A 78 GLN middle . . 79 A 79 LEU middle . . 80 A 80 GLU middle . . 81 A 81 ILE middle . . 82 A 82 ASN middle . . 83 A 83 GLY middle . false 84 A 84 ARG middle . . 85 A 85 ASN middle . . 86 A 86 ASN middle . . 87 A 87 LEU middle . . 88 A 88 ILE middle . . 89 A 89 GLN middle . . 90 A 90 GLN middle . . 91 A 91 LYS middle . . 92 A 92 ASN end . . 93 B 1 ZN . . . 94 B 2 ZN . . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 2 ALA HA H 1 4.021 0.01 A 2 ALA CA C 13 51.805 0.01 A 4 SER H H 1 8.430 0.01 A 4 SER HA H 1 4.464 0.01 A 4 SER HBx H 1 3.758 0.01 A 4 SER CA C 13 58.000 0.01 A 4 SER CB C 13 63.875 0.01 A 4 SER N N 15 119.852 0.01 A 5 VAL H H 1 8.241 0.01 A 5 VAL HA H 1 4.160 0.01 A 5 VAL HB H 1 2.014 0.01 A 5 VAL HGx% H 1 0.855 0.01 A 5 VAL CA C 13 62.019 0.01 A 5 VAL CB C 13 33.007 0.01 A 5 VAL CGx C 13 20.427 0.01 A 5 VAL N N 15 121.933 0.01 A 6 THR H H 1 8.237 0.01 A 6 THR HA H 1 4.510 0.01 A 6 THR HB H 1 4.023 0.01 A 6 THR HG2% H 1 1.159 0.01 A 6 THR CA C 13 59.838 0.01 A 6 THR CB C 13 69.771 0.01 A 6 THR CG2 C 13 21.546 0.01 A 6 THR N N 15 120.823 0.01 A 7 PRO HA H 1 4.345 0.01 A 7 PRO HBy H 1 2.180 0.01 A 7 PRO HBx H 1 1.769 0.01 A 7 PRO HDx H 1 3.624 0.01 A 7 PRO HDy H 1 3.793 0.01 A 7 PRO HGx H 1 1.905 0.01 A 7 PRO CA C 13 63.153 0.01 A 7 PRO CB C 13 32.295 0.01 A 7 PRO CD C 13 51.248 0.01 A 7 PRO CG C 13 27.514 0.01 A 8 ILE H H 1 8.075 0.01 A 8 ILE HA H 1 4.004 0.01 A 8 ILE HB H 1 1.717 0.01 A 8 ILE HD1% H 1 0.798 0.01 A 8 ILE HG1y H 1 1.381 0.01 A 8 ILE HG1x H 1 1.104 0.01 A 8 ILE HG2% H 1 0.762 0.01 A 8 ILE CA C 13 61.262 0.01 A 8 ILE CB C 13 38.704 0.01 A 8 ILE CD1 C 13 17.665 0.01 A 8 ILE CG1 C 13 27.512 0.01 A 8 ILE CG2 C 13 12.951 0.01 A 8 ILE N N 15 120.975 0.01 A 9 ARG H H 1 8.256 0.01 A 9 ARG HA H 1 4.242 0.01 A 9 ARG HBx H 1 1.589 0.01 A 9 ARG HBy H 1 1.681 0.01 A 9 ARG HDx H 1 2.956 0.01 A 9 ARG HGx H 1 1.444 0.01 A 9 ARG CA C 13 55.836 0.01 A 9 ARG CB C 13 30.998 0.01 A 9 ARG CD C 13 43.244 0.01 A 9 ARG CG C 13 27.171 0.01 A 9 ARG N N 15 124.520 0.01 A 10 ASP H H 1 8.174 0.01 A 10 ASP HA H 1 4.633 0.01 A 10 ASP CA C 13 54.315 0.01 A 10 ASP N N 15 121.848 0.01 A 11 THR H H 1 8.118 0.01 A 11 THR HA H 1 4.061 0.01 A 11 THR HB H 1 4.221 0.01 A 11 THR HG2% H 1 1.022 0.01 A 11 THR CA C 13 62.080 0.01 A 11 THR CB C 13 69.269 0.01 A 11 THR CG2 C 13 21.759 0.01 A 11 THR N N 15 112.422 0.01 A 12 LYS H H 1 8.435 0.01 A 12 LYS HA H 1 3.961 0.01 A 12 LYS HBy H 1 1.862 0.01 A 12 LYS HBx H 1 1.735 0.01 A 12 LYS HDx H 1 1.273 0.01 A 12 LYS HEx H 1 2.880 0.01 A 12 LYS HGx H 1 1.361 0.01 A 12 LYS CA C 13 59.678 0.01 A 12 LYS CB C 13 31.840 0.01 A 12 LYS CE C 13 41.833 0.01 A 12 LYS CG C 13 24.877 0.01 A 12 LYS N N 15 124.491 0.01 A 13 TRP H H 1 7.885 0.01 A 13 TRP HA H 1 4.533 0.01 A 13 TRP HBy H 1 3.309 0.01 A 13 TRP HBx H 1 3.147 0.01 A 13 TRP HD1 H 1 7.308 0.01 A 13 TRP HE1 H 1 10.097 0.01 A 13 TRP CA C 13 57.762 0.01 A 13 TRP CB C 13 28.224 0.01 A 13 TRP CD1 C 13 114.103 0.01 A 13 TRP N N 15 117.744 0.01 A 13 TRP NE1 N 15 129.686 0.01 A 14 LEU H H 1 7.086 0.01 A 14 LEU HA H 1 4.018 0.01 A 14 LEU HBx H 1 1.236 0.01 A 14 LEU HBy H 1 1.562 0.01 A 14 LEU HDx% H 1 0.514 0.01 A 14 LEU HDy% H 1 0.189 0.01 A 14 LEU HG H 1 0.754 0.01 A 14 LEU CA C 13 54.282 0.01 A 14 LEU CB C 13 43.240 0.01 A 14 LEU CDy C 13 25.876 0.01 A 14 LEU CDx C 13 23.431 0.01 A 14 LEU CG C 13 25.954 0.01 A 14 LEU N N 15 119.508 0.01 A 15 THR H H 1 7.526 0.01 A 15 THR HA H 1 4.798 0.01 A 15 THR HB H 1 4.056 0.01 A 15 THR HG2% H 1 1.097 0.01 A 15 THR CA C 13 62.810 0.01 A 15 THR CB C 13 40.390 0.01 A 15 THR CG2 C 13 21.777 0.01 A 15 THR N N 15 113.163 0.01 A 16 LEU H H 1 9.020 0.01 A 16 LEU HA H 1 4.741 0.01 A 16 LEU HBy H 1 1.464 0.01 A 16 LEU HBx H 1 1.325 0.01 A 16 LEU HDx% H 1 0.664 0.01 A 16 LEU HDy% H 1 0.853 0.01 A 16 LEU CA C 13 53.439 0.01 A 16 LEU CB C 13 46.817 0.01 A 16 LEU CDy C 13 27.541 0.01 A 16 LEU CDx C 13 24.309 0.01 A 16 LEU N N 15 124.751 0.01 A 17 GLU H H 1 8.905 0.01 A 17 GLU HA H 1 4.392 0.01 A 17 GLU HBx H 1 2.067 0.01 A 17 GLU HGx H 1 2.176 0.01 A 17 GLU HGy H 1 2.321 0.01 A 17 GLU CA C 13 56.886 0.01 A 17 GLU CB C 13 31.050 0.01 A 17 GLU CG C 13 36.451 0.01 A 17 GLU N N 15 121.040 0.01 A 18 VAL H H 1 8.294 0.01 A 18 VAL HA H 1 3.922 0.01 A 18 VAL HB H 1 1.654 0.01 A 18 VAL HGx% H 1 0.765 0.01 A 18 VAL CA C 13 62.414 0.01 A 18 VAL CB C 13 32.534 0.01 A 18 VAL CGx C 13 23.733 0.01 A 18 VAL N N 15 122.875 0.01 A 19 CYS H H 1 9.145 0.01 A 19 CYS HA H 1 3.826 0.01 A 19 CYS HBx H 1 3.139 0.01 A 19 CYS HBy H 1 3.236 0.01 A 19 CYS CB C 13 31.017 0.01 A 19 CYS N N 15 129.116 0.01 A 20 ARG H H 1 8.744 0.01 A 20 ARG HA H 1 4.003 0.01 A 20 ARG HBx H 1 1.748 0.01 A 20 ARG HDx H 1 3.106 0.01 A 20 ARG CA C 13 59.205 0.01 A 20 ARG CB C 13 29.955 0.01 A 20 ARG CD C 13 43.143 0.01 A 20 ARG N N 15 132.392 0.01 A 21 GLU H H 1 7.932 0.01 A 21 GLU HA H 1 3.888 0.01 A 21 GLU HBx H 1 1.876 0.01 A 21 GLU HGx H 1 2.212 0.01 A 21 GLU HGy H 1 2.275 0.01 A 21 GLU CA C 13 59.791 0.01 A 21 GLU CB C 13 28.766 0.01 A 21 GLU CG C 13 37.639 0.01 A 21 GLU N N 15 118.987 0.01 A 22 PHE H H 1 9.754 0.01 A 22 PHE HBx H 1 2.865 0.01 A 22 PHE HBy H 1 3.109 0.01 A 22 PHE HDx H 1 6.707 0.01 A 22 PHE HEx H 1 7.326 0.01 A 22 PHE CB C 13 38.913 0.01 A 22 PHE CDx C 13 127.024 0.01 A 22 PHE CG C 13 130.978 0.01 A 22 PHE N N 15 128.171 0.01 A 23 GLN H H 1 7.781 0.01 A 23 GLN HA H 1 3.875 0.01 A 23 GLN HBy H 1 2.173 0.01 A 23 GLN HBx H 1 2.020 0.01 A 23 GLN HGy H 1 2.567 0.01 A 23 GLN HGx H 1 2.256 0.01 A 23 GLN CA C 13 58.841 0.01 A 23 GLN CB C 13 29.804 0.01 A 23 GLN CG C 13 35.201 0.01 A 23 GLN N N 15 116.884 0.01 A 24 ARG H H 1 7.252 0.01 A 24 ARG HA H 1 4.317 0.01 A 24 ARG HBy H 1 1.907 0.01 A 24 ARG HBx H 1 1.859 0.01 A 24 ARG HDx H 1 3.080 0.01 A 24 ARG HGx H 1 1.707 0.01 A 24 ARG CA C 13 55.822 0.01 A 24 ARG CB C 13 31.063 0.01 A 24 ARG CD C 13 43.562 0.01 A 24 ARG CG C 13 27.445 0.01 A 24 ARG N N 15 115.316 0.01 A 25 GLY H H 1 7.684 0.01 A 25 GLY HAy H 1 3.983 0.01 A 25 GLY HAx H 1 3.667 0.01 A 25 GLY CA C 13 45.755 0.01 A 25 GLY N N 15 108.221 0.01 A 26 THR H H 1 8.140 0.01 A 26 THR HA H 1 4.373 0.01 A 26 THR HB H 1 4.433 0.01 A 26 THR HG2% H 1 0.885 0.01 A 26 THR CA C 13 60.816 0.01 A 26 THR CG2 C 13 21.236 0.01 A 26 THR N N 15 109.062 0.01 A 27 CYS H H 1 7.679 0.01 A 27 CYS HA H 1 4.373 0.01 A 27 CYS HBx H 1 2.679 0.01 A 27 CYS HBy H 1 2.924 0.01 A 27 CYS CA C 13 60.816 0.01 A 27 CYS CB C 13 29.446 0.01 A 27 CYS N N 15 124.762 0.01 A 28 SER H H 1 8.893 0.01 A 28 SER HA H 1 4.484 0.01 A 28 SER HBy H 1 4.032 0.01 A 28 SER HBx H 1 3.850 0.01 A 28 SER CA C 13 58.639 0.01 A 28 SER CB C 13 63.751 0.01 A 28 SER N N 15 125.293 0.01 A 29 ARG H H 1 8.754 0.01 A 29 ARG HA H 1 4.712 0.01 A 29 ARG HBy H 1 1.859 0.01 A 29 ARG HBx H 1 1.589 0.01 A 29 ARG HDy H 1 3.218 0.01 A 29 ARG HDx H 1 3.138 0.01 A 29 ARG CA C 13 54.125 0.01 A 29 ARG CB C 13 31.074 0.01 A 29 ARG CD C 13 43.840 0.01 A 29 ARG N N 15 124.835 0.01 A 30 PRO HA H 1 4.649 0.01 A 30 PRO HBy H 1 2.402 0.01 A 30 PRO HBx H 1 1.830 0.01 A 30 PRO HDx H 1 3.538 0.01 A 30 PRO HDy H 1 3.836 0.01 A 30 PRO HGy H 1 1.997 0.01 A 30 PRO HGx H 1 1.844 0.01 A 30 PRO CA C 13 62.171 0.01 A 30 PRO CB C 13 32.698 0.01 A 30 PRO CD C 13 50.502 0.01 A 30 PRO CG C 13 27.728 0.01 A 31 ASP H H 1 9.042 0.01 A 31 ASP HA H 1 3.654 0.01 A 31 ASP CA C 13 56.724 0.01 A 31 ASP N N 15 122.828 0.01 A 32 THR H H 1 7.186 0.01 A 32 THR HA H 1 3.840 0.01 A 32 THR HB H 1 4.353 0.01 A 32 THR HG2% H 1 1.292 0.01 A 32 THR CA C 13 62.702 0.01 A 32 THR CB C 13 68.773 0.01 A 32 THR CG2 C 13 23.013 0.01 A 32 THR N N 15 103.778 0.01 A 33 GLU H H 1 7.571 0.01 A 33 GLU HA H 1 3.989 0.01 A 33 GLU HBx H 1 1.535 0.01 A 33 GLU HBy H 1 2.014 0.01 A 33 GLU HGx H 1 1.989 0.01 A 33 GLU HGy H 1 2.065 0.01 A 33 GLU CA C 13 55.659 0.01 A 33 GLU CB C 13 33.338 0.01 A 33 GLU CG C 13 36.211 0.01 A 33 GLU N N 15 117.035 0.01 A 34 CYS H H 1 7.293 0.01 A 34 CYS HA H 1 3.930 0.01 A 34 CYS HBx H 1 2.259 0.01 A 34 CYS CA C 13 61.859 0.01 A 34 CYS CB C 13 28.650 0.01 A 34 CYS N N 15 122.117 0.01 A 35 LYS H H 1 8.022 0.01 A 35 LYS HA H 1 3.837 0.01 A 35 LYS HBy H 1 1.378 0.01 A 35 LYS HBx H 1 1.092 0.01 A 35 LYS HDx H 1 1.453 0.01 A 35 LYS HEx H 1 2.803 0.01 A 35 LYS HGx H 1 1.015 0.01 A 35 LYS CA C 13 57.731 0.01 A 35 LYS CB C 13 32.512 0.01 A 35 LYS CD C 13 28.972 0.01 A 35 LYS CE C 13 41.988 0.01 A 35 LYS CG C 13 24.877 0.01 A 35 LYS N N 15 125.265 0.01 A 36 PHE H H 1 8.273 0.01 A 36 PHE HA H 1 4.809 0.01 A 36 PHE HBx H 1 2.803 0.01 A 36 PHE HBy H 1 3.276 0.01 A 36 PHE HDx H 1 7.300 0.01 A 36 PHE CA C 13 55.634 0.01 A 36 PHE CB C 13 41.988 0.01 A 36 PHE CDx C 13 130.177 0.01 A 36 PHE N N 15 118.099 0.01 A 37 ALA H H 1 8.382 0.01 A 37 ALA HA H 1 3.961 0.01 A 37 ALA HB% H 1 1.062 0.01 A 37 ALA CA C 13 52.482 0.01 A 37 ALA CB C 13 21.259 0.01 A 37 ALA N N 15 116.908 0.01 A 38 HIS H H 1 9.664 0.01 A 38 HIS HA H 1 4.183 0.01 A 38 HIS HBy H 1 2.679 0.01 A 38 HIS HBx H 1 1.762 0.01 A 38 HIS HD2 H 1 6.494 0.01 A 38 HIS HE1 H 1 8.373 0.01 A 38 HIS CA C 13 51.507 0.01 A 38 HIS CB C 13 29.446 0.01 A 38 HIS CD2 C 13 124.405 0.01 A 38 HIS CE1 C 13 139.639 0.01 A 38 HIS N N 15 122.730 0.01 A 39 PRO HA H 1 4.115 0.01 A 39 PRO HBy H 1 2.094 0.01 A 39 PRO HBx H 1 1.979 0.01 A 39 PRO HDy H 1 3.624 0.01 A 39 PRO HDx H 1 3.387 0.01 A 39 PRO HGy H 1 2.097 0.01 A 39 PRO HGx H 1 1.542 0.01 A 39 PRO CA C 13 62.931 0.01 A 39 PRO CB C 13 32.652 0.01 A 39 PRO CD C 13 51.248 0.01 A 39 PRO CG C 13 28.004 0.01 A 40 SER H H 1 7.490 0.01 A 40 SER HA H 1 4.563 0.01 A 40 SER HBy H 1 4.231 0.01 A 40 SER HBx H 1 4.002 0.01 A 40 SER CA C 13 57.657 0.01 A 40 SER CB C 13 64.290 0.01 A 40 SER N N 15 116.062 0.01 A 41 LYS H H 1 8.775 0.01 A 41 LYS HA H 1 4.089 0.01 A 41 LYS HBy H 1 1.831 0.01 A 41 LYS HBx H 1 1.478 0.01 A 41 LYS HDx H 1 1.605 0.01 A 41 LYS HEx H 1 2.925 0.01 A 41 LYS CA C 13 58.776 0.01 A 41 LYS CB C 13 32.335 0.01 A 41 LYS CD C 13 29.037 0.01 A 41 LYS CE C 13 42.002 0.01 A 41 LYS CG C 13 24.932 0.01 A 41 LYS N N 15 120.471 0.01 A 42 SER H H 1 7.775 0.01 A 42 SER HA H 1 4.164 0.01 A 42 SER HBx H 1 3.567 0.01 A 42 SER HBy H 1 3.638 0.01 A 42 SER CA C 13 59.093 0.01 A 42 SER CB C 13 63.652 0.01 A 42 SER N N 15 110.663 0.01 A 43 CYS H H 1 7.267 0.01 A 43 CYS HA H 1 4.081 0.01 A 43 CYS HBy H 1 2.708 0.01 A 43 CYS HBx H 1 2.441 0.01 A 43 CYS CA C 13 59.918 0.01 A 43 CYS CB C 13 28.322 0.01 A 43 CYS N N 15 119.728 0.01 A 44 GLN H H 1 8.611 0.01 A 44 GLN HA H 1 4.317 0.01 A 44 GLN HBy H 1 2.020 0.01 A 44 GLN HBx H 1 1.905 0.01 A 44 GLN HGx H 1 2.196 0.01 A 44 GLN CA C 13 55.822 0.01 A 44 GLN CB C 13 29.636 0.01 A 44 GLN CG C 13 33.942 0.01 A 44 GLN N N 15 124.826 0.01 A 45 VAL H H 1 8.574 0.01 A 45 VAL HA H 1 4.477 0.01 A 45 VAL HB H 1 1.880 0.01 A 45 VAL HGx% H 1 0.740 0.01 A 45 VAL HGy% H 1 0.743 0.01 A 45 VAL CA C 13 61.465 0.01 A 45 VAL CB C 13 33.467 0.01 A 45 VAL CGx C 13 21.388 0.01 A 45 VAL CGy C 13 22.352 0.01 A 45 VAL N N 15 128.180 0.01 A 46 GLU H H 1 8.562 0.01 A 46 GLU HA H 1 4.596 0.01 A 46 GLU HBy H 1 1.894 0.01 A 46 GLU HBx H 1 1.830 0.01 A 46 GLU HGx H 1 2.065 0.01 A 46 GLU CA C 13 55.240 0.01 A 46 GLU CB C 13 32.724 0.01 A 46 GLU CG C 13 36.279 0.01 A 46 GLU N N 15 126.151 0.01 A 47 ASN HA H 1 4.303 0.01 A 47 ASN HBy H 1 2.988 0.01 A 47 ASN HBx H 1 2.653 0.01 A 47 ASN CA C 13 54.182 0.01 A 47 ASN CB C 13 37.694 0.01 A 48 GLY H H 1 8.562 0.01 A 48 GLY HAy H 1 3.999 0.01 A 48 GLY HAx H 1 3.434 0.01 A 48 GLY CA C 13 46.278 0.01 A 48 GLY N N 15 101.973 0.01 A 49 ARG H H 1 7.801 0.01 A 49 ARG HA H 1 5.259 0.01 A 49 ARG HBx H 1 1.660 0.01 A 49 ARG HBy H 1 1.755 0.01 A 49 ARG HDx H 1 3.012 0.01 A 49 ARG HDy H 1 3.080 0.01 A 49 ARG HGx H 1 1.435 0.01 A 49 ARG HGy H 1 1.647 0.01 A 49 ARG CA C 13 54.830 0.01 A 49 ARG CB C 13 34.376 0.01 A 49 ARG CD C 13 43.487 0.01 A 49 ARG CG C 13 27.940 0.01 A 49 ARG N N 15 118.974 0.01 A 50 VAL H H 1 8.959 0.01 A 50 VAL HA H 1 4.800 0.01 A 50 VAL HB H 1 1.820 0.01 A 50 VAL HGx% H 1 0.908 0.01 A 50 VAL HGy% H 1 0.740 0.01 A 50 VAL CA C 13 58.439 0.01 A 50 VAL CB C 13 36.052 0.01 A 50 VAL CGy C 13 21.780 0.01 A 50 VAL CGx C 13 21.388 0.01 A 50 VAL N N 15 116.856 0.01 A 51 ILE H H 1 8.407 0.01 A 51 ILE HA H 1 4.294 0.01 A 51 ILE HB H 1 1.829 0.01 A 51 ILE HD1% H 1 0.745 0.01 A 51 ILE HG1y H 1 1.591 0.01 A 51 ILE HG1x H 1 0.957 0.01 A 51 ILE HG2% H 1 0.763 0.01 A 51 ILE CA C 13 60.656 0.01 A 51 ILE CB C 13 39.342 0.01 A 51 ILE CD1 C 13 17.968 0.01 A 51 ILE CG1 C 13 28.534 0.01 A 51 ILE CG2 C 13 13.539 0.01 A 51 ILE N N 15 125.611 0.01 A 52 ALA H H 1 8.888 0.01 A 52 ALA HA H 1 4.591 0.01 A 52 ALA HB% H 1 1.133 0.01 A 52 ALA CA C 13 51.635 0.01 A 52 ALA CB C 13 20.234 0.01 A 52 ALA N N 15 127.863 0.01 A 53 CYS H H 1 8.813 0.01 A 53 CYS HA H 1 3.741 0.01 A 53 CYS HBx H 1 2.721 0.01 A 53 CYS HBy H 1 2.938 0.01 A 53 CYS CA C 13 59.395 0.01 A 53 CYS CB C 13 29.893 0.01 A 53 CYS N N 15 121.642 0.01 A 54 PHE H H 1 8.681 0.01 A 54 PHE HA H 1 3.835 0.01 A 54 PHE HBy H 1 2.971 0.01 A 54 PHE HBx H 1 2.869 0.01 A 54 PHE HDx H 1 7.154 0.01 A 54 PHE HEx H 1 7.367 0.01 A 54 PHE CA C 13 61.756 0.01 A 54 PHE CB C 13 39.474 0.01 A 54 PHE CDx C 13 131.640 0.01 A 54 PHE CG C 13 131.743 0.01 A 54 PHE N N 15 133.880 0.01 A 55 ASP H H 1 8.252 0.01 A 55 ASP HA H 1 4.134 0.01 A 55 ASP HBx H 1 2.349 0.01 A 55 ASP HBy H 1 2.427 0.01 A 55 ASP CA C 13 57.808 0.01 A 55 ASP CB C 13 40.279 0.01 A 55 ASP N N 15 118.191 0.01 A 56 SER H H 1 8.633 0.01 A 56 SER HA H 1 4.004 0.01 A 56 SER HBx H 1 3.321 0.01 A 56 SER HBy H 1 3.424 0.01 A 56 SER CA C 13 61.262 0.01 A 56 SER CB C 13 62.420 0.01 A 56 SER N N 15 119.211 0.01 A 57 LEU H H 1 7.566 0.01 A 57 LEU HA H 1 3.854 0.01 A 57 LEU HBy H 1 1.721 0.01 A 57 LEU HBx H 1 1.428 0.01 A 57 LEU HDx% H 1 0.690 0.01 A 57 LEU HDy% H 1 0.690 0.01 A 57 LEU HG H 1 1.792 0.01 A 57 LEU CA C 13 57.618 0.01 A 57 LEU CDx C 13 23.442 0.01 A 57 LEU CDy C 13 23.442 0.01 A 57 LEU CG C 13 26.956 0.01 A 57 LEU N N 15 121.890 0.01 A 58 LYS H H 1 7.167 0.01 A 58 LYS HA H 1 4.261 0.01 A 58 LYS HBx H 1 1.477 0.01 A 58 LYS HBy H 1 1.831 0.01 A 58 LYS HDx H 1 1.411 0.01 A 58 LYS HEx H 1 2.647 0.01 A 58 LYS HEy H 1 2.803 0.01 A 58 LYS HGx H 1 1.014 0.01 A 58 LYS HGy H 1 1.112 0.01 A 58 LYS CA C 13 54.763 0.01 A 58 LYS CD C 13 28.330 0.01 A 58 LYS CE C 13 42.014 0.01 A 58 LYS CG C 13 24.253 0.01 A 58 LYS N N 15 114.936 0.01 A 59 GLY H H 1 7.554 0.01 A 59 GLY HAx H 1 3.794 0.01 A 59 GLY HAy H 1 3.887 0.01 A 59 GLY CA C 13 46.428 0.01 A 59 GLY N N 15 108.290 0.01 A 60 ARG H H 1 7.917 0.01 A 60 ARG HA H 1 4.428 0.01 A 60 ARG HBx H 1 1.564 0.01 A 60 ARG HBy H 1 1.735 0.01 A 60 ARG HDx H 1 3.064 0.01 A 60 ARG HGx H 1 1.400 0.01 A 60 ARG CA C 13 55.053 0.01 A 60 ARG CB C 13 31.769 0.01 A 60 ARG CD C 13 43.502 0.01 A 60 ARG CG C 13 27.069 0.01 A 60 ARG N N 15 118.591 0.01 A 61 CYS H H 1 8.017 0.01 A 61 CYS HA H 1 4.458 0.01 A 61 CYS HBx H 1 2.387 0.01 A 61 CYS HBy H 1 2.443 0.01 A 61 CYS CA C 13 59.415 0.01 A 61 CYS CB C 13 30.996 0.01 A 61 CYS N N 15 123.945 0.01 A 62 SER HBx H 1 3.758 0.01 A 62 SER HBy H 1 3.934 0.01 A 62 SER CB C 13 63.875 0.01 A 63 ARG H H 1 8.320 0.01 A 63 ARG HA H 1 4.174 0.01 A 63 ARG HBy H 1 1.749 0.01 A 63 ARG HBx H 1 1.681 0.01 A 63 ARG HDx H 1 3.287 0.01 A 63 ARG HDy H 1 3.376 0.01 A 63 ARG HGy H 1 1.794 0.01 A 63 ARG HGx H 1 1.647 0.01 A 63 ARG CA C 13 56.900 0.01 A 63 ARG CB C 13 31.129 0.01 A 63 ARG CD C 13 43.883 0.01 A 63 ARG CG C 13 27.901 0.01 A 63 ARG N N 15 124.322 0.01 A 64 GLU H H 1 8.842 0.01 A 64 GLU HA H 1 4.067 0.01 A 64 GLU HBx H 1 1.879 0.01 A 64 GLU HGy H 1 2.247 0.01 A 64 GLU HGx H 1 2.176 0.01 A 64 GLU CA C 13 57.302 0.01 A 64 GLU CB C 13 29.914 0.01 A 64 GLU CG C 13 36.426 0.01 A 64 GLU N N 15 125.414 0.01 A 65 ASN H H 1 8.555 0.01 A 65 ASN HA H 1 4.437 0.01 A 65 ASN HBx H 1 2.653 0.01 A 65 ASN HBy H 1 2.725 0.01 A 65 ASN CA C 13 52.620 0.01 A 65 ASN CB C 13 37.667 0.01 A 65 ASN N N 15 118.815 0.01 A 66 CYS H H 1 7.481 0.01 A 66 CYS HA H 1 3.738 0.01 A 66 CYS HBx H 1 2.654 0.01 A 66 CYS HBy H 1 2.723 0.01 A 66 CYS CA C 13 61.860 0.01 A 66 CYS CB C 13 29.541 0.01 A 66 CYS N N 15 121.188 0.01 A 67 LYS H H 1 8.090 0.01 A 67 LYS HA H 1 4.392 0.01 A 67 LYS HBx H 1 1.378 0.01 A 67 LYS HBy H 1 1.553 0.01 A 67 LYS HDx H 1 1.473 0.01 A 67 LYS HEx H 1 2.722 0.01 A 67 LYS HGx H 1 0.765 0.01 A 67 LYS HGy H 1 1.137 0.01 A 67 LYS CA C 13 56.886 0.01 A 67 LYS CB C 13 32.512 0.01 A 67 LYS CD C 13 29.289 0.01 A 67 LYS CE C 13 41.965 0.01 A 67 LYS CG C 13 23.733 0.01 A 67 LYS N N 15 126.572 0.01 A 68 TYR H H 1 8.591 0.01 A 68 TYR HA H 1 4.952 0.01 A 68 TYR HBy H 1 2.971 0.01 A 68 TYR HBx H 1 2.869 0.01 A 68 TYR HDx H 1 7.225 0.01 A 68 TYR HEx H 1 6.748 0.01 A 68 TYR CA C 13 56.047 0.01 A 68 TYR CB C 13 39.474 0.01 A 68 TYR CDx C 13 117.713 0.01 A 68 TYR CG C 13 133.625 0.01 A 68 TYR N N 15 122.394 0.01 A 69 LEU H H 1 8.639 0.01 A 69 LEU HA H 1 4.114 0.01 A 69 LEU HBx H 1 1.307 0.01 A 69 LEU HBy H 1 1.427 0.01 A 69 LEU HDx% H 1 0.878 0.01 A 69 LEU HDy% H 1 0.701 0.01 A 69 LEU HG H 1 1.104 0.01 A 69 LEU CA C 13 55.745 0.01 A 69 LEU CB C 13 44.203 0.01 A 69 LEU CDx C 13 24.383 0.01 A 69 LEU CDy C 13 27.673 0.01 A 69 LEU CG C 13 27.516 0.01 A 69 LEU N N 15 121.614 0.01 A 70 HIS H H 1 9.180 0.01 A 70 HIS HA H 1 5.312 0.01 A 70 HIS HBx H 1 2.988 0.01 A 70 HIS HBy H 1 3.221 0.01 A 70 HIS HD2 H 1 6.956 0.01 A 70 HIS HE1 H 1 7.894 0.01 A 70 HIS CA C 13 52.456 0.01 A 70 HIS CB C 13 27.210 0.01 A 70 HIS CD2 C 13 125.286 0.01 A 70 HIS CE1 C 13 139.353 0.01 A 70 HIS N N 15 131.110 0.01 A 71 PRO HDx H 1 3.588 0.01 A 71 PRO HDy H 1 4.256 0.01 A 71 PRO CD C 13 51.137 0.01 A 72 PRO HA H 1 4.863 0.01 A 72 PRO HBy H 1 2.368 0.01 A 72 PRO HBx H 1 2.265 0.01 A 72 PRO HDx H 1 3.281 0.01 A 72 PRO HDy H 1 3.834 0.01 A 72 PRO HGy H 1 2.192 0.01 A 72 PRO HGx H 1 1.997 0.01 A 72 PRO CA C 13 61.495 0.01 A 72 PRO CB C 13 30.509 0.01 A 72 PRO CD C 13 51.022 0.01 A 72 PRO CG C 13 27.809 0.01 A 73 PRO HA H 1 4.034 0.01 A 73 PRO HBy H 1 2.402 0.01 A 73 PRO HBx H 1 2.052 0.01 A 73 PRO CA C 13 66.893 0.01 A 73 PRO CB C 13 32.698 0.01 A 74 HIS HBx H 1 3.021 0.01 A 75 LEU H H 1 6.571 0.01 A 75 LEU HA H 1 4.016 0.01 A 75 LEU HBx H 1 1.023 0.01 A 75 LEU HBy H 1 1.219 0.01 A 75 LEU HDx% H 1 0.463 0.01 A 75 LEU HDy% H 1 0.376 0.01 A 75 LEU HG H 1 0.297 0.01 A 75 LEU CA C 13 55.951 0.01 A 75 LEU CB C 13 41.562 0.01 A 75 LEU CDy C 13 24.741 0.01 A 75 LEU CDx C 13 22.260 0.01 A 75 LEU CG C 13 26.539 0.01 A 75 LEU N N 15 121.587 0.01 A 76 LYS H H 1 7.981 0.01 A 76 LYS HA H 1 3.628 0.01 A 76 LYS HBx H 1 1.665 0.01 A 76 LYS HBy H 1 1.831 0.01 A 76 LYS HDx H 1 1.610 0.01 A 76 LYS HEx H 1 2.803 0.01 A 76 LYS HEy H 1 2.925 0.01 A 76 LYS HGy H 1 1.314 0.01 A 76 LYS HGx H 1 1.129 0.01 A 76 LYS CA C 13 60.898 0.01 A 76 LYS CB C 13 32.347 0.01 A 76 LYS CD C 13 29.834 0.01 A 76 LYS CE C 13 41.988 0.01 A 76 LYS CG C 13 25.896 0.01 A 76 LYS N N 15 120.541 0.01 A 77 THR H H 1 7.964 0.01 A 77 THR HA H 1 3.916 0.01 A 77 THR HB H 1 4.100 0.01 A 77 THR HG2% H 1 1.206 0.01 A 77 THR CA C 13 66.295 0.01 A 77 THR CB C 13 68.880 0.01 A 77 THR CG2 C 13 22.020 0.01 A 77 THR N N 15 113.438 0.01 A 78 GLN H H 1 7.167 0.01 A 78 GLN HA H 1 3.945 0.01 A 78 GLN HBx H 1 2.104 0.01 A 78 GLN HGx H 1 2.275 0.01 A 78 GLN HGy H 1 2.333 0.01 A 78 GLN CA C 13 58.766 0.01 A 78 GLN CB C 13 29.160 0.01 A 78 GLN CG C 13 33.876 0.01 A 78 GLN N N 15 119.201 0.01 A 79 LEU H H 1 7.861 0.01 A 79 LEU HA H 1 4.173 0.01 A 79 LEU HBy H 1 2.000 0.01 A 79 LEU HBx H 1 1.357 0.01 A 79 LEU HDx% H 1 0.845 0.01 A 79 LEU HDy% H 1 0.634 0.01 A 79 LEU HG H 1 1.792 0.01 A 79 LEU CA C 13 57.576 0.01 A 79 LEU CB C 13 42.508 0.01 A 79 LEU CDx C 13 21.276 0.01 A 79 LEU CDy C 13 27.114 0.01 A 79 LEU CG C 13 26.956 0.01 A 79 LEU N N 15 118.582 0.01 A 80 GLU H H 1 8.054 0.01 A 80 GLU HBy H 1 2.173 0.01 A 80 GLU HBx H 1 2.020 0.01 A 80 GLU HGx H 1 2.117 0.01 A 80 GLU HGy H 1 2.394 0.01 A 80 GLU CB C 13 29.804 0.01 A 80 GLU CG C 13 36.930 0.01 A 80 GLU N N 15 118.599 0.01 A 81 ILE H H 1 7.955 0.01 A 81 ILE HB H 1 1.868 0.01 A 81 ILE HG1y H 1 1.591 0.01 A 81 ILE HG1x H 1 1.085 0.01 A 81 ILE HG2% H 1 0.763 0.01 A 81 ILE CB C 13 38.358 0.01 A 81 ILE CG1 C 13 28.534 0.01 A 81 ILE CG2 C 13 13.539 0.01 A 81 ILE N N 15 119.468 0.01 A 82 ASN H H 1 8.267 0.01 A 82 ASN HA H 1 4.514 0.01 A 82 ASN HBx H 1 2.912 0.01 A 82 ASN HBy H 1 3.010 0.01 A 82 ASN CA C 13 54.940 0.01 A 82 ASN CB C 13 38.448 0.01 A 82 ASN N N 15 119.268 0.01 A 83 GLY H H 1 8.292 0.01 A 83 GLY HAy H 1 3.514 0.01 A 83 GLY HAx H 1 3.390 0.01 A 83 GLY CA C 13 45.911 0.01 A 83 GLY N N 15 107.616 0.01 A 84 ARG H H 1 7.574 0.01 A 84 ARG HA H 1 4.032 0.01 A 84 ARG HBx H 1 1.773 0.01 A 84 ARG HDx H 1 3.064 0.01 A 84 ARG HGy H 1 1.624 0.01 A 84 ARG HGx H 1 1.513 0.01 A 84 ARG CA C 13 57.800 0.01 A 84 ARG CB C 13 30.324 0.01 A 84 ARG CD C 13 43.502 0.01 A 84 ARG CG C 13 27.341 0.01 A 84 ARG N N 15 119.923 0.01 A 85 ASN H H 1 8.162 0.01 A 85 ASN HA H 1 4.530 0.01 A 85 ASN HBx H 1 2.664 0.01 A 85 ASN HBy H 1 2.744 0.01 A 85 ASN CA C 13 54.023 0.01 A 85 ASN CB C 13 38.523 0.01 A 85 ASN N N 15 117.089 0.01 A 86 ASN H H 1 7.979 0.01 A 86 ASN HA H 1 4.530 0.01 A 86 ASN HBy H 1 2.588 0.01 A 86 ASN HBx H 1 2.407 0.01 A 86 ASN CA C 13 54.023 0.01 A 86 ASN CB C 13 38.950 0.01 A 86 ASN N N 15 117.744 0.01 A 87 LEU H H 1 7.838 0.01 A 87 LEU HA H 1 4.242 0.01 A 87 LEU HBx H 1 1.505 0.01 A 87 LEU HBy H 1 1.599 0.01 A 87 LEU HDx% H 1 0.821 0.01 A 87 LEU HDy% H 1 0.765 0.01 A 87 LEU HG H 1 1.513 0.01 A 87 LEU CA C 13 55.836 0.01 A 87 LEU CB C 13 42.322 0.01 A 87 LEU CDy C 13 25.240 0.01 A 87 LEU CDx C 13 23.733 0.01 A 87 LEU CG C 13 27.185 0.01 A 87 LEU N N 15 120.408 0.01 A 88 ILE H H 1 7.791 0.01 A 88 ILE HA H 1 4.041 0.01 A 88 ILE HB H 1 1.792 0.01 A 88 ILE HD1% H 1 0.798 0.01 A 88 ILE HG1y H 1 1.381 0.01 A 88 ILE HG1x H 1 1.104 0.01 A 88 ILE HG2% H 1 0.762 0.01 A 88 ILE CA C 13 61.331 0.01 A 88 ILE CB C 13 38.594 0.01 A 88 ILE CD1 C 13 17.665 0.01 A 88 ILE CG1 C 13 27.512 0.01 A 88 ILE CG2 C 13 12.951 0.01 A 88 ILE N N 15 119.777 0.01 A 89 GLN H H 1 8.231 0.01 A 89 GLN N N 15 123.260 0.01 A 90 GLN H H 1 8.295 0.01 A 90 GLN N N 15 121.701 0.01 A 91 LYS H H 1 8.294 0.01 A 91 LYS HBx H 1 1.676 0.01 A 91 LYS HBy H 1 1.794 0.01 A 91 LYS HDx H 1 1.605 0.01 A 91 LYS HGx H 1 1.373 0.01 A 91 LYS CB C 13 33.288 0.01 A 91 LYS CD C 13 29.037 0.01 A 91 LYS CG C 13 24.732 0.01 A 91 LYS N N 15 122.875 0.01 A 92 ASN H H 1 8.022 0.01 A 92 ASN HA H 1 4.403 0.01 A 92 ASN HBx H 1 2.585 0.01 A 92 ASN HBy H 1 2.691 0.01 A 92 ASN CA C 13 54.830 0.01 A 92 ASN CB C 13 40.482 0.01 A 92 ASN N N 15 125.265 0.01 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _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 6 THR H A 5 VAL HGx% 1.0 . 4.97 2 1 A 5 VAL HG21 A 6 THR H 1.0 . 4.97 3 2 A 6 THR HA A 6 THR HG2% 1.0 . 3.34 4 3 A 6 THR HA A 7 PRO HDx 1.0 . 2.99 5 4 A 6 THR HA A 7 PRO HDy 1.0 . 2.99 6 5 A 6 THR HA A 7 PRO HDy 1.0 . 2.61 7 5 A 6 THR HA A 7 PRO HDx 1.0 . 2.61 8 6 A 6 THR HA A 7 PRO HGx 1.0 . 4.65 9 6 A 6 THR HA A 7 PRO HGy 1.0 . 4.65 10 7 A 6 THR HB A 7 PRO HDy 1.0 . 3.51 11 7 A 7 PRO HDx A 6 THR HB 1.0 . 3.51 12 8 A 6 THR HG2% A 7 PRO HDx 1.0 . 4.15 13 9 A 6 THR HG2% A 7 PRO HDy 1.0 . 4.15 14 10 A 6 THR HG2% A 7 PRO HDy 1.0 . 3.48 15 10 A 6 THR HG2% A 7 PRO HDx 1.0 . 3.48 16 11 A 7 PRO HA A 8 ILE H 1.0 . 5.07 17 12 A 7 PRO HA A 8 ILE HG2% 1.0 . 4.79 18 13 A 8 ILE H A 7 PRO HBy 1.0 . 4.57 19 14 A 8 ILE H A 7 PRO HBx 1.0 . 4.57 20 15 A 8 ILE H A 7 PRO HBy 1.0 . 3.94 21 15 A 8 ILE H A 7 PRO HBx 1.0 . 3.94 22 16 A 8 ILE H A 8 ILE HG1x 1.0 . 4.89 23 16 A 8 ILE H A 8 ILE HG1y 1.0 . 4.89 24 17 A 8 ILE H A 8 ILE HG2% 1.0 . 4.44 25 18 A 8 ILE HG1y A 8 ILE HA 1.0 . 4.25 26 19 A 8 ILE HA A 8 ILE HG1x 1.0 . 4.25 27 20 A 8 ILE HA A 8 ILE HD1% 1.0 . 4.24 28 21 A 8 ILE HA A 8 ILE HG1x 1.0 . 3.66 29 21 A 8 ILE HG1y A 8 ILE HA 1.0 . 3.66 30 22 A 8 ILE HG2% A 8 ILE HA 1.0 . 3.38 31 23 A 8 ILE HD1% A 8 ILE HB 1.0 . 3.64 32 24 A 8 ILE HB A 9 ARG H 1.0 . 5.13 33 25 A 8 ILE HG2% A 8 ILE HG1y 1.0 . 3.54 34 26 A 8 ILE HG2% A 8 ILE HG1x 1.0 . 3.54 35 27 A 9 ARG H A 9 ARG HGx 1.0 . 5.39 36 28 A 9 ARG H A 9 ARG HGy 1.0 . 5.39 37 29 A 9 ARG H A 9 ARG HGx 1.0 . 4.64 38 29 A 9 ARG H A 9 ARG HGy 1.0 . 4.64 39 30 A 9 ARG HA A 9 ARG HGx 1.0 . 3.86 40 31 A 9 ARG HGy A 9 ARG HA 1.0 . 3.86 41 32 A 9 ARG HA A 9 ARG HDx 1.0 . 4.07 42 32 A 9 ARG HA A 9 ARG HDy 1.0 . 4.07 43 33 A 9 ARG HDy A 9 ARG HBx 1.0 . 3.86 44 33 A 9 ARG HBx A 9 ARG HDx 1.0 . 3.86 45 34 A 9 ARG HDy A 9 ARG HBy 1.0 . 3.86 46 34 A 9 ARG HBy A 9 ARG HDx 1.0 . 3.86 47 35 A 9 ARG HBy A 9 ARG HDx 1.0 . 3.38 48 35 A 9 ARG HBx A 9 ARG HDx 1.0 . 3.38 49 35 A 9 ARG HDy A 9 ARG HBx 1.0 . 3.38 50 35 A 9 ARG HDy A 9 ARG HBy 1.0 . 3.38 51 36 A 10 ASP HA A 11 THR HA 1.0 . 5.75 52 37 A 10 ASP HA A 11 THR HG2% 1.0 . 5.75 53 38 A 11 THR HG2% A 11 THR H 1.0 . 4.80 54 39 A 11 THR HA A 11 THR HB 1.0 . 2.93 55 40 A 11 THR HA A 11 THR HG2% 1.0 . 2.98 56 41 A 11 THR HA A 13 TRP H 1.0 . 4.80 57 42 A 11 THR HA A 13 TRP HZ3 1.0 . 5.08 58 43 A 11 THR HA A 14 LEU HBx 1.0 . 4.43 59 44 A 11 THR HA A 14 LEU HG 1.0 . 4.02 60 45 A 11 THR HA A 14 LEU HDx% 1.0 . 3.65 61 46 A 11 THR HA A 51 ILE HG2% 1.0 . 4.88 62 47 A 11 THR HB A 14 LEU HBx 1.0 . 4.14 63 48 A 11 THR HB A 14 LEU HBy 1.0 . 4.27 64 49 A 11 THR HB A 14 LEU HDx% 1.0 . 4.09 65 50 A 11 THR HB A 14 LEU HDy% 1.0 . 5.17 66 51 A 11 THR HB A 51 ILE HD1% 1.0 . 3.95 67 52 A 11 THR HB A 51 ILE HG2% 1.0 . 3.86 68 53 A 11 THR HG2% A 14 LEU HDx% 1.0 . 3.80 69 54 A 11 THR HG2% A 14 LEU HDy% 1.0 . 4.66 70 55 A 11 THR HG2% A 51 ILE HD1% 1.0 . 3.99 71 56 A 11 THR HG2% A 51 ILE HG2% 1.0 . 3.46 72 57 A 11 THR HG2% A 52 ALA H 1.0 . 5.31 73 58 A 11 THR HG2% A 54 PHE HE% 1.0 . 4.93 74 59 A 11 THR HG2% A 68 TYR HE% 1.0 . 5.25 75 60 A 12 LYS H A 12 LYS HGy 1.0 . 4.65 76 60 A 12 LYS H A 12 LYS HGx 1.0 . 4.65 77 61 A 13 TRP H A 12 LYS H 1.0 . 4.95 78 62 A 12 LYS HGx A 12 LYS HA 1.0 . 3.96 79 63 A 12 LYS HA A 12 LYS HGy 1.0 . 3.96 80 64 A 12 LYS HA A 12 LYS HEx 1.0 . 5.44 81 64 A 12 LYS HA A 12 LYS HEy 1.0 . 5.44 82 65 A 12 LYS HA A 12 LYS HGy 1.0 . 3.43 83 65 A 12 LYS HGx A 12 LYS HA 1.0 . 3.43 84 66 A 12 LYS HEy A 12 LYS HBy 1.0 . 5.04 85 66 A 12 LYS HBy A 12 LYS HEx 1.0 . 5.04 86 67 A 13 TRP H A 12 LYS HBy 1.0 . 4.34 87 68 A 12 LYS HEy A 12 LYS HBx 1.0 . 5.04 88 68 A 12 LYS HBx A 12 LYS HEx 1.0 . 5.04 89 69 A 13 TRP H A 12 LYS HBx 1.0 . 4.34 90 70 A 12 LYS HGx A 12 LYS HEy 1.0 . 4.21 91 70 A 12 LYS HGx A 12 LYS HEx 1.0 . 4.21 92 71 A 12 LYS HGx A 13 TRP HA 1.0 . 5.46 93 72 A 12 LYS HEy A 12 LYS HGy 1.0 . 4.21 94 72 A 12 LYS HEx A 12 LYS HGy 1.0 . 4.21 95 73 A 13 TRP HA A 12 LYS HGy 1.0 . 5.46 96 74 A 13 TRP HA A 12 LYS HBx 1.0 . 5.34 97 74 A 13 TRP HA A 12 LYS HBy 1.0 . 5.34 98 75 A 13 TRP H A 12 LYS HGy 1.0 . 4.85 99 75 A 13 TRP H A 12 LYS HGx 1.0 . 4.85 100 76 A 13 TRP HA A 12 LYS HGy 1.0 . 4.79 101 76 A 12 LYS HGx A 13 TRP HA 1.0 . 4.79 102 77 A 13 TRP H A 13 TRP HBy 1.0 . 3.86 103 78 A 13 TRP H A 13 TRP HBx 1.0 . 3.71 104 79 A 13 TRP H A 13 TRP HD1 1.0 . 5.09 105 80 A 13 TRP H A 14 LEU H 1.0 . 3.97 106 81 A 13 TRP H A 14 LEU HBx 1.0 . 5.75 107 82 A 13 TRP H A 15 THR H 1.0 . 5.75 108 83 A 13 TRP HA A 13 TRP HD1 1.0 . 4.39 109 84 A 14 LEU HG A 13 TRP HA 1.0 . 5.11 110 85 A 14 LEU HDy% A 13 TRP HA 1.0 . 5.75 111 86 A 13 TRP HA A 82 ASN HBx 1.0 . 3.95 112 87 A 13 TRP HA A 82 ASN HBy 1.0 . 3.95 113 88 A 13 TRP HA A 82 ASN HBy 1.0 . 3.36 114 88 A 13 TRP HA A 82 ASN HBx 1.0 . 3.36 115 89 A 13 TRP HA A 83 GLY HAy 1.0 . 5.48 116 90 A 13 TRP HA A 83 GLY HAx 1.0 . 5.75 117 91 A 13 TRP HBy A 14 LEU HA 1.0 . 5.41 118 92 A 14 LEU HG A 13 TRP HBy 1.0 . 5.29 119 93 A 14 LEU HDy% A 13 TRP HBy 1.0 . 5.75 120 94 A 13 TRP HBy A 82 ASN HBy 1.0 . 4.78 121 94 A 13 TRP HBy A 82 ASN HBx 1.0 . 4.78 122 95 A 13 TRP HZ3 A 13 TRP HBx 1.0 . 5.07 123 96 A 13 TRP HBx A 14 LEU H 1.0 . 4.73 124 97 A 14 LEU HG A 13 TRP HBx 1.0 . 4.93 125 98 A 14 LEU HDy% A 13 TRP HBx 1.0 . 5.41 126 99 A 13 TRP HD1 A 14 LEU H 1.0 . 4.89 127 100 A 13 TRP HD1 A 14 LEU HA 1.0 . 5.35 128 101 A 14 LEU HG A 13 TRP HD1 1.0 . 5.75 129 102 A 14 LEU HDy% A 13 TRP HD1 1.0 . 4.84 130 103 A 13 TRP HD1 A 79 LEU HA 1.0 . 5.75 131 104 A 13 TRP HD1 A 79 LEU HBy 1.0 . 5.75 132 105 A 13 TRP HD1 A 79 LEU HBx 1.0 . 5.75 133 106 A 13 TRP HD1 A 79 LEU HDx% 1.0 . 5.49 134 107 A 13 TRP HD1 A 79 LEU HDy% 1.0 . 4.88 135 108 A 13 TRP HD1 A 80 GLU HA 1.0 . 5.75 136 109 A 13 TRP HD1 A 82 ASN HBx 1.0 . 5.15 137 110 A 13 TRP HD1 A 82 ASN HBy 1.0 . 5.15 138 111 A 13 TRP HD1 A 83 GLY HAy 1.0 . 5.00 139 112 A 13 TRP HD1 A 83 GLY HAx 1.0 . 5.01 140 113 A 13 TRP HZ3 A 14 LEU HG 1.0 . 4.76 141 114 A 13 TRP HZ3 A 14 LEU HDx% 1.0 . 4.53 142 115 A 13 TRP HZ3 A 14 LEU HDy% 1.0 . 4.89 143 116 A 13 TRP HZ3 A 58 LYS HDx 1.0 . 5.75 144 116 A 13 TRP HZ3 A 58 LYS HDy 1.0 . 5.75 145 117 A 13 TRP HZ3 A 83 GLY HAy 1.0 . 5.75 146 118 A 13 TRP HZ3 A 83 GLY HAx 1.0 . 5.75 147 119 A 13 TRP HZ3 A 86 ASN HBx 1.0 . 5.32 148 119 A 13 TRP HZ3 A 86 ASN HBy 1.0 . 5.32 149 120 A 14 LEU HBx A 14 LEU H 1.0 . 3.92 150 121 A 14 LEU HG A 14 LEU H 1.0 . 4.14 151 122 A 14 LEU HDx% A 14 LEU H 1.0 . 4.46 152 123 A 14 LEU HDy% A 14 LEU H 1.0 . 3.79 153 124 A 14 LEU H A 15 THR H 1.0 . 4.07 154 125 A 14 LEU H A 79 LEU HDx% 1.0 . 5.75 155 126 A 14 LEU HDx% A 14 LEU HA 1.0 . 4.07 156 127 A 14 LEU HDy% A 14 LEU HA 1.0 . 3.16 157 128 A 15 THR H A 14 LEU HA 1.0 . 4.36 158 129 A 14 LEU HA A 16 LEU H 1.0 . 5.07 159 130 A 14 LEU HA A 16 LEU HBy 1.0 . 5.29 160 131 A 52 ALA H A 14 LEU HA 1.0 . 4.44 161 132 A 14 LEU HA A 52 ALA HB% 1.0 . 3.95 162 133 A 14 LEU HA A 79 LEU HG 1.0 . 5.40 163 134 A 14 LEU HA A 79 LEU HBy 1.0 . 5.34 164 134 A 14 LEU HA A 79 LEU HBx 1.0 . 5.34 165 135 A 14 LEU HA A 79 LEU HDx% 1.0 . 4.03 166 136 A 14 LEU HA A 79 LEU HDy% 1.0 . 3.39 167 137 A 14 LEU HBx A 14 LEU HDx% 1.0 . 3.44 168 138 A 14 LEU HBx A 14 LEU HDy% 1.0 . 3.54 169 139 A 14 LEU HBx A 15 THR H 1.0 . 4.43 170 140 A 14 LEU HBx A 15 THR HA 1.0 . 5.75 171 141 A 14 LEU HBx A 51 ILE HA 1.0 . 4.88 172 142 A 14 LEU HBx A 51 ILE HG2% 1.0 . 3.63 173 143 A 14 LEU HBx A 52 ALA H 1.0 . 4.14 174 144 A 14 LEU HBx A 52 ALA HB% 1.0 . 4.04 175 145 A 14 LEU HDx% A 14 LEU HBy 1.0 . 3.46 176 146 A 14 LEU HBy A 14 LEU HDy% 1.0 . 3.48 177 147 A 14 LEU HBy A 15 THR H 1.0 . 4.39 178 148 A 14 LEU HBy A 15 THR HA 1.0 . 4.54 179 149 A 14 LEU HBy A 51 ILE HA 1.0 . 4.21 180 150 A 51 ILE HG2% A 14 LEU HBy 1.0 . 4.20 181 151 A 14 LEU HBy A 52 ALA H 1.0 . 3.75 182 152 A 14 LEU HBy A 52 ALA HA 1.0 . 4.69 183 153 A 14 LEU HBy A 52 ALA HB% 1.0 . 3.61 184 154 A 14 LEU HBy A 54 PHE HD% 1.0 . 5.75 185 155 A 14 LEU HG A 15 THR H 1.0 . 5.08 186 156 A 14 LEU HG A 52 ALA HB% 1.0 . 4.33 187 157 A 14 LEU HG A 54 PHE HD% 1.0 . 5.75 188 158 A 14 LEU HDx% A 51 ILE HG2% 1.0 . 3.81 189 159 A 14 LEU HDx% A 52 ALA H 1.0 . 4.56 190 160 A 14 LEU HDx% A 52 ALA HA 1.0 . 5.75 191 161 A 14 LEU HDx% A 52 ALA HB% 1.0 . 3.99 192 162 A 14 LEU HDx% A 53 CYS HA 1.0 . 5.75 193 163 A 14 LEU HDx% A 54 PHE H 1.0 . 4.35 194 164 A 14 LEU HDx% A 54 PHE HA 1.0 . 4.30 195 165 A 14 LEU HDx% A 54 PHE HBy 1.0 . 4.09 196 166 A 14 LEU HDx% A 54 PHE HBx 1.0 . 3.91 197 167 A 14 LEU HDx% A 54 PHE HD% 1.0 . 4.28 198 168 A 14 LEU HDx% A 54 PHE HE% 1.0 . 5.10 199 169 A 14 LEU HDy% A 51 ILE HA 1.0 . 5.75 200 170 A 51 ILE HG2% A 14 LEU HDy% 1.0 . 4.55 201 171 A 14 LEU HDy% A 52 ALA H 1.0 . 4.34 202 172 A 14 LEU HDy% A 52 ALA HA 1.0 . 5.33 203 173 A 14 LEU HDy% A 52 ALA HB% 1.0 . 3.30 204 174 A 14 LEU HDy% A 53 CYS HA 1.0 . 5.75 205 175 A 14 LEU HDy% A 54 PHE H 1.0 . 4.89 206 176 A 14 LEU HDy% A 54 PHE HA 1.0 . 4.07 207 177 A 14 LEU HDy% A 54 PHE HBy 1.0 . 4.63 208 178 A 14 LEU HDy% A 54 PHE HBx 1.0 . 4.51 209 179 A 14 LEU HDy% A 54 PHE HD% 1.0 . 4.33 210 180 A 14 LEU HDy% A 54 PHE HE% 1.0 . 5.75 211 181 A 14 LEU HDy% A 57 LEU HBy 1.0 . 5.44 212 182 A 14 LEU HDy% A 57 LEU HBx 1.0 . 5.75 213 183 A 14 LEU HDy% A 57 LEU HG 1.0 . 5.75 214 184 A 14 LEU HDy% A 79 LEU HA 1.0 . 5.07 215 185 A 14 LEU HDy% A 79 LEU HBy 1.0 . 5.25 216 186 A 14 LEU HDy% A 79 LEU HBx 1.0 . 5.25 217 187 A 14 LEU HDy% A 79 LEU HG 1.0 . 5.75 218 188 A 14 LEU HDy% A 79 LEU HBy 1.0 . 4.56 219 188 A 14 LEU HDy% A 79 LEU HBx 1.0 . 4.56 220 189 A 14 LEU HDy% A 79 LEU HDx% 1.0 . 3.91 221 190 A 15 THR H A 15 THR HG2% 1.0 . 4.06 222 191 A 15 THR H A 16 LEU H 1.0 . 4.81 223 192 A 51 ILE HD1% A 15 THR H 1.0 . 5.13 224 193 A 51 ILE HG2% A 15 THR H 1.0 . 4.71 225 194 A 15 THR H A 79 LEU HDx% 1.0 . 5.75 226 195 A 15 THR HA A 15 THR HG2% 1.0 . 3.14 227 196 A 16 LEU H A 15 THR HA 1.0 . 4.05 228 197 A 15 THR HA A 49 ARG HBx 1.0 . 5.75 229 198 A 15 THR HA A 49 ARG HBy 1.0 . 5.43 230 199 A 15 THR HA A 51 ILE HA 1.0 . 3.14 231 200 A 15 THR HA A 51 ILE HB 1.0 . 5.16 232 201 A 15 THR HA A 51 ILE HG1y 1.0 . 4.23 233 202 A 51 ILE HD1% A 15 THR HA 1.0 . 5.39 234 203 A 51 ILE HG2% A 15 THR HA 1.0 . 4.84 235 204 A 52 ALA H A 15 THR HA 1.0 . 3.98 236 205 A 52 ALA HB% A 15 THR HA 1.0 . 4.86 237 206 A 16 LEU H A 15 THR HB 1.0 . 5.70 238 207 A 15 THR HB A 16 LEU HA 1.0 . 5.63 239 208 A 49 ARG HBx A 15 THR HB 1.0 . 4.85 240 209 A 49 ARG HBy A 15 THR HB 1.0 . 5.06 241 210 A 15 THR HB A 49 ARG HDx 1.0 . 4.12 242 211 A 15 THR HB A 49 ARG HDy 1.0 . 4.75 243 212 A 15 THR HB A 50 VAL H 1.0 . 5.75 244 213 A 51 ILE HA A 15 THR HB 1.0 . 4.95 245 214 A 51 ILE HG1y A 15 THR HB 1.0 . 5.75 246 215 A 51 ILE HD1% A 15 THR HB 1.0 . 5.08 247 216 A 15 THR HG2% A 49 ARG H 1.0 . 5.22 248 217 A 15 THR HG2% A 49 ARG HA 1.0 . 4.60 249 218 A 15 THR HG2% A 49 ARG HBx 1.0 . 3.47 250 219 A 15 THR HG2% A 49 ARG HBy 1.0 . 3.73 251 220 A 15 THR HG2% A 49 ARG HDx 1.0 . 3.56 252 221 A 15 THR HG2% A 49 ARG HDy 1.0 . 4.19 253 222 A 15 THR HG2% A 49 ARG HGy 1.0 . 4.59 254 223 A 15 THR HG2% A 50 VAL H 1.0 . 4.03 255 224 A 15 THR HG2% A 50 VAL HA 1.0 . 4.67 256 225 A 15 THR HG2% A 51 ILE H 1.0 . 4.73 257 226 A 51 ILE HA A 15 THR HG2% 1.0 . 3.50 258 227 A 51 ILE HD1% A 15 THR HG2% 1.0 . 3.15 259 228 A 16 LEU H A 16 LEU HBy 1.0 . 3.78 260 229 A 16 LEU H A 16 LEU HBx 1.0 . 3.83 261 230 A 16 LEU H A 16 LEU HDy% 1.0 . 4.44 262 230 A 16 LEU H A 16 LEU HDx% 1.0 . 4.44 263 231 A 16 LEU H A 51 ILE HA 1.0 . 4.00 264 232 A 79 LEU HDy% A 16 LEU H 1.0 . 4.85 265 233 A 16 LEU HA A 16 LEU HG 1.0 . 3.64 266 234 A 16 LEU HA A 16 LEU HDx% 1.0 . 3.75 267 235 A 16 LEU HA A 16 LEU HDy% 1.0 . 3.75 268 236 A 16 LEU HA A 16 LEU HDy% 1.0 . 2.83 269 236 A 16 LEU HA A 16 LEU HDx% 1.0 . 2.83 270 237 A 16 LEU HA A 17 GLU HA 1.0 . 4.85 271 238 A 16 LEU HA A 17 GLU HGx 1.0 . 5.49 272 239 A 16 LEU HA A 17 GLU HGy 1.0 . 5.49 273 240 A 16 LEU HA A 17 GLU HBx 1.0 . 4.79 274 240 A 16 LEU HA A 17 GLU HBy 1.0 . 4.79 275 241 A 16 LEU HA A 37 ALA HB% 1.0 . 5.46 276 242 A 49 ARG HBy A 16 LEU HA 1.0 . 5.75 277 243 A 16 LEU HA A 75 LEU HDx% 1.0 . 5.75 278 244 A 16 LEU HA A 75 LEU HDy% 1.0 . 5.75 279 245 A 16 LEU HBy A 16 LEU HDx% 1.0 . 3.85 280 246 A 16 LEU HBy A 16 LEU HDy% 1.0 . 3.85 281 247 A 16 LEU HBy A 17 GLU H 1.0 . 4.67 282 248 A 16 LEU HBy A 37 ALA HB% 1.0 . 3.86 283 249 A 79 LEU HDy% A 16 LEU HBy 1.0 . 4.15 284 250 A 16 LEU HBx A 16 LEU HDx% 1.0 . 3.60 285 251 A 16 LEU HBx A 16 LEU HDy% 1.0 . 3.60 286 252 A 16 LEU HBx A 16 LEU HDy% 1.0 . 3.14 287 252 A 16 LEU HBx A 16 LEU HDx% 1.0 . 3.14 288 253 A 16 LEU HBx A 17 GLU H 1.0 . 4.64 289 254 A 16 LEU HBx A 18 VAL HA 1.0 . 5.75 290 255 A 16 LEU HBx A 37 ALA H 1.0 . 5.47 291 256 A 16 LEU HBx A 37 ALA HB% 1.0 . 3.81 292 257 A 16 LEU HG A 17 GLU H 1.0 . 4.83 293 258 A 16 LEU HG A 37 ALA H 1.0 . 5.75 294 259 A 16 LEU HDx% A 75 LEU HA 1.0 . 5.75 295 260 A 16 LEU HDx% A 75 LEU HBx 1.0 . 5.00 296 261 A 16 LEU HDx% A 75 LEU HBy 1.0 . 4.17 297 262 A 16 LEU HDx% A 75 LEU HDx% 1.0 . 3.55 298 263 A 16 LEU HDx% A 75 LEU HDy% 1.0 . 3.67 299 264 A 16 LEU HDx% A 78 GLN HBy 1.0 . 4.77 300 264 A 16 LEU HDx% A 78 GLN HBx 1.0 . 4.77 301 265 A 75 LEU HA A 16 LEU HDy% 1.0 . 5.75 302 266 A 75 LEU HBx A 16 LEU HDy% 1.0 . 5.00 303 267 A 75 LEU HBy A 16 LEU HDy% 1.0 . 4.17 304 268 A 75 LEU HDx% A 16 LEU HDy% 1.0 . 3.55 305 269 A 75 LEU HDy% A 16 LEU HDy% 1.0 . 3.67 306 270 A 78 GLN HBy A 16 LEU HDy% 1.0 . 4.77 307 270 A 16 LEU HDy% A 78 GLN HBx 1.0 . 4.77 308 271 A 17 GLU H A 16 LEU HDy% 1.0 . 3.84 309 271 A 16 LEU HDx% A 17 GLU H 1.0 . 3.84 310 272 A 17 GLU HA A 16 LEU HDy% 1.0 . 4.91 311 272 A 16 LEU HDx% A 17 GLU HA 1.0 . 4.91 312 273 A 16 LEU HDx% A 17 GLU HBx 1.0 . 3.76 313 273 A 16 LEU HDy% A 17 GLU HBx 1.0 . 3.76 314 273 A 17 GLU HBy A 16 LEU HDy% 1.0 . 3.76 315 273 A 16 LEU HDx% A 17 GLU HBy 1.0 . 3.76 316 274 A 36 PHE HA A 16 LEU HDy% 1.0 . 4.66 317 274 A 16 LEU HDx% A 36 PHE HA 1.0 . 4.66 318 275 A 37 ALA H A 16 LEU HDy% 1.0 . 4.70 319 275 A 16 LEU HDx% A 37 ALA H 1.0 . 4.70 320 276 A 37 ALA HA A 16 LEU HDy% 1.0 . 3.74 321 276 A 16 LEU HDx% A 37 ALA HA 1.0 . 3.74 322 277 A 52 ALA HB% A 16 LEU HDy% 1.0 . 4.00 323 277 A 52 ALA HB% A 16 LEU HDx% 1.0 . 4.00 324 278 A 72 PRO HDx A 16 LEU HDy% 1.0 . 3.97 325 278 A 16 LEU HDx% A 72 PRO HDx 1.0 . 3.97 326 279 A 72 PRO HDy A 16 LEU HDy% 1.0 . 3.93 327 279 A 16 LEU HDx% A 72 PRO HDy 1.0 . 3.93 328 280 A 75 LEU HA A 16 LEU HDy% 1.0 . 4.19 329 280 A 16 LEU HDx% A 75 LEU HA 1.0 . 4.19 330 281 A 75 LEU HBx A 16 LEU HDy% 1.0 . 3.97 331 281 A 16 LEU HDx% A 75 LEU HBx 1.0 . 3.97 332 282 A 75 LEU HBy A 16 LEU HDy% 1.0 . 3.29 333 282 A 16 LEU HDx% A 75 LEU HBy 1.0 . 3.29 334 283 A 75 LEU HG A 16 LEU HDy% 1.0 . 5.27 335 283 A 16 LEU HDx% A 75 LEU HG 1.0 . 5.27 336 284 A 75 LEU HDy% A 16 LEU HDy% 1.0 . 3.20 337 284 A 16 LEU HDx% A 75 LEU HDy% 1.0 . 3.20 338 285 A 76 LYS H A 16 LEU HDy% 1.0 . 5.44 339 285 A 16 LEU HDx% A 76 LYS H 1.0 . 5.44 340 286 A 78 GLN H A 16 LEU HDy% 1.0 . 5.44 341 286 A 16 LEU HDx% A 78 GLN H 1.0 . 5.44 342 287 A 16 LEU HDx% A 78 GLN HBx 1.0 . 4.12 343 287 A 16 LEU HDy% A 78 GLN HBx 1.0 . 4.12 344 287 A 78 GLN HBy A 16 LEU HDy% 1.0 . 4.12 345 287 A 16 LEU HDx% A 78 GLN HBy 1.0 . 4.12 346 288 A 79 LEU H A 16 LEU HDy% 1.0 . 4.81 347 288 A 16 LEU HDx% A 79 LEU H 1.0 . 4.81 348 289 A 79 LEU HG A 16 LEU HDy% 1.0 . 4.39 349 289 A 79 LEU HG A 16 LEU HDx% 1.0 . 4.39 350 290 A 17 GLU H A 17 GLU HGx 1.0 . 4.20 351 291 A 17 GLU H A 17 GLU HGy 1.0 . 4.20 352 292 A 17 GLU H A 17 GLU HBx 1.0 . 3.11 353 292 A 17 GLU HBy A 17 GLU H 1.0 . 3.11 354 293 A 17 GLU H A 17 GLU HGy 1.0 . 3.66 355 293 A 17 GLU H A 17 GLU HGx 1.0 . 3.66 356 294 A 17 GLU H A 18 VAL H 1.0 . 4.80 357 295 A 37 ALA HB% A 17 GLU H 1.0 . 4.87 358 296 A 17 GLU HA A 17 GLU HGx 1.0 . 3.76 359 297 A 17 GLU HA A 17 GLU HGy 1.0 . 3.76 360 298 A 17 GLU HA A 18 VAL H 1.0 . 3.05 361 299 A 17 GLU HA A 18 VAL HA 1.0 . 4.87 362 300 A 49 ARG HBx A 17 GLU HA 1.0 . 4.44 363 301 A 49 ARG HBy A 17 GLU HA 1.0 . 3.52 364 302 A 49 ARG HDx A 17 GLU HA 1.0 . 4.52 365 303 A 49 ARG HDy A 17 GLU HA 1.0 . 4.26 366 304 A 17 GLU HA A 49 ARG HGx 1.0 . 3.20 367 305 A 49 ARG HGy A 17 GLU HA 1.0 . 4.08 368 306 A 50 VAL H A 17 GLU HA 1.0 . 4.17 369 307 A 49 ARG HDx A 17 GLU HGx 1.0 . 5.75 370 308 A 49 ARG HDy A 17 GLU HGx 1.0 . 5.43 371 309 A 17 GLU HGx A 49 ARG HGx 1.0 . 4.71 372 310 A 49 ARG HDx A 17 GLU HGy 1.0 . 5.75 373 311 A 49 ARG HDy A 17 GLU HGy 1.0 . 5.43 374 312 A 49 ARG HGx A 17 GLU HGy 1.0 . 4.71 375 313 A 18 VAL HA A 17 GLU HBx 1.0 . 4.65 376 313 A 17 GLU HBy A 18 VAL HA 1.0 . 4.65 377 314 A 18 VAL HGx% A 17 GLU HBx 1.0 . 4.16 378 314 A 17 GLU HBy A 18 VAL HGx% 1.0 . 4.16 379 315 A 18 VAL HG21 A 17 GLU HBx 1.0 . 5.29 380 315 A 17 GLU HBy A 18 VAL HG21 1.0 . 5.29 381 316 A 19 CYS H A 17 GLU HBx 1.0 . 5.75 382 316 A 17 GLU HBy A 19 CYS H 1.0 . 5.75 383 317 A 19 CYS HA A 17 GLU HBx 1.0 . 5.33 384 317 A 17 GLU HBy A 19 CYS HA 1.0 . 5.33 385 318 A 36 PHE HA A 17 GLU HBx 1.0 . 4.74 386 318 A 17 GLU HBy A 36 PHE HA 1.0 . 4.74 387 319 A 36 PHE HBx A 17 GLU HBx 1.0 . 5.24 388 319 A 17 GLU HBy A 36 PHE HBx 1.0 . 5.24 389 320 A 36 PHE HBy A 17 GLU HBx 1.0 . 4.89 390 320 A 17 GLU HBy A 36 PHE HBy 1.0 . 4.89 391 321 A 37 ALA HB% A 17 GLU HBx 1.0 . 5.24 392 321 A 17 GLU HBy A 37 ALA HB% 1.0 . 5.24 393 322 A 48 GLY HAx A 17 GLU HBx 1.0 . 5.75 394 322 A 17 GLU HBy A 48 GLY HAx 1.0 . 5.75 395 323 A 49 ARG HBy A 17 GLU HBx 1.0 . 5.36 396 323 A 49 ARG HBy A 17 GLU HBy 1.0 . 5.36 397 324 A 49 ARG HDx A 17 GLU HBx 1.0 . 5.75 398 324 A 49 ARG HDx A 17 GLU HBy 1.0 . 5.75 399 325 A 49 ARG HDy A 17 GLU HBx 1.0 . 5.42 400 325 A 49 ARG HDy A 17 GLU HBy 1.0 . 5.42 401 326 A 49 ARG HGx A 17 GLU HBx 1.0 . 4.37 402 326 A 17 GLU HBy A 49 ARG HGx 1.0 . 4.37 403 327 A 49 ARG HGy A 17 GLU HBx 1.0 . 5.75 404 327 A 49 ARG HGy A 17 GLU HBy 1.0 . 5.75 405 328 A 18 VAL H A 17 GLU HGy 1.0 . 4.53 406 328 A 17 GLU HGx A 18 VAL H 1.0 . 4.53 407 329 A 36 PHE HBy A 17 GLU HGy 1.0 . 5.34 408 329 A 17 GLU HGx A 36 PHE HBy 1.0 . 5.34 409 330 A 49 ARG HA A 17 GLU HGy 1.0 . 4.87 410 330 A 49 ARG HA A 17 GLU HGx 1.0 . 4.87 411 331 A 49 ARG HBy A 17 GLU HGy 1.0 . 4.81 412 331 A 49 ARG HBy A 17 GLU HGx 1.0 . 4.81 413 332 A 49 ARG HDx A 17 GLU HGy 1.0 . 4.81 414 332 A 49 ARG HDx A 17 GLU HGx 1.0 . 4.81 415 333 A 49 ARG HGy A 17 GLU HGy 1.0 . 5.29 416 333 A 49 ARG HGy A 17 GLU HGx 1.0 . 5.29 417 334 A 18 VAL H A 18 VAL HB 1.0 . 4.15 418 335 A 18 VAL H A 18 VAL HGx% 1.0 . 3.85 419 336 A 18 VAL H A 18 VAL HG21 1.0 . 3.70 420 337 A 18 VAL H A 19 CYS H 1.0 . 4.86 421 338 A 49 ARG HA A 18 VAL H 1.0 . 3.69 422 339 A 18 VAL H A 49 ARG HGx 1.0 . 4.42 423 340 A 50 VAL H A 18 VAL H 1.0 . 4.43 424 341 A 18 VAL H A 50 VAL HGx% 1.0 . 4.94 425 342 A 18 VAL HA A 18 VAL HGx% 1.0 . 3.11 426 343 A 18 VAL HA A 19 CYS H 1.0 . 3.18 427 344 A 18 VAL HA A 36 PHE HA 1.0 . 5.75 428 345 A 18 VAL HA A 36 PHE HBx 1.0 . 4.77 429 346 A 18 VAL HA A 36 PHE HBy 1.0 . 4.51 430 347 A 18 VAL HA A 37 ALA H 1.0 . 3.83 431 348 A 37 ALA HB% A 18 VAL HA 1.0 . 3.56 432 349 A 18 VAL HA A 38 HIS HA 1.0 . 5.38 433 350 A 18 VAL HA A 39 PRO HDx 1.0 . 4.47 434 351 A 18 VAL HA A 39 PRO HGx 1.0 . 5.60 435 352 A 18 VAL HA A 50 VAL HGy% 1.0 . 3.58 436 353 A 19 CYS H A 18 VAL HB 1.0 . 4.22 437 354 A 18 VAL HB A 23 GLN HGy 1.0 . 4.94 438 355 A 18 VAL HB A 39 PRO HDx 1.0 . 4.16 439 356 A 18 VAL HB A 39 PRO HGy 1.0 . 5.32 440 357 A 49 ARG HA A 18 VAL HB 1.0 . 5.75 441 358 A 49 ARG H A 18 VAL HGx% 1.0 . 3.77 442 359 A 49 ARG HA A 18 VAL HGx% 1.0 . 3.26 443 360 A 49 ARG HBx A 18 VAL HGx% 1.0 . 5.75 444 361 A 49 ARG HBy A 18 VAL HGx% 1.0 . 5.75 445 362 A 18 VAL HG21 A 19 CYS H 1.0 . 3.87 446 363 A 18 VAL HG21 A 19 CYS HBx 1.0 . 5.75 447 364 A 18 VAL HG21 A 19 CYS HBy 1.0 . 5.75 448 365 A 18 VAL HG21 A 20 ARG HA 1.0 . 4.27 449 366 A 18 VAL HG21 A 22 PHE HD% 1.0 . 5.55 450 367 A 18 VAL HG21 A 23 GLN HGy 1.0 . 4.00 451 368 A 18 VAL HG21 A 23 GLN HGx 1.0 . 4.36 452 369 A 18 VAL HG21 A 23 GLN HBx 1.0 . 5.34 453 369 A 18 VAL HG21 A 23 GLN HBy 1.0 . 5.34 454 370 A 18 VAL HG21 A 48 GLY HAy 1.0 . 3.86 455 371 A 18 VAL HG21 A 48 GLY HAx 1.0 . 4.52 456 372 A 19 CYS H A 19 CYS HBx 1.0 . 3.60 457 373 A 19 CYS H A 19 CYS HBy 1.0 . 3.53 458 374 A 19 CYS H A 20 ARG H 1.0 . 4.77 459 375 A 19 CYS H A 22 PHE H 1.0 . 5.75 460 376 A 19 CYS H A 22 PHE HD% 1.0 . 5.18 461 377 A 19 CYS H A 22 PHE HE% 1.0 . 5.75 462 378 A 36 PHE HA A 19 CYS H 1.0 . 5.75 463 379 A 19 CYS H A 36 PHE HBx 1.0 . 4.07 464 380 A 37 ALA H A 19 CYS H 1.0 . 4.16 465 381 A 37 ALA HB% A 19 CYS H 1.0 . 4.68 466 382 A 19 CYS HA A 20 ARG H 1.0 . 3.09 467 383 A 19 CYS HA A 20 ARG HBx 1.0 . 4.90 468 383 A 19 CYS HA A 20 ARG HBy 1.0 . 4.90 469 384 A 19 CYS HA A 20 ARG HGx 1.0 . 4.94 470 384 A 19 CYS HA A 20 ARG HGy 1.0 . 4.94 471 385 A 19 CYS HA A 22 PHE HBy 1.0 . 5.75 472 386 A 36 PHE HA A 19 CYS HA 1.0 . 5.11 473 387 A 19 CYS HA A 36 PHE HBx 1.0 . 3.48 474 388 A 19 CYS HA A 36 PHE HBy 1.0 . 3.61 475 389 A 37 ALA H A 19 CYS HA 1.0 . 4.89 476 390 A 19 CYS HBx A 20 ARG H 1.0 . 4.91 477 391 A 19 CYS HBx A 34 CYS HBx 1.0 . 4.96 478 391 A 19 CYS HBx A 34 CYS HBy 1.0 . 4.96 479 392 A 19 CYS HBx A 36 PHE H 1.0 . 4.17 480 393 A 36 PHE HA A 19 CYS HBx 1.0 . 4.99 481 394 A 36 PHE HBx A 19 CYS HBx 1.0 . 3.72 482 395 A 36 PHE HBy A 19 CYS HBx 1.0 . 3.87 483 396 A 37 ALA H A 19 CYS HBx 1.0 . 4.49 484 397 A 37 ALA HB% A 19 CYS HBx 1.0 . 5.75 485 398 A 38 HIS HA A 19 CYS HBx 1.0 . 4.80 486 399 A 19 CYS HBy A 20 ARG H 1.0 . 4.35 487 400 A 19 CYS HBy A 22 PHE H 1.0 . 4.00 488 401 A 19 CYS HBy A 23 GLN H 1.0 . 4.47 489 402 A 19 CYS HBy A 27 CYS HBx 1.0 . 4.83 490 403 A 19 CYS HBy A 27 CYS HBy 1.0 . 5.10 491 404 A 19 CYS HBy A 34 CYS HBx 1.0 . 5.75 492 404 A 19 CYS HBy A 34 CYS HBy 1.0 . 5.75 493 405 A 36 PHE HBx A 19 CYS HBy 1.0 . 4.03 494 406 A 38 HIS HA A 19 CYS HBy 1.0 . 4.59 495 407 A 20 ARG H A 20 ARG HBx 1.0 . 3.12 496 407 A 20 ARG H A 20 ARG HBy 1.0 . 3.12 497 408 A 20 ARG H A 20 ARG HDx 1.0 . 5.18 498 408 A 20 ARG H A 20 ARG HDy 1.0 . 5.18 499 409 A 20 ARG H A 20 ARG HGx 1.0 . 3.62 500 409 A 20 ARG H A 20 ARG HGy 1.0 . 3.62 501 410 A 20 ARG H A 21 GLU H 1.0 . 3.52 502 411 A 20 ARG H A 21 GLU HGx 1.0 . 5.48 503 412 A 20 ARG H A 21 GLU HBx 1.0 . 5.26 504 412 A 20 ARG H A 21 GLU HBy 1.0 . 5.26 505 413 A 20 ARG H A 22 PHE H 1.0 . 4.76 506 414 A 23 GLN HGx A 20 ARG H 1.0 . 5.75 507 415 A 20 ARG HA A 20 ARG HBx 1.0 . 2.85 508 415 A 20 ARG HA A 20 ARG HBy 1.0 . 2.85 509 416 A 20 ARG HA A 20 ARG HDx 1.0 . 3.94 510 416 A 20 ARG HA A 20 ARG HDy 1.0 . 3.94 511 417 A 20 ARG HA A 20 ARG HGx 1.0 . 3.38 512 417 A 20 ARG HA A 20 ARG HGy 1.0 . 3.38 513 418 A 20 ARG HA A 23 GLN H 1.0 . 4.07 514 419 A 23 GLN HGy A 20 ARG HA 1.0 . 3.89 515 420 A 20 ARG HA A 23 GLN HGx 1.0 . 4.07 516 421 A 20 ARG HBy A 20 ARG HDx 1.0 . 3.51 517 421 A 20 ARG HBx A 20 ARG HDx 1.0 . 3.51 518 421 A 20 ARG HDy A 20 ARG HBx 1.0 . 3.51 519 421 A 20 ARG HBy A 20 ARG HDy 1.0 . 3.51 520 422 A 21 GLU H A 20 ARG HBx 1.0 . 3.47 521 422 A 20 ARG HBy A 21 GLU H 1.0 . 3.47 522 423 A 21 GLU HA A 20 ARG HBx 1.0 . 3.98 523 423 A 20 ARG HBy A 21 GLU HA 1.0 . 3.98 524 424 A 21 GLU HGx A 20 ARG HBx 1.0 . 4.52 525 424 A 20 ARG HBy A 21 GLU HGx 1.0 . 4.52 526 425 A 21 GLU HGy A 20 ARG HBx 1.0 . 4.64 527 425 A 20 ARG HBy A 21 GLU HGy 1.0 . 4.64 528 426 A 23 GLN H A 20 ARG HBx 1.0 . 4.84 529 426 A 20 ARG HBy A 23 GLN H 1.0 . 4.84 530 427 A 23 GLN HGy A 20 ARG HBx 1.0 . 5.19 531 427 A 23 GLN HGy A 20 ARG HBy 1.0 . 5.19 532 428 A 21 GLU H A 20 ARG HDx 1.0 . 4.35 533 428 A 20 ARG HDy A 21 GLU H 1.0 . 4.35 534 429 A 21 GLU HGx A 20 ARG HDx 1.0 . 5.26 535 429 A 20 ARG HDy A 21 GLU HGx 1.0 . 5.26 536 430 A 21 GLU HGy A 20 ARG HDx 1.0 . 5.22 537 430 A 20 ARG HDy A 21 GLU HGy 1.0 . 5.22 538 431 A 23 GLN HGy A 20 ARG HGx 1.0 . 5.75 539 431 A 23 GLN HGy A 20 ARG HGy 1.0 . 5.75 540 432 A 23 GLN HGx A 20 ARG HGx 1.0 . 4.69 541 432 A 23 GLN HGx A 20 ARG HGy 1.0 . 4.69 542 433 A 21 GLU H A 21 GLU HGx 1.0 . 3.81 543 434 A 21 GLU H A 21 GLU HGy 1.0 . 4.01 544 435 A 22 PHE H A 21 GLU H 1.0 . 3.48 545 436 A 21 GLU H A 22 PHE HBx 1.0 . 5.00 546 437 A 21 GLU H A 27 CYS HA 1.0 . 5.07 547 438 A 21 GLU HGx A 21 GLU HA 1.0 . 3.51 548 439 A 21 GLU HA A 21 GLU HGy 1.0 . 3.78 549 440 A 21 GLU HA A 21 GLU HBx 1.0 . 2.99 550 440 A 21 GLU HBy A 21 GLU HA 1.0 . 2.99 551 441 A 21 GLU HA A 24 ARG HDx 1.0 . 4.20 552 441 A 21 GLU HA A 24 ARG HDy 1.0 . 4.20 553 442 A 21 GLU HA A 26 THR H 1.0 . 5.49 554 443 A 21 GLU HA A 26 THR HG2% 1.0 . 4.65 555 444 A 21 GLU HA A 27 CYS HA 1.0 . 4.95 556 445 A 21 GLU HGx A 26 THR HG2% 1.0 . 5.46 557 446 A 21 GLU HGx A 27 CYS HA 1.0 . 4.80 558 447 A 22 PHE H A 21 GLU HGy 1.0 . 4.59 559 448 A 21 GLU HGy A 26 THR HG2% 1.0 . 5.75 560 449 A 21 GLU HGy A 27 CYS HA 1.0 . 4.30 561 450 A 27 CYS HBx A 21 GLU HGy 1.0 . 5.49 562 451 A 22 PHE H A 21 GLU HBx 1.0 . 3.55 563 451 A 22 PHE H A 21 GLU HBy 1.0 . 3.55 564 452 A 22 PHE HBx A 21 GLU HBx 1.0 . 4.45 565 452 A 21 GLU HBy A 22 PHE HBx 1.0 . 4.45 566 453 A 22 PHE HD% A 21 GLU HBx 1.0 . 5.75 567 453 A 22 PHE HD% A 21 GLU HBy 1.0 . 5.75 568 454 A 23 GLN H A 21 GLU HBx 1.0 . 4.55 569 454 A 23 GLN H A 21 GLU HBy 1.0 . 4.55 570 455 A 26 THR H A 21 GLU HBx 1.0 . 4.82 571 455 A 21 GLU HBy A 26 THR H 1.0 . 4.82 572 456 A 26 THR HG2% A 21 GLU HBx 1.0 . 4.06 573 456 A 21 GLU HBy A 26 THR HG2% 1.0 . 4.06 574 457 A 27 CYS H A 21 GLU HBx 1.0 . 4.28 575 457 A 21 GLU HBy A 27 CYS H 1.0 . 4.28 576 458 A 27 CYS HA A 21 GLU HBx 1.0 . 3.19 577 458 A 21 GLU HBy A 27 CYS HA 1.0 . 3.19 578 459 A 27 CYS HBx A 21 GLU HBx 1.0 . 3.36 579 459 A 27 CYS HBx A 21 GLU HBy 1.0 . 3.36 580 460 A 27 CYS HBy A 21 GLU HBx 1.0 . 3.61 581 460 A 27 CYS HBy A 21 GLU HBy 1.0 . 3.61 582 461 A 22 PHE H A 22 PHE HBx 1.0 . 3.54 583 462 A 22 PHE H A 22 PHE HBy 1.0 . 3.45 584 463 A 22 PHE HD% A 22 PHE H 1.0 . 5.04 585 464 A 22 PHE H A 23 GLN H 1.0 . 3.80 586 465 A 22 PHE H A 24 ARG H 1.0 . 4.86 587 466 A 22 PHE H A 26 THR HG2% 1.0 . 4.95 588 467 A 22 PHE H A 27 CYS H 1.0 . 5.49 589 468 A 22 PHE H A 27 CYS HA 1.0 . 4.75 590 469 A 22 PHE H A 27 CYS HBx 1.0 . 3.81 591 470 A 22 PHE HD% A 22 PHE HA 1.0 . 3.95 592 471 A 24 ARG H A 22 PHE HA 1.0 . 4.35 593 472 A 26 THR H A 22 PHE HA 1.0 . 3.95 594 473 A 27 CYS H A 22 PHE HA 1.0 . 4.19 595 474 A 27 CYS HA A 22 PHE HA 1.0 . 4.91 596 475 A 27 CYS HBx A 22 PHE HA 1.0 . 3.84 597 476 A 27 CYS HBy A 22 PHE HA 1.0 . 3.79 598 477 A 23 GLN H A 22 PHE HBx 1.0 . 4.08 599 478 A 22 PHE HBx A 23 GLN HA 1.0 . 5.75 600 479 A 22 PHE HBx A 27 CYS HA 1.0 . 5.22 601 480 A 27 CYS HBx A 22 PHE HBx 1.0 . 4.51 602 481 A 38 HIS HA A 22 PHE HBx 1.0 . 5.06 603 482 A 22 PHE HBy A 23 GLN H 1.0 . 3.77 604 483 A 22 PHE HBy A 23 GLN HA 1.0 . 5.75 605 484 A 23 GLN HGy A 22 PHE HBy 1.0 . 4.87 606 485 A 22 PHE HBy A 27 CYS HBx 1.0 . 4.26 607 486 A 22 PHE HBy A 27 CYS HBy 1.0 . 4.89 608 487 A 38 HIS HA A 22 PHE HBy 1.0 . 5.32 609 488 A 38 HIS HA A 22 PHE HZ 1.0 . 4.28 610 489 A 22 PHE HZ A 38 HIS HBy 1.0 . 5.09 611 490 A 22 PHE HZ A 38 HIS HBx 1.0 . 4.77 612 491 A 22 PHE HZ A 39 PRO HDy 1.0 . 4.90 613 492 A 22 PHE HD% A 23 GLN H 1.0 . 4.72 614 493 A 22 PHE HD% A 23 GLN HA 1.0 . 5.02 615 494 A 23 GLN HGy A 22 PHE HD% 1.0 . 5.75 616 495 A 22 PHE HD% A 27 CYS H 1.0 . 4.36 617 496 A 22 PHE HD% A 27 CYS HA 1.0 . 5.75 618 497 A 22 PHE HD% A 27 CYS HBx 1.0 . 4.25 619 498 A 22 PHE HD% A 27 CYS HBy 1.0 . 4.05 620 499 A 22 PHE HD% A 34 CYS HBx 1.0 . 5.75 621 499 A 22 PHE HD% A 34 CYS HBy 1.0 . 5.75 622 500 A 38 HIS HA A 22 PHE HD% 1.0 . 4.07 623 501 A 22 PHE HD% A 38 HIS HBy 1.0 . 5.12 624 502 A 39 PRO HDx A 22 PHE HD% 1.0 . 4.16 625 503 A 39 PRO HGy A 22 PHE HD% 1.0 . 5.04 626 504 A 22 PHE HE% A 27 CYS HBx 1.0 . 5.75 627 505 A 22 PHE HE% A 27 CYS HBy 1.0 . 5.44 628 506 A 22 PHE HE% A 31 ASP HBx 1.0 . 5.75 629 506 A 22 PHE HE% A 31 ASP HBy 1.0 . 5.75 630 507 A 38 HIS HA A 22 PHE HE% 1.0 . 4.50 631 508 A 22 PHE HE% A 38 HIS HBy 1.0 . 4.68 632 509 A 22 PHE HE% A 38 HIS HBx 1.0 . 4.83 633 510 A 22 PHE HE% A 39 PRO HDy 1.0 . 4.01 634 511 A 39 PRO HDx A 22 PHE HE% 1.0 . 4.49 635 512 A 39 PRO HGy A 22 PHE HE% 1.0 . 4.53 636 513 A 39 PRO HGx A 22 PHE HE% 1.0 . 5.12 637 514 A 23 GLN HGy A 23 GLN H 1.0 . 3.39 638 515 A 23 GLN HGx A 23 GLN H 1.0 . 3.35 639 516 A 23 GLN H A 23 GLN HBx 1.0 . 3.37 640 516 A 23 GLN HBy A 23 GLN H 1.0 . 3.37 641 517 A 23 GLN H A 24 ARG H 1.0 . 3.49 642 518 A 23 GLN HGy A 23 GLN HA 1.0 . 3.59 643 519 A 23 GLN HGx A 23 GLN HA 1.0 . 3.77 644 520 A 23 GLN HA A 24 ARG HA 1.0 . 4.63 645 521 A 23 GLN HA A 25 GLY H 1.0 . 5.21 646 522 A 23 GLN HBy A 24 ARG H 1.0 . 4.07 647 523 A 23 GLN HBy A 24 ARG HDy 1.0 . 5.13 648 523 A 23 GLN HBy A 24 ARG HDx 1.0 . 5.13 649 524 A 24 ARG H A 23 GLN HBx 1.0 . 4.07 650 525 A 24 ARG HDy A 23 GLN HBx 1.0 . 5.13 651 525 A 23 GLN HBx A 24 ARG HDx 1.0 . 5.13 652 526 A 24 ARG H A 23 GLN HBx 1.0 . 3.49 653 526 A 23 GLN HBy A 24 ARG H 1.0 . 3.49 654 527 A 23 GLN HBx A 24 ARG HDx 1.0 . 4.49 655 527 A 23 GLN HBy A 24 ARG HDx 1.0 . 4.49 656 527 A 24 ARG HDy A 23 GLN HBx 1.0 . 4.49 657 527 A 23 GLN HBy A 24 ARG HDy 1.0 . 4.49 658 528 A 24 ARG H A 24 ARG HBy 1.0 . 3.23 659 529 A 24 ARG H A 24 ARG HDx 1.0 . 4.29 660 529 A 24 ARG HDy A 24 ARG H 1.0 . 4.29 661 530 A 24 ARG H A 24 ARG HGx 1.0 . 3.71 662 530 A 24 ARG H A 24 ARG HGy 1.0 . 3.71 663 531 A 24 ARG H A 25 GLY H 1.0 . 3.82 664 532 A 24 ARG H A 25 GLY HAy 1.0 . 5.07 665 533 A 26 THR H A 24 ARG H 1.0 . 4.06 666 534 A 26 THR HG2% A 24 ARG H 1.0 . 4.74 667 535 A 24 ARG HA A 24 ARG HDx 1.0 . 4.03 668 535 A 24 ARG HDy A 24 ARG HA 1.0 . 4.03 669 536 A 24 ARG HA A 24 ARG HGx 1.0 . 3.41 670 536 A 24 ARG HA A 24 ARG HGy 1.0 . 3.41 671 537 A 26 THR HG2% A 24 ARG HA 1.0 . 4.81 672 538 A 24 ARG HBy A 24 ARG HDx 1.0 . 3.70 673 538 A 24 ARG HDy A 24 ARG HBy 1.0 . 3.70 674 539 A 26 THR H A 24 ARG HBy 1.0 . 5.14 675 540 A 24 ARG HBy A 26 THR HB 1.0 . 4.67 676 541 A 26 THR HG2% A 24 ARG HBy 1.0 . 4.13 677 542 A 24 ARG HBx A 24 ARG HDx 1.0 . 3.69 678 542 A 24 ARG HDy A 24 ARG HBx 1.0 . 3.69 679 543 A 25 GLY H A 24 ARG HBx 1.0 . 4.21 680 544 A 26 THR HB A 24 ARG HBx 1.0 . 5.36 681 545 A 26 THR HG2% A 24 ARG HBx 1.0 . 4.11 682 546 A 25 GLY H A 24 ARG HDx 1.0 . 5.75 683 546 A 24 ARG HDy A 25 GLY H 1.0 . 5.75 684 547 A 26 THR HG2% A 24 ARG HDx 1.0 . 4.31 685 547 A 24 ARG HDy A 26 THR HG2% 1.0 . 4.31 686 548 A 26 THR H A 24 ARG HGx 1.0 . 5.75 687 548 A 26 THR H A 24 ARG HGy 1.0 . 5.75 688 549 A 26 THR HG2% A 24 ARG HGx 1.0 . 4.11 689 549 A 26 THR HG2% A 24 ARG HGy 1.0 . 4.11 690 550 A 26 THR H A 25 GLY H 1.0 . 3.34 691 551 A 26 THR HG2% A 25 GLY H 1.0 . 4.62 692 552 A 25 GLY HAy A 26 THR HA 1.0 . 5.26 693 553 A 25 GLY HAy A 26 THR HB 1.0 . 5.75 694 554 A 26 THR HG2% A 25 GLY HAy 1.0 . 4.85 695 555 A 26 THR HA A 25 GLY HAx 1.0 . 5.35 696 556 A 26 THR HB A 25 GLY HAx 1.0 . 5.75 697 557 A 26 THR HG2% A 25 GLY HAx 1.0 . 4.89 698 558 A 26 THR H A 26 THR HB 1.0 . 3.99 699 559 A 26 THR H A 26 THR HG2% 1.0 . 3.36 700 560 A 26 THR H A 27 CYS H 1.0 . 3.96 701 561 A 27 CYS HBx A 26 THR H 1.0 . 4.74 702 562 A 27 CYS HBy A 26 THR H 1.0 . 4.58 703 563 A 26 THR HG2% A 26 THR HA 1.0 . 3.33 704 564 A 27 CYS H A 26 THR HA 1.0 . 3.58 705 565 A 26 THR HG2% A 27 CYS H 1.0 . 4.32 706 566 A 27 CYS HBx A 27 CYS H 1.0 . 3.71 707 567 A 27 CYS HBy A 27 CYS H 1.0 . 3.59 708 568 A 27 CYS HA A 28 SER HBx 1.0 . 5.17 709 568 A 27 CYS HA A 28 SER HBy 1.0 . 5.17 710 569 A 27 CYS HA A 29 ARG H 1.0 . 4.39 711 570 A 27 CYS HBx A 29 ARG H 1.0 . 5.01 712 571 A 27 CYS HBy A 29 ARG H 1.0 . 4.72 713 572 A 27 CYS HBy A 34 CYS HBx 1.0 . 5.75 714 572 A 34 CYS HBy A 27 CYS HBy 1.0 . 5.75 715 573 A 28 SER HBy A 28 SER HA 1.0 . 3.03 716 574 A 28 SER HA A 28 SER HBx 1.0 . 3.03 717 575 A 28 SER HBy A 29 ARG H 1.0 . 4.82 718 576 A 29 ARG H A 28 SER HBx 1.0 . 4.82 719 577 A 29 ARG H A 28 SER HBx 1.0 . 4.11 720 577 A 28 SER HBy A 29 ARG H 1.0 . 4.11 721 578 A 29 ARG H A 29 ARG HBy 1.0 . 3.06 722 579 A 29 ARG H A 29 ARG HBx 1.0 . 3.67 723 580 A 29 ARG H A 29 ARG HDy 1.0 . 5.41 724 581 A 29 ARG H A 29 ARG HGx 1.0 . 3.68 725 581 A 29 ARG H A 29 ARG HGy 1.0 . 3.68 726 582 A 29 ARG H A 30 PRO HDx 1.0 . 5.27 727 583 A 29 ARG H A 34 CYS HBx 1.0 . 5.75 728 583 A 34 CYS HBy A 29 ARG H 1.0 . 5.75 729 584 A 29 ARG HA A 29 ARG HGx 1.0 . 3.62 730 584 A 29 ARG HGy A 29 ARG HA 1.0 . 3.62 731 585 A 29 ARG HA A 30 PRO HBx 1.0 . 5.29 732 586 A 30 PRO HDx A 29 ARG HA 1.0 . 3.13 733 587 A 29 ARG HA A 30 PRO HDy 1.0 . 3.06 734 588 A 29 ARG HA A 33 GLU HBx 1.0 . 4.74 735 589 A 29 ARG HA A 33 GLU HBy 1.0 . 4.24 736 590 A 29 ARG HA A 34 CYS HBx 1.0 . 5.75 737 590 A 34 CYS HBy A 29 ARG HA 1.0 . 5.75 738 591 A 29 ARG HBy A 29 ARG HDy 1.0 . 3.92 739 592 A 29 ARG HBy A 29 ARG HDx 1.0 . 3.98 740 593 A 29 ARG HBy A 30 PRO HDx 1.0 . 4.94 741 594 A 29 ARG HBy A 34 CYS HA 1.0 . 3.79 742 595 A 29 ARG HBy A 34 CYS HBx 1.0 . 4.47 743 595 A 34 CYS HBy A 29 ARG HBy 1.0 . 4.47 744 596 A 29 ARG HBx A 29 ARG HDy 1.0 . 3.76 745 597 A 29 ARG HBx A 29 ARG HDx 1.0 . 3.95 746 598 A 29 ARG HBx A 30 PRO HDx 1.0 . 4.07 747 599 A 29 ARG HBx A 30 PRO HDy 1.0 . 4.49 748 600 A 29 ARG HBx A 33 GLU HBy 1.0 . 4.35 749 601 A 29 ARG HBx A 34 CYS H 1.0 . 4.64 750 602 A 29 ARG HBx A 34 CYS HA 1.0 . 4.07 751 603 A 29 ARG HBx A 34 CYS HBx 1.0 . 3.98 752 603 A 34 CYS HBy A 29 ARG HBx 1.0 . 3.98 753 604 A 29 ARG HDy A 33 GLU HA 1.0 . 5.75 754 605 A 29 ARG HDy A 33 GLU HBx 1.0 . 5.15 755 606 A 29 ARG HDy A 33 GLU HBy 1.0 . 4.26 756 607 A 29 ARG HDy A 34 CYS HA 1.0 . 3.52 757 608 A 29 ARG HDy A 34 CYS HBx 1.0 . 4.21 758 608 A 34 CYS HBy A 29 ARG HDy 1.0 . 4.21 759 609 A 29 ARG HDy A 35 LYS H 1.0 . 4.48 760 610 A 33 GLU HBx A 29 ARG HDx 1.0 . 4.92 761 611 A 33 GLU HBy A 29 ARG HDx 1.0 . 4.14 762 612 A 29 ARG HDx A 33 GLU HGy 1.0 . 5.08 763 612 A 29 ARG HDx A 33 GLU HGx 1.0 . 5.08 764 613 A 29 ARG HDx A 34 CYS H 1.0 . 4.86 765 614 A 29 ARG HDx A 34 CYS HA 1.0 . 3.75 766 615 A 29 ARG HDx A 34 CYS HBx 1.0 . 5.75 767 615 A 34 CYS HBy A 29 ARG HDx 1.0 . 5.75 768 616 A 30 PRO HDx A 29 ARG HGx 1.0 . 4.60 769 616 A 29 ARG HGy A 30 PRO HDx 1.0 . 4.60 770 617 A 29 ARG HGx A 34 CYS HBx 1.0 . 4.89 771 617 A 29 ARG HGy A 34 CYS HBx 1.0 . 4.89 772 617 A 34 CYS HBy A 29 ARG HGx 1.0 . 4.89 773 617 A 34 CYS HBy A 29 ARG HGy 1.0 . 4.89 774 618 A 30 PRO HBy A 31 ASP H 1.0 . 4.07 775 619 A 30 PRO HBy A 32 THR H 1.0 . 3.42 776 620 A 30 PRO HBy A 33 GLU H 1.0 . 4.89 777 621 A 30 PRO HBx A 31 ASP H 1.0 . 4.18 778 622 A 30 PRO HBx A 32 THR H 1.0 . 5.23 779 623 A 30 PRO HBx A 32 THR HG2% 1.0 . 5.75 780 624 A 30 PRO HBx A 33 GLU H 1.0 . 4.75 781 625 A 30 PRO HBx A 33 GLU HBx 1.0 . 5.05 782 626 A 30 PRO HDx A 31 ASP H 1.0 . 5.75 783 627 A 30 PRO HDx A 33 GLU H 1.0 . 4.72 784 628 A 30 PRO HDx A 33 GLU HBx 1.0 . 3.55 785 629 A 30 PRO HDx A 33 GLU HBy 1.0 . 3.69 786 630 A 30 PRO HDx A 33 GLU HGx 1.0 . 4.81 787 631 A 30 PRO HDx A 33 GLU HGy 1.0 . 4.81 788 632 A 30 PRO HDx A 33 GLU HGy 1.0 . 4.03 789 632 A 30 PRO HDx A 33 GLU HGx 1.0 . 4.03 790 633 A 30 PRO HDy A 33 GLU HBx 1.0 . 3.86 791 634 A 30 PRO HDy A 33 GLU HBy 1.0 . 4.40 792 635 A 30 PRO HDy A 33 GLU HGy 1.0 . 5.34 793 635 A 30 PRO HDy A 33 GLU HGx 1.0 . 5.34 794 636 A 31 ASP H A 30 PRO HGy 1.0 . 4.94 795 637 A 32 THR H A 30 PRO HGy 1.0 . 4.67 796 638 A 33 GLU H A 30 PRO HGy 1.0 . 3.30 797 639 A 31 ASP H A 31 ASP HBx 1.0 . 3.58 798 639 A 31 ASP HBy A 31 ASP H 1.0 . 3.58 799 640 A 31 ASP H A 32 THR H 1.0 . 3.93 800 641 A 31 ASP HA A 31 ASP HBx 1.0 . 2.94 801 641 A 31 ASP HBy A 31 ASP HA 1.0 . 2.94 802 642 A 33 GLU H A 31 ASP HA 1.0 . 4.49 803 643 A 34 CYS H A 31 ASP HA 1.0 . 5.29 804 644 A 31 ASP HA A 34 CYS HBx 1.0 . 3.97 805 644 A 34 CYS HBy A 31 ASP HA 1.0 . 3.97 806 645 A 38 HIS HBy A 31 ASP HA 1.0 . 4.44 807 646 A 38 HIS HBx A 31 ASP HA 1.0 . 4.58 808 647 A 32 THR H A 31 ASP HBx 1.0 . 3.86 809 647 A 31 ASP HBy A 32 THR H 1.0 . 3.86 810 648 A 32 THR HA A 31 ASP HBx 1.0 . 4.52 811 648 A 31 ASP HBy A 32 THR HA 1.0 . 4.52 812 649 A 32 THR HG2% A 31 ASP HBx 1.0 . 4.44 813 649 A 31 ASP HBy A 32 THR HG2% 1.0 . 4.44 814 650 A 38 HIS H A 31 ASP HBx 1.0 . 4.09 815 650 A 31 ASP HBy A 38 HIS H 1.0 . 4.09 816 651 A 38 HIS HBy A 31 ASP HBx 1.0 . 4.02 817 651 A 38 HIS HBy A 31 ASP HBy 1.0 . 4.02 818 652 A 32 THR H A 32 THR HB 1.0 . 4.09 819 653 A 32 THR H A 32 THR HG2% 1.0 . 3.16 820 654 A 32 THR H A 33 GLU H 1.0 . 3.52 821 655 A 38 HIS HBy A 32 THR H 1.0 . 5.75 822 656 A 32 THR H A 72 PRO HBy 1.0 . 5.34 823 656 A 32 THR H A 72 PRO HBx 1.0 . 5.34 824 657 A 32 THR HG2% A 32 THR HA 1.0 . 3.00 825 658 A 32 THR HA A 72 PRO HA 1.0 . 4.86 826 659 A 32 THR HA A 72 PRO HBy 1.0 . 3.75 827 660 A 32 THR HA A 72 PRO HBx 1.0 . 3.75 828 661 A 32 THR HA A 72 PRO HGy 1.0 . 4.29 829 662 A 32 THR HA A 72 PRO HGx 1.0 . 4.14 830 663 A 32 THR HA A 72 PRO HBy 1.0 . 3.25 831 663 A 32 THR HA A 72 PRO HBx 1.0 . 3.25 832 664 A 32 THR HA A 74 HIS HBx 1.0 . 5.34 833 664 A 32 THR HA A 74 HIS HBy 1.0 . 5.34 834 665 A 33 GLU H A 32 THR HB 1.0 . 4.67 835 666 A 32 THR HB A 33 GLU HGy 1.0 . 5.34 836 666 A 33 GLU HGx A 32 THR HB 1.0 . 5.34 837 667 A 32 THR HB A 72 PRO HBy 1.0 . 4.63 838 668 A 32 THR HB A 72 PRO HBx 1.0 . 4.63 839 669 A 32 THR HB A 73 PRO HDx 1.0 . 3.52 840 670 A 32 THR HB A 73 PRO HGy 1.0 . 4.33 841 670 A 32 THR HB A 73 PRO HGx 1.0 . 4.33 842 671 A 33 GLU H A 32 THR HG2% 1.0 . 4.57 843 672 A 32 THR HG2% A 72 PRO HA 1.0 . 4.23 844 673 A 32 THR HG2% A 72 PRO HBy 1.0 . 3.73 845 674 A 32 THR HG2% A 72 PRO HBx 1.0 . 3.73 846 675 A 32 THR HG2% A 72 PRO HBy 1.0 . 3.24 847 675 A 32 THR HG2% A 72 PRO HBx 1.0 . 3.24 848 676 A 32 THR HG2% A 73 PRO HBy 1.0 . 5.47 849 677 A 32 THR HG2% A 73 PRO HBx 1.0 . 5.75 850 678 A 32 THR HG2% A 73 PRO HDx 1.0 . 3.51 851 679 A 32 THR HG2% A 73 PRO HDy 1.0 . 4.07 852 680 A 33 GLU HBx A 33 GLU H 1.0 . 3.59 853 681 A 33 GLU H A 34 CYS HBx 1.0 . 3.98 854 681 A 34 CYS HBy A 33 GLU H 1.0 . 3.98 855 682 A 33 GLU HA A 33 GLU HGx 1.0 . 3.78 856 683 A 33 GLU HA A 33 GLU HGy 1.0 . 3.78 857 684 A 33 GLU HA A 33 GLU HGy 1.0 . 3.09 858 684 A 33 GLU HA A 33 GLU HGx 1.0 . 3.09 859 685 A 34 CYS H A 33 GLU HA 1.0 . 3.82 860 686 A 33 GLU HA A 74 HIS HBx 1.0 . 5.27 861 686 A 33 GLU HA A 74 HIS HBy 1.0 . 5.27 862 687 A 33 GLU HBy A 34 CYS H 1.0 . 4.16 863 688 A 33 GLU HBy A 34 CYS HA 1.0 . 4.61 864 689 A 33 GLU HGx A 74 HIS HBx 1.0 . 5.34 865 689 A 33 GLU HGy A 74 HIS HBx 1.0 . 5.34 866 689 A 74 HIS HBy A 33 GLU HGy 1.0 . 5.34 867 689 A 33 GLU HGx A 74 HIS HBy 1.0 . 5.34 868 690 A 34 CYS H A 34 CYS HBx 1.0 . 3.11 869 690 A 34 CYS HBy A 34 CYS H 1.0 . 3.11 870 691 A 34 CYS H A 35 LYS H 1.0 . 4.83 871 692 A 34 CYS H A 72 PRO HBy 1.0 . 5.26 872 692 A 34 CYS H A 72 PRO HBx 1.0 . 5.26 873 693 A 75 LEU HDx% A 34 CYS H 1.0 . 5.75 874 694 A 75 LEU HDy% A 34 CYS H 1.0 . 5.75 875 695 A 34 CYS HA A 35 LYS H 1.0 . 2.92 876 696 A 34 CYS HA A 35 LYS HBy 1.0 . 4.96 877 696 A 34 CYS HA A 35 LYS HBx 1.0 . 4.96 878 697 A 36 PHE H A 34 CYS HA 1.0 . 4.39 879 698 A 35 LYS H A 34 CYS HBx 1.0 . 4.00 880 698 A 34 CYS HBy A 35 LYS H 1.0 . 4.00 881 699 A 36 PHE H A 34 CYS HBx 1.0 . 3.87 882 699 A 34 CYS HBy A 36 PHE H 1.0 . 3.87 883 700 A 75 LEU HG A 34 CYS HBx 1.0 . 5.75 884 700 A 75 LEU HG A 34 CYS HBy 1.0 . 5.75 885 701 A 35 LYS H A 35 LYS HGx 1.0 . 4.52 886 702 A 35 LYS H A 35 LYS HGy 1.0 . 4.52 887 703 A 35 LYS H A 35 LYS HBy 1.0 . 3.06 888 703 A 35 LYS H A 35 LYS HBx 1.0 . 3.06 889 704 A 35 LYS H A 35 LYS HGy 1.0 . 3.78 890 704 A 35 LYS H A 35 LYS HGx 1.0 . 3.78 891 705 A 36 PHE H A 35 LYS H 1.0 . 3.39 892 706 A 35 LYS HGx A 35 LYS HA 1.0 . 3.96 893 707 A 35 LYS HA A 35 LYS HGy 1.0 . 3.96 894 708 A 35 LYS HA A 35 LYS HBy 1.0 . 2.85 895 708 A 35 LYS HBx A 35 LYS HA 1.0 . 2.85 896 709 A 35 LYS HA A 35 LYS HDx 1.0 . 4.97 897 709 A 35 LYS HA A 35 LYS HDy 1.0 . 4.97 898 710 A 35 LYS HA A 35 LYS HEx 1.0 . 4.40 899 710 A 35 LYS HA A 35 LYS HEy 1.0 . 4.40 900 711 A 35 LYS HA A 35 LYS HGy 1.0 . 3.36 901 711 A 35 LYS HGx A 35 LYS HA 1.0 . 3.36 902 712 A 36 PHE HA A 35 LYS HA 1.0 . 5.41 903 713 A 75 LEU HG A 35 LYS HA 1.0 . 4.81 904 714 A 75 LEU HDy% A 35 LYS HA 1.0 . 3.62 905 715 A 35 LYS HGx A 35 LYS HEx 1.0 . 3.75 906 715 A 35 LYS HGx A 35 LYS HEy 1.0 . 3.75 907 716 A 36 PHE H A 35 LYS HGx 1.0 . 5.75 908 717 A 35 LYS HEx A 35 LYS HGy 1.0 . 3.75 909 717 A 35 LYS HEy A 35 LYS HGy 1.0 . 3.75 910 718 A 36 PHE H A 35 LYS HGy 1.0 . 5.75 911 719 A 36 PHE H A 35 LYS HBy 1.0 . 3.78 912 719 A 36 PHE H A 35 LYS HBx 1.0 . 3.78 913 720 A 36 PHE HA A 35 LYS HBy 1.0 . 4.86 914 720 A 36 PHE HA A 35 LYS HBx 1.0 . 4.86 915 721 A 35 LYS HEx A 35 LYS HGy 1.0 . 3.26 916 721 A 35 LYS HEy A 35 LYS HGy 1.0 . 3.26 917 721 A 35 LYS HGx A 35 LYS HEx 1.0 . 3.26 918 721 A 35 LYS HGx A 35 LYS HEy 1.0 . 3.26 919 722 A 36 PHE HBx A 36 PHE H 1.0 . 3.57 920 723 A 36 PHE HBy A 36 PHE H 1.0 . 3.91 921 724 A 75 LEU HDy% A 36 PHE H 1.0 . 5.03 922 725 A 37 ALA H A 36 PHE HA 1.0 . 3.23 923 726 A 36 PHE HA A 37 ALA HA 1.0 . 4.53 924 727 A 37 ALA HB% A 36 PHE HA 1.0 . 4.51 925 728 A 75 LEU HDx% A 36 PHE HA 1.0 . 4.38 926 729 A 75 LEU HDy% A 36 PHE HA 1.0 . 4.39 927 730 A 37 ALA H A 36 PHE HBx 1.0 . 3.87 928 731 A 37 ALA H A 36 PHE HBy 1.0 . 3.48 929 732 A 37 ALA HB% A 36 PHE HBy 1.0 . 4.95 930 733 A 37 ALA HB% A 37 ALA H 1.0 . 3.15 931 734 A 37 ALA H A 38 HIS H 1.0 . 4.70 932 735 A 37 ALA H A 50 VAL HGy% 1.0 . 4.29 933 736 A 75 LEU HDx% A 37 ALA H 1.0 . 4.62 934 737 A 37 ALA HA A 38 HIS H 1.0 . 3.16 935 738 A 75 LEU HDx% A 37 ALA HA 1.0 . 3.21 936 739 A 75 LEU HDy% A 37 ALA HA 1.0 . 5.75 937 740 A 37 ALA HB% A 38 HIS H 1.0 . 3.68 938 741 A 37 ALA HB% A 38 HIS HA 1.0 . 4.33 939 742 A 37 ALA HB% A 39 PRO HDy 1.0 . 4.56 940 743 A 37 ALA HB% A 39 PRO HDx 1.0 . 3.69 941 744 A 37 ALA HB% A 39 PRO HGy 1.0 . 5.75 942 745 A 37 ALA HB% A 39 PRO HGx 1.0 . 5.75 943 746 A 37 ALA HB% A 72 PRO HGx 1.0 . 5.15 944 747 A 38 HIS HBy A 38 HIS H 1.0 . 4.00 945 748 A 38 HIS H A 69 LEU HDx% 1.0 . 4.37 946 749 A 75 LEU HDx% A 38 HIS H 1.0 . 5.06 947 750 A 38 HIS HA A 39 PRO HDy 1.0 . 3.30 948 751 A 38 HIS HA A 39 PRO HDx 1.0 . 3.36 949 752 A 38 HIS HA A 39 PRO HGy 1.0 . 4.59 950 753 A 38 HIS HA A 39 PRO HGx 1.0 . 4.63 951 754 A 38 HIS HA A 50 VAL HGy% 1.0 . 5.04 952 755 A 39 PRO HDx A 38 HIS HBy 1.0 . 5.23 953 756 A 38 HIS HBx A 39 PRO HDy 1.0 . 4.54 954 757 A 39 PRO HDx A 38 HIS HBx 1.0 . 4.96 955 758 A 39 PRO HA A 40 SER H 1.0 . 3.04 956 759 A 39 PRO HA A 40 SER HA 1.0 . 4.98 957 760 A 39 PRO HA A 43 CYS HBy 1.0 . 3.68 958 761 A 39 PRO HA A 43 CYS HBx 1.0 . 4.62 959 762 A 50 VAL HGy% A 39 PRO HA 1.0 . 4.79 960 763 A 39 PRO HA A 69 LEU HG 1.0 . 4.35 961 764 A 69 LEU HDx% A 39 PRO HA 1.0 . 2.65 962 765 A 39 PRO HA A 69 LEU HDy% 1.0 . 3.78 963 766 A 40 SER H A 39 PRO HBy 1.0 . 4.02 964 767 A 39 PRO HBy A 43 CYS H 1.0 . 4.96 965 768 A 43 CYS HBy A 39 PRO HBy 1.0 . 3.36 966 769 A 43 CYS HBx A 39 PRO HBy 1.0 . 3.58 967 770 A 39 PRO HBy A 45 VAL HGy% 1.0 . 3.78 968 771 A 50 VAL HGx% A 39 PRO HBy 1.0 . 3.79 969 772 A 69 LEU HDx% A 39 PRO HBy 1.0 . 4.07 970 773 A 69 LEU HDy% A 39 PRO HBy 1.0 . 4.10 971 774 A 40 SER H A 39 PRO HBx 1.0 . 4.17 972 775 A 43 CYS HBy A 39 PRO HBx 1.0 . 3.63 973 776 A 43 CYS HBx A 39 PRO HBx 1.0 . 3.81 974 777 A 50 VAL HGx% A 39 PRO HBx 1.0 . 3.79 975 778 A 69 LEU HDx% A 39 PRO HBx 1.0 . 3.52 976 779 A 69 LEU HDy% A 39 PRO HBx 1.0 . 3.46 977 780 A 50 VAL HGy% A 39 PRO HDy 1.0 . 4.67 978 781 A 39 PRO HDy A 69 LEU HDx% 1.0 . 3.93 979 782 A 39 PRO HDy A 69 LEU HDy% 1.0 . 5.75 980 783 A 39 PRO HDx A 50 VAL HB 1.0 . 5.75 981 784 A 39 PRO HDx A 50 VAL HGy% 1.0 . 3.47 982 785 A 39 PRO HDx A 69 LEU HDx% 1.0 . 4.27 983 786 A 39 PRO HDx A 69 LEU HDy% 1.0 . 5.75 984 787 A 39 PRO HGy A 43 CYS HBy 1.0 . 4.96 985 788 A 39 PRO HGy A 45 VAL HGy% 1.0 . 3.27 986 789 A 50 VAL HGx% A 39 PRO HGy 1.0 . 3.44 987 790 A 39 PRO HGx A 43 CYS HBy 1.0 . 4.63 988 791 A 39 PRO HGx A 43 CYS HBx 1.0 . 5.75 989 792 A 39 PRO HGx A 45 VAL HGy% 1.0 . 3.17 990 793 A 50 VAL HGx% A 39 PRO HGx 1.0 . 3.37 991 794 A 39 PRO HGx A 50 VAL HGy% 1.0 . 3.43 992 795 A 40 SER H A 40 SER HBy 1.0 . 3.91 993 796 A 40 SER H A 40 SER HBx 1.0 . 3.74 994 797 A 40 SER H A 43 CYS HBy 1.0 . 4.54 995 798 A 40 SER H A 43 CYS HBx 1.0 . 4.66 996 799 A 69 LEU HDx% A 40 SER H 1.0 . 3.94 997 800 A 40 SER H A 69 LEU HDy% 1.0 . 4.53 998 801 A 40 SER HA A 40 SER HBy 1.0 . 2.87 999 802 A 40 SER HA A 40 SER HBx 1.0 . 2.91 1000 803 A 40 SER HA A 41 LYS HA 1.0 . 4.79 1001 804 A 40 SER HA A 41 LYS HBy 1.0 . 5.75 1002 804 A 40 SER HA A 41 LYS HBx 1.0 . 5.75 1003 805 A 40 SER HA A 41 LYS HGx 1.0 . 4.89 1004 805 A 40 SER HA A 41 LYS HGy 1.0 . 4.89 1005 806 A 40 SER HBy A 41 LYS HBy 1.0 . 3.66 1006 806 A 40 SER HBy A 41 LYS HBx 1.0 . 3.66 1007 807 A 40 SER HBy A 41 LYS HGx 1.0 . 5.01 1008 807 A 40 SER HBy A 41 LYS HGy 1.0 . 5.01 1009 808 A 43 CYS HBy A 40 SER HBy 1.0 . 5.75 1010 809 A 40 SER HBx A 41 LYS HBy 1.0 . 5.33 1011 809 A 40 SER HBx A 41 LYS HBx 1.0 . 5.33 1012 810 A 43 CYS HBy A 40 SER HBx 1.0 . 5.75 1013 811 A 69 LEU HDx% A 40 SER HBx 1.0 . 5.75 1014 812 A 41 LYS H A 41 LYS HGx 1.0 . 5.09 1015 812 A 41 LYS HGy A 41 LYS H 1.0 . 5.09 1016 813 A 41 LYS HA A 41 LYS HBy 1.0 . 2.72 1017 813 A 41 LYS HA A 41 LYS HBx 1.0 . 2.72 1018 814 A 41 LYS HA A 41 LYS HDx 1.0 . 4.20 1019 814 A 41 LYS HA A 41 LYS HDy 1.0 . 4.20 1020 815 A 41 LYS HA A 41 LYS HEx 1.0 . 5.16 1021 815 A 41 LYS HA A 41 LYS HEy 1.0 . 5.16 1022 816 A 41 LYS HA A 41 LYS HGx 1.0 . 3.38 1023 816 A 41 LYS HA A 41 LYS HGy 1.0 . 3.38 1024 817 A 41 LYS HBx A 41 LYS HEx 1.0 . 4.67 1025 817 A 41 LYS HBy A 41 LYS HEx 1.0 . 4.67 1026 817 A 41 LYS HEy A 41 LYS HBy 1.0 . 4.67 1027 817 A 41 LYS HBx A 41 LYS HEy 1.0 . 4.67 1028 818 A 41 LYS HBx A 41 LYS HGx 1.0 . 2.86 1029 818 A 41 LYS HGy A 41 LYS HBy 1.0 . 2.86 1030 818 A 41 LYS HBx A 41 LYS HGy 1.0 . 2.86 1031 818 A 41 LYS HBy A 41 LYS HGx 1.0 . 2.86 1032 819 A 42 SER H A 41 LYS HBy 1.0 . 4.71 1033 819 A 41 LYS HBx A 42 SER H 1.0 . 4.71 1034 820 A 42 SER HA A 41 LYS HBy 1.0 . 4.86 1035 820 A 41 LYS HBx A 42 SER HA 1.0 . 4.86 1036 821 A 42 SER HBx A 41 LYS HBy 1.0 . 5.75 1037 821 A 41 LYS HBx A 42 SER HBx 1.0 . 5.75 1038 822 A 42 SER HBy A 41 LYS HBy 1.0 . 5.00 1039 822 A 41 LYS HBx A 42 SER HBy 1.0 . 5.00 1040 823 A 41 LYS HDx A 41 LYS HGx 1.0 . 2.53 1041 823 A 41 LYS HDy A 41 LYS HGx 1.0 . 2.53 1042 823 A 41 LYS HGy A 41 LYS HDx 1.0 . 2.53 1043 823 A 41 LYS HGy A 41 LYS HDy 1.0 . 2.53 1044 824 A 41 LYS HEy A 41 LYS HGx 1.0 . 3.34 1045 824 A 41 LYS HEx A 41 LYS HGx 1.0 . 3.34 1046 824 A 41 LYS HGy A 41 LYS HEx 1.0 . 3.34 1047 824 A 41 LYS HGy A 41 LYS HEy 1.0 . 3.34 1048 825 A 43 CYS H A 42 SER H 1.0 . 4.02 1049 826 A 42 SER HA A 67 LYS HGx 1.0 . 5.75 1050 827 A 42 SER HA A 67 LYS HDx 1.0 . 5.75 1051 827 A 42 SER HA A 67 LYS HDy 1.0 . 5.75 1052 828 A 43 CYS H A 42 SER HBx 1.0 . 4.38 1053 829 A 42 SER HBx A 65 ASN HA 1.0 . 5.50 1054 830 A 42 SER HBx A 65 ASN HBx 1.0 . 4.71 1055 831 A 42 SER HBx A 65 ASN HBy 1.0 . 4.63 1056 832 A 42 SER HBx A 67 LYS HA 1.0 . 4.01 1057 833 A 42 SER HBx A 67 LYS HGx 1.0 . 5.75 1058 834 A 42 SER HBx A 67 LYS HGy 1.0 . 5.75 1059 835 A 42 SER HBx A 67 LYS HDx 1.0 . 5.12 1060 835 A 42 SER HBx A 67 LYS HDy 1.0 . 5.12 1061 836 A 42 SER HBy A 65 ASN HBx 1.0 . 5.75 1062 837 A 42 SER HBy A 65 ASN HBy 1.0 . 5.75 1063 838 A 42 SER HBy A 67 LYS HA 1.0 . 4.54 1064 839 A 42 SER HBy A 67 LYS HGx 1.0 . 5.75 1065 840 A 42 SER HBy A 67 LYS HGy 1.0 . 5.75 1066 841 A 42 SER HBy A 67 LYS HDx 1.0 . 5.49 1067 841 A 42 SER HBy A 67 LYS HDy 1.0 . 5.49 1068 842 A 43 CYS HBy A 43 CYS H 1.0 . 3.24 1069 843 A 43 CYS HBx A 43 CYS H 1.0 . 3.70 1070 844 A 43 CYS H A 44 GLN H 1.0 . 4.64 1071 845 A 43 CYS H A 67 LYS HBy 1.0 . 5.75 1072 846 A 69 LEU HDx% A 43 CYS H 1.0 . 5.13 1073 847 A 44 GLN H A 43 CYS HA 1.0 . 2.92 1074 848 A 67 LYS HA A 43 CYS HA 1.0 . 3.09 1075 849 A 43 CYS HA A 67 LYS HBx 1.0 . 4.65 1076 850 A 67 LYS HBy A 43 CYS HA 1.0 . 4.35 1077 851 A 67 LYS HGy A 43 CYS HA 1.0 . 5.75 1078 852 A 43 CYS HA A 68 TYR H 1.0 . 4.70 1079 853 A 43 CYS HA A 68 TYR HA 1.0 . 4.74 1080 854 A 69 LEU HDy% A 43 CYS HA 1.0 . 4.56 1081 855 A 43 CYS HBy A 44 GLN H 1.0 . 4.38 1082 856 A 50 VAL HGx% A 43 CYS HBy 1.0 . 4.47 1083 857 A 43 CYS HBy A 67 LYS HA 1.0 . 5.43 1084 858 A 43 CYS HBy A 69 LEU HA 1.0 . 5.75 1085 859 A 69 LEU HDx% A 43 CYS HBy 1.0 . 3.58 1086 860 A 43 CYS HBy A 69 LEU HDy% 1.0 . 3.63 1087 861 A 43 CYS HBx A 44 GLN H 1.0 . 3.89 1088 862 A 50 VAL HA A 43 CYS HBx 1.0 . 5.75 1089 863 A 43 CYS HBx A 50 VAL HB 1.0 . 5.13 1090 864 A 50 VAL HGx% A 43 CYS HBx 1.0 . 3.81 1091 865 A 50 VAL HGy% A 43 CYS HBx 1.0 . 4.78 1092 866 A 43 CYS HBx A 67 LYS HA 1.0 . 5.10 1093 867 A 43 CYS HBx A 68 TYR HA 1.0 . 5.27 1094 868 A 43 CYS HBx A 69 LEU HA 1.0 . 5.36 1095 869 A 69 LEU HDx% A 43 CYS HBx 1.0 . 3.48 1096 870 A 43 CYS HBx A 69 LEU HDy% 1.0 . 3.63 1097 871 A 44 GLN H A 44 GLN HBy 1.0 . 3.31 1098 872 A 44 GLN H A 44 GLN HGx 1.0 . 4.09 1099 872 A 44 GLN H A 44 GLN HGy 1.0 . 4.09 1100 873 A 45 VAL HGy% A 44 GLN H 1.0 . 5.25 1101 874 A 67 LYS HA A 44 GLN H 1.0 . 4.26 1102 875 A 44 GLN H A 67 LYS HBx 1.0 . 4.79 1103 876 A 44 GLN H A 67 LYS HBy 1.0 . 4.23 1104 877 A 69 LEU HDy% A 44 GLN H 1.0 . 5.44 1105 878 A 44 GLN HA A 44 GLN HBx 1.0 . 2.84 1106 879 A 44 GLN HA A 44 GLN HGx 1.0 . 3.23 1107 879 A 44 GLN HGy A 44 GLN HA 1.0 . 3.23 1108 880 A 44 GLN HA A 45 VAL H 1.0 . 2.80 1109 881 A 45 VAL HGy% A 44 GLN HA 1.0 . 4.83 1110 882 A 50 VAL HGx% A 44 GLN HA 1.0 . 5.36 1111 883 A 67 LYS HBy A 44 GLN HA 1.0 . 5.48 1112 884 A 44 GLN HBy A 45 VAL H 1.0 . 4.22 1113 885 A 44 GLN HBy A 45 VAL HA 1.0 . 5.46 1114 886 A 67 LYS HBy A 44 GLN HBy 1.0 . 4.36 1115 887 A 44 GLN HBy A 67 LYS HEx 1.0 . 5.29 1116 887 A 44 GLN HBy A 67 LYS HEy 1.0 . 5.29 1117 888 A 68 TYR HA A 44 GLN HBy 1.0 . 5.75 1118 889 A 67 LYS HBy A 44 GLN HBx 1.0 . 5.44 1119 890 A 44 GLN HBx A 67 LYS HEx 1.0 . 5.75 1120 890 A 44 GLN HBx A 67 LYS HEy 1.0 . 5.75 1121 891 A 45 VAL H A 44 GLN HGx 1.0 . 3.87 1122 891 A 44 GLN HGy A 45 VAL H 1.0 . 3.87 1123 892 A 45 VAL HA A 44 GLN HGx 1.0 . 5.75 1124 892 A 44 GLN HGy A 45 VAL HA 1.0 . 5.75 1125 893 A 67 LYS HBx A 44 GLN HGx 1.0 . 5.40 1126 893 A 67 LYS HBx A 44 GLN HGy 1.0 . 5.40 1127 894 A 67 LYS HBy A 44 GLN HGx 1.0 . 4.84 1128 894 A 67 LYS HBy A 44 GLN HGy 1.0 . 4.84 1129 895 A 44 GLN HGx A 67 LYS HDx 1.0 . 4.75 1130 895 A 44 GLN HGy A 67 LYS HDx 1.0 . 4.75 1131 895 A 67 LYS HDy A 44 GLN HGx 1.0 . 4.75 1132 895 A 67 LYS HDy A 44 GLN HGy 1.0 . 4.75 1133 896 A 45 VAL H A 45 VAL HB 1.0 . 3.68 1134 897 A 45 VAL HGy% A 45 VAL H 1.0 . 3.21 1135 898 A 45 VAL HA A 45 VAL HGx% 1.0 . 2.92 1136 899 A 45 VAL HGy% A 45 VAL HA 1.0 . 3.39 1137 900 A 45 VAL HA A 46 GLU H 1.0 . 2.80 1138 901 A 45 VAL HA A 46 GLU HGx 1.0 . 4.93 1139 901 A 45 VAL HA A 46 GLU HGy 1.0 . 4.93 1140 902 A 50 VAL HGx% A 45 VAL HA 1.0 . 4.14 1141 903 A 45 VAL HB A 46 GLU HA 1.0 . 5.21 1142 904 A 50 VAL HA A 45 VAL HB 1.0 . 5.75 1143 905 A 45 VAL HGx% A 46 GLU H 1.0 . 3.00 1144 906 A 45 VAL HGx% A 46 GLU HA 1.0 . 5.75 1145 907 A 45 VAL HGx% A 46 GLU HGx 1.0 . 4.83 1146 907 A 45 VAL HGx% A 46 GLU HGy 1.0 . 4.83 1147 908 A 45 VAL HGx% A 47 ASN HA 1.0 . 5.75 1148 909 A 45 VAL HGx% A 48 GLY H 1.0 . 3.83 1149 910 A 49 ARG H A 45 VAL HGx% 1.0 . 3.90 1150 911 A 49 ARG HA A 45 VAL HGx% 1.0 . 5.00 1151 912 A 49 ARG HBx A 45 VAL HGx% 1.0 . 5.71 1152 913 A 50 VAL HA A 45 VAL HGx% 1.0 . 5.75 1153 914 A 50 VAL HGx% A 45 VAL HGx% 1.0 . 3.22 1154 915 A 49 ARG HA A 45 VAL HGy% 1.0 . 5.43 1155 916 A 50 VAL HA A 45 VAL HGy% 1.0 . 5.75 1156 917 A 50 VAL HGx% A 45 VAL HGy% 1.0 . 2.81 1157 918 A 46 GLU H A 46 GLU HBx 1.0 . 3.37 1158 918 A 46 GLU H A 46 GLU HBy 1.0 . 3.37 1159 919 A 46 GLU H A 46 GLU HGx 1.0 . 4.27 1160 919 A 46 GLU H A 46 GLU HGy 1.0 . 4.27 1161 920 A 50 VAL HA A 46 GLU H 1.0 . 4.38 1162 921 A 46 GLU HA A 46 GLU HGx 1.0 . 4.43 1163 921 A 46 GLU HGy A 46 GLU HA 1.0 . 4.43 1164 922 A 46 GLU HBy A 47 ASN HBx 1.0 . 5.75 1165 923 A 47 ASN HBx A 46 GLU HBx 1.0 . 5.75 1166 924 A 47 ASN HBy A 46 GLU HBx 1.0 . 5.34 1167 924 A 46 GLU HBy A 47 ASN HBy 1.0 . 5.34 1168 925 A 48 GLY H A 46 GLU HBx 1.0 . 4.86 1169 925 A 48 GLY H A 46 GLU HBy 1.0 . 4.86 1170 926 A 49 ARG H A 46 GLU HBx 1.0 . 4.31 1171 926 A 49 ARG H A 46 GLU HBy 1.0 . 4.31 1172 927 A 47 ASN HBy A 46 GLU HGx 1.0 . 5.75 1173 927 A 46 GLU HGy A 47 ASN HBy 1.0 . 5.75 1174 928 A 47 ASN HBx A 46 GLU HGx 1.0 . 5.75 1175 928 A 46 GLU HGy A 47 ASN HBx 1.0 . 5.75 1176 929 A 48 GLY HAy A 47 ASN HA 1.0 . 5.75 1177 930 A 49 ARG H A 47 ASN HA 1.0 . 5.75 1178 931 A 48 GLY H A 47 ASN HBy 1.0 . 5.75 1179 932 A 49 ARG H A 47 ASN HBy 1.0 . 5.75 1180 933 A 48 GLY H A 47 ASN HBx 1.0 . 5.75 1181 934 A 48 GLY HAy A 47 ASN HBx 1.0 . 5.75 1182 935 A 48 GLY HAx A 47 ASN HBx 1.0 . 5.75 1183 936 A 49 ARG HBx A 47 ASN HBx 1.0 . 5.75 1184 937 A 49 ARG HGy A 47 ASN HBx 1.0 . 5.75 1185 938 A 49 ARG H A 48 GLY H 1.0 . 3.34 1186 939 A 49 ARG HA A 48 GLY HAy 1.0 . 5.14 1187 940 A 49 ARG HGy A 48 GLY HAy 1.0 . 4.73 1188 941 A 49 ARG HA A 48 GLY HAx 1.0 . 4.93 1189 942 A 49 ARG HGx A 48 GLY HAx 1.0 . 4.70 1190 943 A 49 ARG HBx A 49 ARG H 1.0 . 3.41 1191 944 A 49 ARG HDx A 49 ARG H 1.0 . 5.46 1192 945 A 49 ARG H A 49 ARG HGx 1.0 . 4.08 1193 946 A 49 ARG H A 49 ARG HGy 1.0 . 3.33 1194 947 A 50 VAL H A 49 ARG H 1.0 . 4.51 1195 948 A 49 ARG HBy A 49 ARG HA 1.0 . 3.06 1196 949 A 49 ARG HDx A 49 ARG HA 1.0 . 4.43 1197 950 A 49 ARG HDy A 49 ARG HA 1.0 . 4.58 1198 951 A 49 ARG HA A 49 ARG HGx 1.0 . 3.48 1199 952 A 49 ARG HA A 49 ARG HGy 1.0 . 3.56 1200 953 A 50 VAL H A 49 ARG HA 1.0 . 3.15 1201 954 A 49 ARG HA A 50 VAL HA 1.0 . 4.77 1202 955 A 49 ARG HA A 50 VAL HGx% 1.0 . 4.22 1203 956 A 49 ARG HA A 50 VAL HGy% 1.0 . 4.99 1204 957 A 49 ARG HBx A 49 ARG HDx 1.0 . 4.09 1205 958 A 49 ARG HBx A 49 ARG HDy 1.0 . 3.94 1206 959 A 49 ARG HBx A 50 VAL H 1.0 . 4.15 1207 960 A 49 ARG HBx A 50 VAL HA 1.0 . 5.75 1208 961 A 49 ARG HBy A 49 ARG HDx 1.0 . 4.11 1209 962 A 49 ARG HBy A 49 ARG HDy 1.0 . 3.47 1210 963 A 49 ARG HBy A 50 VAL H 1.0 . 3.51 1211 964 A 49 ARG HBy A 50 VAL HA 1.0 . 4.84 1212 965 A 49 ARG HBy A 50 VAL HGy% 1.0 . 5.75 1213 966 A 50 VAL H A 50 VAL HGx% 1.0 . 3.62 1214 967 A 50 VAL H A 50 VAL HGy% 1.0 . 3.22 1215 968 A 50 VAL H A 51 ILE H 1.0 . 4.77 1216 969 A 50 VAL HA A 50 VAL HB 1.0 . 3.02 1217 970 A 50 VAL HA A 50 VAL HGx% 1.0 . 3.15 1218 971 A 50 VAL HA A 50 VAL HGy% 1.0 . 3.81 1219 972 A 50 VAL HA A 51 ILE H 1.0 . 3.02 1220 973 A 51 ILE HA A 50 VAL HA 1.0 . 5.18 1221 974 A 51 ILE HB A 50 VAL HA 1.0 . 5.75 1222 975 A 51 ILE HG1y A 50 VAL HA 1.0 . 4.88 1223 976 A 50 VAL HA A 51 ILE HG1x 1.0 . 4.96 1224 977 A 52 ALA HA A 50 VAL HB 1.0 . 5.75 1225 978 A 50 VAL HB A 69 LEU H 1.0 . 4.96 1226 979 A 50 VAL HB A 69 LEU HBx 1.0 . 4.97 1227 980 A 50 VAL HB A 69 LEU HBy 1.0 . 5.20 1228 981 A 69 LEU HG A 50 VAL HB 1.0 . 4.30 1229 982 A 69 LEU HDy% A 50 VAL HB 1.0 . 2.89 1230 983 A 50 VAL HGx% A 69 LEU HDy% 1.0 . 3.32 1231 984 A 51 ILE HA A 50 VAL HGy% 1.0 . 5.71 1232 985 A 51 ILE HB A 51 ILE H 1.0 . 3.14 1233 986 A 51 ILE HG1y A 51 ILE H 1.0 . 3.31 1234 987 A 51 ILE H A 51 ILE HG1x 1.0 . 3.65 1235 988 A 51 ILE H A 68 TYR HD% 1.0 . 4.53 1236 989 A 68 TYR HE% A 51 ILE H 1.0 . 5.75 1237 990 A 51 ILE HA A 51 ILE HG1y 1.0 . 3.61 1238 991 A 51 ILE HA A 51 ILE HG1x 1.0 . 3.97 1239 992 A 51 ILE HD1% A 51 ILE HA 1.0 . 4.66 1240 993 A 51 ILE HG2% A 51 ILE HA 1.0 . 4.22 1241 994 A 51 ILE HA A 52 ALA HA 1.0 . 4.78 1242 995 A 52 ALA HB% A 51 ILE HA 1.0 . 3.99 1243 996 A 51 ILE HA A 68 TYR HD% 1.0 . 4.88 1244 997 A 68 TYR HE% A 51 ILE HA 1.0 . 5.75 1245 998 A 51 ILE HA A 69 LEU HBx 1.0 . 5.75 1246 999 A 52 ALA H A 51 ILE HB 1.0 . 4.52 1247 1000 A 52 ALA HA A 51 ILE HB 1.0 . 5.75 1248 1001 A 51 ILE HB A 68 TYR HA 1.0 . 4.43 1249 1002 A 51 ILE HB A 68 TYR HD% 1.0 . 3.30 1250 1003 A 68 TYR HE% A 51 ILE HB 1.0 . 3.60 1251 1004 A 51 ILE HB A 69 LEU H 1.0 . 5.75 1252 1005 A 52 ALA H A 51 ILE HG1y 1.0 . 4.91 1253 1006 A 51 ILE HG1y A 68 TYR HD% 1.0 . 4.97 1254 1007 A 68 TYR HE% A 51 ILE HG1y 1.0 . 5.75 1255 1008 A 51 ILE HG1x A 68 TYR HD% 1.0 . 4.71 1256 1009 A 68 TYR HE% A 51 ILE HG1x 1.0 . 4.93 1257 1010 A 51 ILE HD1% A 68 TYR HD% 1.0 . 4.29 1258 1011 A 51 ILE HD1% A 68 TYR HE% 1.0 . 3.90 1259 1012 A 51 ILE HG2% A 51 ILE HG1x 1.0 . 3.25 1260 1013 A 51 ILE HG2% A 52 ALA H 1.0 . 3.44 1261 1014 A 51 ILE HG2% A 52 ALA HA 1.0 . 4.37 1262 1015 A 51 ILE HG2% A 53 CYS HA 1.0 . 4.59 1263 1016 A 51 ILE HG2% A 54 PHE H 1.0 . 4.59 1264 1017 A 51 ILE HG2% A 54 PHE HD% 1.0 . 4.54 1265 1018 A 51 ILE HG2% A 54 PHE HE% 1.0 . 5.75 1266 1019 A 51 ILE HG2% A 68 TYR HA 1.0 . 4.90 1267 1020 A 51 ILE HG2% A 68 TYR HBy 1.0 . 5.30 1268 1021 A 51 ILE HG2% A 68 TYR HBx 1.0 . 4.34 1269 1022 A 51 ILE HG2% A 68 TYR HD% 1.0 . 3.32 1270 1023 A 51 ILE HG2% A 68 TYR HE% 1.0 . 3.18 1271 1024 A 52 ALA H A 52 ALA HB% 1.0 . 3.26 1272 1025 A 52 ALA H A 69 LEU HBx 1.0 . 4.93 1273 1026 A 52 ALA H A 79 LEU HDx% 1.0 . 4.83 1274 1027 A 52 ALA HA A 53 CYS H 1.0 . 3.30 1275 1028 A 52 ALA HA A 53 CYS HA 1.0 . 4.99 1276 1029 A 52 ALA HA A 53 CYS HBx 1.0 . 5.75 1277 1030 A 52 ALA HA A 68 TYR HA 1.0 . 5.13 1278 1031 A 52 ALA HA A 68 TYR HBy 1.0 . 5.37 1279 1032 A 52 ALA HA A 68 TYR HBx 1.0 . 4.79 1280 1033 A 52 ALA HA A 68 TYR HD% 1.0 . 5.41 1281 1034 A 52 ALA HA A 69 LEU H 1.0 . 3.57 1282 1035 A 52 ALA HA A 69 LEU HA 1.0 . 4.31 1283 1036 A 52 ALA HA A 69 LEU HBx 1.0 . 3.23 1284 1037 A 52 ALA HA A 69 LEU HBy 1.0 . 3.72 1285 1038 A 52 ALA HA A 69 LEU HG 1.0 . 4.79 1286 1039 A 52 ALA HA A 69 LEU HDy% 1.0 . 4.94 1287 1040 A 52 ALA HA A 70 HIS HA 1.0 . 5.75 1288 1041 A 52 ALA HA A 71 PRO HDy 1.0 . 5.75 1289 1042 A 79 LEU HDx% A 52 ALA HA 1.0 . 4.96 1290 1043 A 52 ALA HB% A 53 CYS H 1.0 . 3.54 1291 1044 A 52 ALA HB% A 53 CYS HA 1.0 . 4.87 1292 1045 A 52 ALA HB% A 53 CYS HBx 1.0 . 5.75 1293 1046 A 52 ALA HB% A 53 CYS HBy 1.0 . 5.19 1294 1047 A 52 ALA HB% A 54 PHE HBx 1.0 . 5.75 1295 1048 A 52 ALA HB% A 54 PHE HD% 1.0 . 5.75 1296 1049 A 52 ALA HB% A 68 TYR HBx 1.0 . 5.75 1297 1050 A 52 ALA HB% A 69 LEU HA 1.0 . 5.75 1298 1051 A 52 ALA HB% A 69 LEU HBx 1.0 . 3.67 1299 1052 A 52 ALA HB% A 70 HIS HA 1.0 . 5.40 1300 1053 A 52 ALA HB% A 71 PRO HDx 1.0 . 4.70 1301 1054 A 52 ALA HB% A 71 PRO HDy 1.0 . 3.73 1302 1055 A 52 ALA HB% A 79 LEU HG 1.0 . 5.00 1303 1056 A 79 LEU HDx% A 52 ALA HB% 1.0 . 2.88 1304 1057 A 53 CYS H A 53 CYS HBx 1.0 . 3.67 1305 1058 A 53 CYS H A 53 CYS HBy 1.0 . 3.49 1306 1059 A 54 PHE H A 53 CYS H 1.0 . 4.25 1307 1060 A 68 TYR HBy A 53 CYS H 1.0 . 4.29 1308 1061 A 68 TYR HD% A 53 CYS H 1.0 . 5.20 1309 1062 A 69 LEU H A 53 CYS H 1.0 . 4.26 1310 1063 A 69 LEU HBx A 53 CYS H 1.0 . 4.38 1311 1064 A 69 LEU HBy A 53 CYS H 1.0 . 4.79 1312 1065 A 69 LEU HDy% A 53 CYS H 1.0 . 5.36 1313 1066 A 53 CYS H A 70 HIS HA 1.0 . 4.69 1314 1067 A 53 CYS H A 71 PRO HDx 1.0 . 4.72 1315 1068 A 53 CYS HA A 54 PHE H 1.0 . 3.32 1316 1069 A 53 CYS HA A 55 ASP H 1.0 . 5.75 1317 1070 A 53 CYS HA A 68 TYR HA 1.0 . 4.92 1318 1071 A 53 CYS HA A 68 TYR HBy 1.0 . 3.53 1319 1072 A 53 CYS HA A 68 TYR HBx 1.0 . 3.31 1320 1073 A 53 CYS HA A 68 TYR HD% 1.0 . 4.01 1321 1074 A 68 TYR HE% A 53 CYS HA 1.0 . 5.41 1322 1075 A 53 CYS HA A 69 LEU H 1.0 . 5.07 1323 1076 A 53 CYS HA A 70 HIS HA 1.0 . 5.43 1324 1077 A 54 PHE H A 53 CYS HBx 1.0 . 4.84 1325 1078 A 53 CYS HBx A 56 SER HBy 1.0 . 4.46 1326 1079 A 68 TYR HA A 53 CYS HBx 1.0 . 4.68 1327 1080 A 68 TYR HBy A 53 CYS HBx 1.0 . 3.75 1328 1081 A 68 TYR HBx A 53 CYS HBx 1.0 . 3.74 1329 1082 A 69 LEU H A 53 CYS HBx 1.0 . 4.58 1330 1083 A 69 LEU HA A 53 CYS HBx 1.0 . 5.75 1331 1084 A 69 LEU HDy% A 53 CYS HBx 1.0 . 5.75 1332 1085 A 53 CYS HBx A 70 HIS HA 1.0 . 4.79 1333 1086 A 53 CYS HBx A 70 HIS HE1 1.0 . 5.75 1334 1087 A 53 CYS HBy A 56 SER H 1.0 . 4.10 1335 1088 A 53 CYS HBy A 56 SER HA 1.0 . 5.17 1336 1089 A 53 CYS HBy A 56 SER HBx 1.0 . 3.95 1337 1090 A 53 CYS HBy A 56 SER HBy 1.0 . 3.88 1338 1091 A 53 CYS HBy A 57 LEU H 1.0 . 5.28 1339 1092 A 53 CYS HBy A 57 LEU HDy% 1.0 . 5.44 1340 1092 A 53 CYS HBy A 57 LEU HDx% 1.0 . 5.44 1341 1093 A 68 TYR HD% A 53 CYS HBy 1.0 . 5.75 1342 1094 A 69 LEU HA A 53 CYS HBy 1.0 . 5.75 1343 1095 A 70 HIS HA A 53 CYS HBy 1.0 . 4.61 1344 1096 A 53 CYS HBy A 71 PRO HDx 1.0 . 5.32 1345 1097 A 54 PHE H A 54 PHE HBy 1.0 . 3.64 1346 1098 A 54 PHE H A 54 PHE HBx 1.0 . 3.32 1347 1099 A 54 PHE HD% A 54 PHE H 1.0 . 4.48 1348 1100 A 54 PHE H A 55 ASP H 1.0 . 3.60 1349 1101 A 54 PHE HD% A 54 PHE HA 1.0 . 3.93 1350 1102 A 54 PHE HA A 55 ASP HA 1.0 . 5.13 1351 1103 A 54 PHE HA A 57 LEU H 1.0 . 3.80 1352 1104 A 54 PHE HA A 57 LEU HBy 1.0 . 4.13 1353 1105 A 54 PHE HA A 58 LYS HGy 1.0 . 5.49 1354 1106 A 54 PHE HBy A 55 ASP H 1.0 . 3.71 1355 1107 A 54 PHE HBy A 58 LYS HBx 1.0 . 5.14 1356 1108 A 54 PHE HBy A 58 LYS HGy 1.0 . 5.23 1357 1109 A 54 PHE HBy A 58 LYS HDx 1.0 . 4.89 1358 1109 A 58 LYS HDy A 54 PHE HBy 1.0 . 4.89 1359 1110 A 54 PHE HBx A 58 LYS HGy 1.0 . 5.75 1360 1111 A 54 PHE HD% A 55 ASP H 1.0 . 4.07 1361 1112 A 54 PHE HD% A 55 ASP HA 1.0 . 4.65 1362 1113 A 54 PHE HD% A 58 LYS HBx 1.0 . 5.42 1363 1114 A 54 PHE HD% A 58 LYS HGy 1.0 . 5.75 1364 1115 A 54 PHE HE% A 55 ASP HA 1.0 . 5.40 1365 1116 A 54 PHE HE% A 60 ARG HBx 1.0 . 5.34 1366 1116 A 54 PHE HE% A 60 ARG HBy 1.0 . 5.34 1367 1117 A 54 PHE HE% A 60 ARG HGx 1.0 . 5.75 1368 1117 A 54 PHE HE% A 60 ARG HGy 1.0 . 5.75 1369 1118 A 55 ASP H A 55 ASP HBx 1.0 . 3.65 1370 1119 A 55 ASP H A 55 ASP HBy 1.0 . 3.65 1371 1120 A 55 ASP H A 55 ASP HBy 1.0 . 3.13 1372 1120 A 55 ASP H A 55 ASP HBx 1.0 . 3.13 1373 1121 A 55 ASP H A 56 SER H 1.0 . 3.56 1374 1122 A 55 ASP H A 57 LEU H 1.0 . 4.98 1375 1123 A 55 ASP HA A 58 LYS H 1.0 . 4.18 1376 1124 A 55 ASP HA A 58 LYS HBx 1.0 . 4.23 1377 1125 A 55 ASP HA A 58 LYS HBy 1.0 . 5.06 1378 1126 A 55 ASP HA A 58 LYS HGx 1.0 . 5.14 1379 1127 A 55 ASP HA A 58 LYS HGy 1.0 . 4.85 1380 1128 A 55 ASP HA A 61 CYS HBy 1.0 . 4.60 1381 1128 A 55 ASP HA A 61 CYS HBx 1.0 . 4.60 1382 1129 A 56 SER HA A 55 ASP HBx 1.0 . 5.36 1383 1130 A 60 ARG HGy A 55 ASP HBx 1.0 . 5.08 1384 1130 A 55 ASP HBx A 60 ARG HGx 1.0 . 5.08 1385 1131 A 55 ASP HBx A 61 CYS HA 1.0 . 3.63 1386 1132 A 56 SER HA A 55 ASP HBy 1.0 . 5.36 1387 1133 A 60 ARG HGy A 55 ASP HBy 1.0 . 5.08 1388 1133 A 55 ASP HBy A 60 ARG HGx 1.0 . 5.08 1389 1134 A 61 CYS HA A 55 ASP HBy 1.0 . 3.63 1390 1135 A 56 SER H A 55 ASP HBy 1.0 . 3.70 1391 1135 A 56 SER H A 55 ASP HBx 1.0 . 3.70 1392 1136 A 55 ASP HBx A 60 ARG HBx 1.0 . 4.53 1393 1136 A 55 ASP HBy A 60 ARG HBx 1.0 . 4.53 1394 1136 A 60 ARG HBy A 55 ASP HBy 1.0 . 4.53 1395 1136 A 60 ARG HBy A 55 ASP HBx 1.0 . 4.53 1396 1137 A 55 ASP HBx A 60 ARG HGx 1.0 . 4.42 1397 1137 A 55 ASP HBy A 60 ARG HGx 1.0 . 4.42 1398 1137 A 60 ARG HGy A 55 ASP HBy 1.0 . 4.42 1399 1137 A 60 ARG HGy A 55 ASP HBx 1.0 . 4.42 1400 1138 A 56 SER H A 56 SER HBx 1.0 . 3.71 1401 1139 A 56 SER HBy A 56 SER H 1.0 . 3.63 1402 1140 A 56 SER H A 57 LEU H 1.0 . 3.59 1403 1141 A 56 SER H A 61 CYS HA 1.0 . 5.75 1404 1142 A 56 SER H A 61 CYS HBy 1.0 . 3.93 1405 1142 A 56 SER H A 61 CYS HBx 1.0 . 3.93 1406 1143 A 56 SER HA A 58 LYS H 1.0 . 4.74 1407 1144 A 56 SER HA A 60 ARG H 1.0 . 5.05 1408 1145 A 56 SER HA A 61 CYS H 1.0 . 4.23 1409 1146 A 56 SER HA A 61 CYS HA 1.0 . 5.07 1410 1147 A 56 SER HA A 61 CYS HBx 1.0 . 4.15 1411 1148 A 56 SER HA A 61 CYS HBy 1.0 . 4.15 1412 1149 A 56 SER HA A 61 CYS HBy 1.0 . 3.60 1413 1149 A 56 SER HA A 61 CYS HBx 1.0 . 3.60 1414 1150 A 56 SER HBx A 57 LEU H 1.0 . 4.22 1415 1151 A 56 SER HBx A 61 CYS HBx 1.0 . 4.37 1416 1152 A 56 SER HBx A 61 CYS HBy 1.0 . 4.37 1417 1153 A 70 HIS HA A 56 SER HBx 1.0 . 5.21 1418 1154 A 56 SER HBx A 70 HIS HBx 1.0 . 5.75 1419 1155 A 56 SER HBx A 70 HIS HBy 1.0 . 5.02 1420 1156 A 71 PRO HDx A 56 SER HBx 1.0 . 4.88 1421 1157 A 56 SER HBy A 57 LEU H 1.0 . 4.40 1422 1158 A 56 SER HBy A 57 LEU HA 1.0 . 5.75 1423 1159 A 56 SER HBy A 57 LEU HDy% 1.0 . 5.44 1424 1159 A 56 SER HBy A 57 LEU HDx% 1.0 . 5.44 1425 1160 A 56 SER HBy A 61 CYS HBx 1.0 . 4.39 1426 1161 A 56 SER HBy A 61 CYS HBy 1.0 . 4.39 1427 1162 A 70 HIS HA A 56 SER HBy 1.0 . 4.56 1428 1163 A 56 SER HBy A 70 HIS HBx 1.0 . 5.75 1429 1164 A 56 SER HBy A 70 HIS HBy 1.0 . 4.87 1430 1165 A 56 SER HBy A 70 HIS HE1 1.0 . 5.38 1431 1166 A 71 PRO HDx A 56 SER HBy 1.0 . 5.16 1432 1167 A 57 LEU HBy A 57 LEU H 1.0 . 3.54 1433 1168 A 57 LEU HBx A 57 LEU H 1.0 . 3.57 1434 1169 A 57 LEU H A 57 LEU HDy% 1.0 . 3.79 1435 1169 A 57 LEU H A 57 LEU HDx% 1.0 . 3.79 1436 1170 A 57 LEU H A 58 LYS H 1.0 . 3.17 1437 1171 A 57 LEU H A 61 CYS HBy 1.0 . 5.21 1438 1171 A 57 LEU H A 61 CYS HBx 1.0 . 5.21 1439 1172 A 71 PRO HDx A 57 LEU H 1.0 . 4.70 1440 1173 A 57 LEU HG A 57 LEU HA 1.0 . 3.79 1441 1174 A 57 LEU HA A 57 LEU HDy% 1.0 . 2.98 1442 1174 A 57 LEU HDx% A 57 LEU HA 1.0 . 2.98 1443 1175 A 57 LEU HA A 58 LYS HA 1.0 . 5.23 1444 1176 A 57 LEU HBy A 57 LEU HDx% 1.0 . 3.55 1445 1177 A 57 LEU HBy A 57 LEU HDy% 1.0 . 3.55 1446 1178 A 57 LEU HBy A 57 LEU HDy% 1.0 . 3.07 1447 1178 A 57 LEU HBy A 57 LEU HDx% 1.0 . 3.07 1448 1179 A 57 LEU HBy A 58 LYS H 1.0 . 3.91 1449 1180 A 57 LEU HBy A 58 LYS HA 1.0 . 5.75 1450 1181 A 57 LEU HBy A 58 LYS HGx 1.0 . 4.40 1451 1182 A 57 LEU HBy A 71 PRO HDx 1.0 . 5.75 1452 1183 A 57 LEU HBx A 57 LEU HDx% 1.0 . 3.43 1453 1184 A 57 LEU HBx A 57 LEU HDy% 1.0 . 3.43 1454 1185 A 57 LEU HBx A 57 LEU HDy% 1.0 . 2.99 1455 1185 A 57 LEU HBx A 57 LEU HDx% 1.0 . 2.99 1456 1186 A 57 LEU HBx A 58 LYS H 1.0 . 4.16 1457 1187 A 57 LEU HBx A 58 LYS HA 1.0 . 5.26 1458 1188 A 57 LEU HBx A 58 LYS HGx 1.0 . 4.48 1459 1189 A 57 LEU HBx A 58 LYS HGy 1.0 . 5.18 1460 1190 A 57 LEU HG A 71 PRO HDy 1.0 . 4.72 1461 1191 A 57 LEU HG A 76 LYS HGy 1.0 . 5.49 1462 1192 A 57 LEU HG A 76 LYS HGx 1.0 . 5.75 1463 1193 A 57 LEU HDx% A 58 LYS HA 1.0 . 5.75 1464 1194 A 57 LEU HDx% A 76 LYS HGx 1.0 . 5.75 1465 1195 A 57 LEU HDx% A 76 LYS HDy 1.0 . 4.94 1466 1195 A 57 LEU HDx% A 76 LYS HDx 1.0 . 4.94 1467 1196 A 58 LYS HA A 57 LEU HDy% 1.0 . 5.75 1468 1197 A 76 LYS HGx A 57 LEU HDy% 1.0 . 5.75 1469 1198 A 76 LYS HDy A 57 LEU HDy% 1.0 . 4.94 1470 1198 A 57 LEU HDy% A 76 LYS HDx 1.0 . 4.94 1471 1199 A 58 LYS H A 57 LEU HDy% 1.0 . 4.65 1472 1199 A 57 LEU HDx% A 58 LYS H 1.0 . 4.65 1473 1200 A 71 PRO HDx A 57 LEU HDy% 1.0 . 4.63 1474 1200 A 71 PRO HDx A 57 LEU HDx% 1.0 . 4.63 1475 1201 A 71 PRO HDy A 57 LEU HDy% 1.0 . 3.88 1476 1201 A 71 PRO HDy A 57 LEU HDx% 1.0 . 3.88 1477 1202 A 76 LYS HGy A 57 LEU HDy% 1.0 . 3.32 1478 1202 A 57 LEU HDx% A 76 LYS HGy 1.0 . 3.32 1479 1203 A 76 LYS HGx A 57 LEU HDy% 1.0 . 4.69 1480 1203 A 57 LEU HDx% A 76 LYS HGx 1.0 . 4.69 1481 1204 A 57 LEU HDx% A 76 LYS HDx 1.0 . 4.26 1482 1204 A 57 LEU HDy% A 76 LYS HDx 1.0 . 4.26 1483 1204 A 76 LYS HDy A 57 LEU HDy% 1.0 . 4.26 1484 1204 A 57 LEU HDx% A 76 LYS HDy 1.0 . 4.26 1485 1205 A 57 LEU HDy% A 79 LEU HBy 1.0 . 4.71 1486 1205 A 79 LEU HBx A 57 LEU HDy% 1.0 . 4.71 1487 1205 A 79 LEU HBx A 57 LEU HDx% 1.0 . 4.71 1488 1205 A 57 LEU HDx% A 79 LEU HBy 1.0 . 4.71 1489 1206 A 58 LYS HBx A 58 LYS H 1.0 . 3.74 1490 1207 A 58 LYS H A 58 LYS HGx 1.0 . 3.91 1491 1208 A 58 LYS HGy A 58 LYS H 1.0 . 4.22 1492 1209 A 58 LYS H A 58 LYS HDx 1.0 . 5.32 1493 1209 A 58 LYS HDy A 58 LYS H 1.0 . 5.32 1494 1210 A 58 LYS H A 59 GLY H 1.0 . 3.97 1495 1211 A 58 LYS H A 60 ARG H 1.0 . 5.05 1496 1212 A 58 LYS HGx A 58 LYS HA 1.0 . 3.64 1497 1213 A 58 LYS HGy A 58 LYS HA 1.0 . 3.83 1498 1214 A 58 LYS HA A 58 LYS HDx 1.0 . 3.16 1499 1214 A 58 LYS HDy A 58 LYS HA 1.0 . 3.16 1500 1215 A 58 LYS HA A 58 LYS HEy 1.0 . 4.13 1501 1215 A 58 LYS HA A 58 LYS HEx 1.0 . 4.13 1502 1216 A 58 LYS HA A 59 GLY HAx 1.0 . 4.91 1503 1216 A 58 LYS HA A 59 GLY HAy 1.0 . 4.91 1504 1217 A 58 LYS HBx A 58 LYS HDx 1.0 . 3.63 1505 1217 A 58 LYS HDy A 58 LYS HBx 1.0 . 3.63 1506 1218 A 58 LYS HBy A 58 LYS HEy 1.0 . 3.61 1507 1218 A 58 LYS HBy A 58 LYS HEx 1.0 . 3.61 1508 1219 A 58 LYS HBy A 59 GLY H 1.0 . 4.21 1509 1220 A 58 LYS HGx A 59 GLY H 1.0 . 5.05 1510 1221 A 58 LYS HGy A 58 LYS HEx 1.0 . 4.24 1511 1222 A 58 LYS HGy A 58 LYS HEy 1.0 . 4.24 1512 1223 A 60 ARG H A 59 GLY H 1.0 . 4.23 1513 1224 A 60 ARG HA A 59 GLY HAx 1.0 . 5.02 1514 1224 A 59 GLY HAy A 60 ARG HA 1.0 . 5.02 1515 1225 A 60 ARG H A 60 ARG HBx 1.0 . 3.63 1516 1225 A 60 ARG HBy A 60 ARG H 1.0 . 3.63 1517 1226 A 60 ARG H A 60 ARG HDx 1.0 . 5.75 1518 1226 A 60 ARG H A 60 ARG HDy 1.0 . 5.75 1519 1227 A 60 ARG H A 60 ARG HGx 1.0 . 4.37 1520 1227 A 60 ARG HGy A 60 ARG H 1.0 . 4.37 1521 1228 A 60 ARG H A 61 CYS H 1.0 . 4.16 1522 1229 A 61 CYS HA A 60 ARG H 1.0 . 5.59 1523 1230 A 61 CYS HBx A 60 ARG H 1.0 . 4.32 1524 1231 A 60 ARG H A 61 CYS HBy 1.0 . 4.32 1525 1232 A 60 ARG HA A 60 ARG HDx 1.0 . 4.20 1526 1232 A 60 ARG HA A 60 ARG HDy 1.0 . 4.20 1527 1233 A 60 ARG HA A 60 ARG HGx 1.0 . 3.38 1528 1233 A 60 ARG HGy A 60 ARG HA 1.0 . 3.38 1529 1234 A 60 ARG HDy A 60 ARG HBx 1.0 . 3.66 1530 1234 A 60 ARG HBx A 60 ARG HDx 1.0 . 3.66 1531 1235 A 60 ARG HBy A 60 ARG HDy 1.0 . 3.66 1532 1235 A 60 ARG HBy A 60 ARG HDx 1.0 . 3.66 1533 1236 A 61 CYS HA A 60 ARG HGx 1.0 . 4.41 1534 1236 A 60 ARG HGy A 61 CYS HA 1.0 . 4.41 1535 1237 A 61 CYS H A 61 CYS HBy 1.0 . 3.68 1536 1237 A 61 CYS HBx A 61 CYS H 1.0 . 3.68 1537 1238 A 61 CYS HA A 62 SER HBy 1.0 . 4.64 1538 1238 A 61 CYS HA A 62 SER HBx 1.0 . 4.64 1539 1239 A 61 CYS HA A 63 ARG H 1.0 . 4.45 1540 1240 A 63 ARG H A 61 CYS HBy 1.0 . 5.11 1541 1240 A 61 CYS HBx A 63 ARG H 1.0 . 5.11 1542 1241 A 62 SER HBx A 62 SER HA 1.0 . 3.02 1543 1242 A 62 SER HA A 62 SER HBy 1.0 . 3.02 1544 1243 A 62 SER HBx A 63 ARG H 1.0 . 4.82 1545 1244 A 63 ARG H A 62 SER HBy 1.0 . 4.82 1546 1245 A 63 ARG H A 62 SER HBy 1.0 . 4.17 1547 1245 A 62 SER HBx A 63 ARG H 1.0 . 4.17 1548 1246 A 63 ARG H A 63 ARG HBy 1.0 . 3.33 1549 1247 A 63 ARG H A 63 ARG HBx 1.0 . 4.40 1550 1248 A 63 ARG H A 63 ARG HDx 1.0 . 5.72 1551 1249 A 63 ARG H A 63 ARG HDy 1.0 . 5.75 1552 1250 A 63 ARG HDx A 63 ARG HA 1.0 . 4.68 1553 1251 A 63 ARG HDy A 63 ARG HA 1.0 . 4.93 1554 1252 A 63 ARG HA A 63 ARG HGy 1.0 . 3.76 1555 1253 A 63 ARG HA A 63 ARG HGx 1.0 . 3.55 1556 1254 A 63 ARG HA A 64 GLU HGy 1.0 . 5.12 1557 1255 A 63 ARG HA A 64 GLU HGx 1.0 . 5.12 1558 1256 A 63 ARG HBy A 63 ARG HDx 1.0 . 3.58 1559 1257 A 63 ARG HBy A 63 ARG HDy 1.0 . 3.96 1560 1258 A 63 ARG HBx A 63 ARG HDx 1.0 . 3.39 1561 1259 A 63 ARG HBx A 63 ARG HDy 1.0 . 3.87 1562 1260 A 63 ARG HBx A 66 CYS H 1.0 . 4.67 1563 1261 A 63 ARG HBx A 66 CYS HA 1.0 . 4.40 1564 1262 A 63 ARG HDx A 66 CYS HA 1.0 . 3.95 1565 1263 A 63 ARG HDx A 66 CYS HBy 1.0 . 5.75 1566 1264 A 65 ASN HBx A 63 ARG HDy 1.0 . 5.75 1567 1265 A 65 ASN HBy A 63 ARG HDy 1.0 . 5.75 1568 1266 A 63 ARG HDy A 66 CYS HA 1.0 . 4.09 1569 1267 A 64 GLU HGy A 64 GLU HA 1.0 . 4.82 1570 1268 A 64 GLU HGx A 64 GLU HA 1.0 . 4.82 1571 1269 A 64 GLU HA A 64 GLU HBx 1.0 . 2.85 1572 1269 A 64 GLU HA A 64 GLU HBy 1.0 . 2.85 1573 1270 A 65 ASN HBx A 64 GLU HA 1.0 . 5.75 1574 1271 A 65 ASN HA A 64 GLU HBx 1.0 . 5.11 1575 1271 A 65 ASN HA A 64 GLU HBy 1.0 . 5.11 1576 1272 A 65 ASN HBx A 64 GLU HBx 1.0 . 5.16 1577 1272 A 65 ASN HBx A 64 GLU HBy 1.0 . 5.16 1578 1273 A 65 ASN HBy A 64 GLU HBx 1.0 . 5.21 1579 1273 A 65 ASN HBy A 64 GLU HBy 1.0 . 5.21 1580 1274 A 66 CYS H A 65 ASN H 1.0 . 4.61 1581 1275 A 65 ASN HA A 66 CYS H 1.0 . 3.28 1582 1276 A 65 ASN HA A 66 CYS HA 1.0 . 5.22 1583 1277 A 66 CYS H A 66 CYS HBx 1.0 . 3.19 1584 1278 A 66 CYS H A 66 CYS HBy 1.0 . 3.63 1585 1279 A 66 CYS H A 67 LYS H 1.0 . 4.76 1586 1280 A 68 TYR H A 66 CYS H 1.0 . 5.32 1587 1281 A 66 CYS HA A 67 LYS H 1.0 . 2.90 1588 1282 A 67 LYS HA A 66 CYS HA 1.0 . 5.75 1589 1283 A 67 LYS HGx A 66 CYS HA 1.0 . 5.16 1590 1284 A 67 LYS HGy A 66 CYS HA 1.0 . 5.22 1591 1285 A 66 CYS HA A 67 LYS HDx 1.0 . 5.58 1592 1285 A 67 LYS HDy A 66 CYS HA 1.0 . 5.58 1593 1286 A 68 TYR HD% A 66 CYS HA 1.0 . 4.93 1594 1287 A 66 CYS HBy A 67 LYS H 1.0 . 4.23 1595 1288 A 67 LYS HA A 66 CYS HBy 1.0 . 5.75 1596 1289 A 68 TYR HD% A 66 CYS HBy 1.0 . 5.75 1597 1290 A 67 LYS HBx A 67 LYS H 1.0 . 3.75 1598 1291 A 67 LYS HBy A 67 LYS H 1.0 . 3.77 1599 1292 A 67 LYS HGx A 67 LYS H 1.0 . 3.93 1600 1293 A 67 LYS HGy A 67 LYS H 1.0 . 3.71 1601 1294 A 68 TYR H A 67 LYS H 1.0 . 3.48 1602 1295 A 68 TYR HD% A 67 LYS H 1.0 . 4.68 1603 1296 A 67 LYS HGx A 67 LYS HA 1.0 . 3.67 1604 1297 A 67 LYS HA A 67 LYS HGy 1.0 . 3.78 1605 1298 A 67 LYS HA A 67 LYS HDx 1.0 . 4.72 1606 1298 A 67 LYS HDy A 67 LYS HA 1.0 . 4.72 1607 1299 A 67 LYS HA A 67 LYS HEx 1.0 . 5.14 1608 1299 A 67 LYS HA A 67 LYS HEy 1.0 . 5.14 1609 1300 A 67 LYS HA A 68 TYR HA 1.0 . 5.24 1610 1301 A 67 LYS HBx A 67 LYS HEx 1.0 . 4.63 1611 1301 A 67 LYS HBx A 67 LYS HEy 1.0 . 4.63 1612 1302 A 67 LYS HBx A 68 TYR H 1.0 . 4.75 1613 1303 A 67 LYS HBx A 68 TYR HA 1.0 . 5.15 1614 1304 A 67 LYS HBx A 68 TYR HD% 1.0 . 4.66 1615 1305 A 68 TYR HE% A 67 LYS HBx 1.0 . 5.14 1616 1306 A 67 LYS HBy A 67 LYS HEx 1.0 . 4.29 1617 1306 A 67 LYS HBy A 67 LYS HEy 1.0 . 4.29 1618 1307 A 67 LYS HBy A 68 TYR H 1.0 . 4.72 1619 1308 A 67 LYS HBy A 68 TYR HA 1.0 . 5.75 1620 1309 A 67 LYS HBy A 68 TYR HD% 1.0 . 5.08 1621 1310 A 68 TYR HE% A 67 LYS HBy 1.0 . 5.22 1622 1311 A 67 LYS HGx A 67 LYS HEx 1.0 . 3.50 1623 1311 A 67 LYS HGx A 67 LYS HEy 1.0 . 3.50 1624 1312 A 67 LYS HGx A 68 TYR H 1.0 . 5.13 1625 1313 A 67 LYS HGx A 68 TYR HD% 1.0 . 5.75 1626 1314 A 67 LYS HGy A 68 TYR H 1.0 . 4.72 1627 1315 A 67 LYS HGy A 68 TYR HD% 1.0 . 4.56 1628 1316 A 68 TYR HE% A 67 LYS HGy 1.0 . 4.74 1629 1317 A 68 TYR HE% A 67 LYS HDx 1.0 . 5.33 1630 1317 A 68 TYR HE% A 67 LYS HDy 1.0 . 5.33 1631 1318 A 68 TYR HE% A 67 LYS HEx 1.0 . 4.11 1632 1318 A 68 TYR HE% A 67 LYS HEy 1.0 . 4.11 1633 1319 A 68 TYR H A 68 TYR HBy 1.0 . 3.57 1634 1320 A 68 TYR H A 68 TYR HBx 1.0 . 3.69 1635 1321 A 68 TYR H A 68 TYR HD% 1.0 . 3.70 1636 1322 A 68 TYR HE% A 68 TYR H 1.0 . 4.84 1637 1323 A 68 TYR HA A 68 TYR HD% 1.0 . 3.16 1638 1324 A 68 TYR HE% A 68 TYR HA 1.0 . 5.05 1639 1325 A 68 TYR HA A 69 LEU H 1.0 . 3.38 1640 1326 A 68 TYR HA A 69 LEU HA 1.0 . 5.23 1641 1327 A 68 TYR HA A 69 LEU HBx 1.0 . 4.88 1642 1328 A 69 LEU HG A 68 TYR HA 1.0 . 5.75 1643 1329 A 69 LEU HDy% A 68 TYR HA 1.0 . 4.12 1644 1330 A 69 LEU H A 68 TYR HBy 1.0 . 4.31 1645 1331 A 69 LEU HDy% A 68 TYR HBy 1.0 . 5.75 1646 1332 A 69 LEU H A 68 TYR HBx 1.0 . 3.81 1647 1333 A 69 LEU HA A 68 TYR HBx 1.0 . 5.75 1648 1334 A 69 LEU HBx A 68 TYR HBx 1.0 . 4.87 1649 1335 A 69 LEU H A 68 TYR HD% 1.0 . 4.25 1650 1336 A 69 LEU H A 69 LEU HBx 1.0 . 3.57 1651 1337 A 69 LEU H A 69 LEU HBy 1.0 . 3.59 1652 1338 A 69 LEU HG A 69 LEU H 1.0 . 3.94 1653 1339 A 69 LEU HDx% A 69 LEU H 1.0 . 3.79 1654 1340 A 69 LEU HDy% A 69 LEU H 1.0 . 4.00 1655 1341 A 69 LEU H A 70 HIS H 1.0 . 4.91 1656 1342 A 69 LEU HG A 69 LEU HA 1.0 . 3.91 1657 1343 A 69 LEU HDx% A 69 LEU HA 1.0 . 2.97 1658 1344 A 69 LEU HDy% A 69 LEU HA 1.0 . 3.76 1659 1345 A 69 LEU HA A 70 HIS H 1.0 . 3.14 1660 1346 A 69 LEU HA A 70 HIS HA 1.0 . 5.49 1661 1347 A 69 LEU HDx% A 69 LEU HBx 1.0 . 3.59 1662 1348 A 69 LEU HDy% A 69 LEU HBx 1.0 . 3.25 1663 1349 A 69 LEU HBx A 70 HIS H 1.0 . 4.64 1664 1350 A 69 LEU HDx% A 69 LEU HBy 1.0 . 3.24 1665 1351 A 69 LEU HDy% A 69 LEU HBy 1.0 . 3.36 1666 1352 A 69 LEU HBy A 70 HIS H 1.0 . 4.64 1667 1353 A 69 LEU HDx% A 70 HIS H 1.0 . 3.59 1668 1354 A 69 LEU HDx% A 70 HIS HA 1.0 . 5.75 1669 1355 A 69 LEU HDy% A 70 HIS H 1.0 . 5.64 1670 1356 A 70 HIS HBx A 70 HIS H 1.0 . 3.65 1671 1357 A 70 HIS HBy A 70 HIS H 1.0 . 4.01 1672 1358 A 71 PRO HDx A 70 HIS H 1.0 . 5.10 1673 1359 A 70 HIS HA A 71 PRO HDx 1.0 . 3.23 1674 1360 A 70 HIS HA A 71 PRO HDy 1.0 . 3.26 1675 1361 A 71 PRO HDy A 70 HIS HBx 1.0 . 4.84 1676 1362 A 70 HIS HBy A 70 HIS HD2 1.0 . 4.67 1677 1363 A 71 PRO HDx A 70 HIS HBy 1.0 . 4.40 1678 1364 A 71 PRO HDy A 70 HIS HBy 1.0 . 4.47 1679 1365 A 72 PRO HDx A 71 PRO HA 1.0 . 5.75 1680 1366 A 72 PRO HDy A 71 PRO HA 1.0 . 5.75 1681 1367 A 75 LEU HBx A 71 PRO HA 1.0 . 4.72 1682 1368 A 75 LEU HBy A 71 PRO HA 1.0 . 5.17 1683 1369 A 71 PRO HA A 76 LYS HDx 1.0 . 5.23 1684 1369 A 76 LYS HDy A 71 PRO HA 1.0 . 5.23 1685 1370 A 79 LEU HDx% A 71 PRO HDy 1.0 . 5.30 1686 1371 A 72 PRO HA A 73 PRO HA 1.0 . 4.54 1687 1372 A 72 PRO HA A 73 PRO HDx 1.0 . 3.37 1688 1373 A 72 PRO HA A 73 PRO HDy 1.0 . 3.21 1689 1374 A 72 PRO HA A 73 PRO HGx 1.0 . 5.00 1690 1375 A 72 PRO HA A 73 PRO HGy 1.0 . 5.00 1691 1376 A 72 PRO HA A 73 PRO HGy 1.0 . 4.28 1692 1376 A 72 PRO HA A 73 PRO HGx 1.0 . 4.28 1693 1377 A 72 PRO HA A 76 LYS HGx 1.0 . 4.82 1694 1378 A 72 PRO HA A 76 LYS HDx 1.0 . 5.75 1695 1378 A 72 PRO HA A 76 LYS HDy 1.0 . 5.75 1696 1379 A 73 PRO HDx A 72 PRO HBy 1.0 . 3.91 1697 1380 A 73 PRO HDy A 72 PRO HBy 1.0 . 3.99 1698 1381 A 75 LEU HDx% A 72 PRO HBy 1.0 . 4.97 1699 1382 A 72 PRO HBx A 73 PRO HDx 1.0 . 3.91 1700 1383 A 72 PRO HBx A 73 PRO HDy 1.0 . 3.99 1701 1384 A 75 LEU HDx% A 72 PRO HBx 1.0 . 4.97 1702 1385 A 72 PRO HDx A 75 LEU H 1.0 . 4.71 1703 1386 A 75 LEU HBx A 72 PRO HDx 1.0 . 3.90 1704 1387 A 75 LEU HBy A 72 PRO HDx 1.0 . 4.09 1705 1388 A 72 PRO HDx A 75 LEU HG 1.0 . 4.48 1706 1389 A 75 LEU HDx% A 72 PRO HDx 1.0 . 3.42 1707 1390 A 75 LEU HDy% A 72 PRO HDx 1.0 . 4.94 1708 1391 A 72 PRO HDx A 76 LYS HGx 1.0 . 5.75 1709 1392 A 72 PRO HDy A 75 LEU H 1.0 . 4.72 1710 1393 A 75 LEU HBx A 72 PRO HDy 1.0 . 4.08 1711 1394 A 75 LEU HBy A 72 PRO HDy 1.0 . 5.20 1712 1395 A 72 PRO HDy A 75 LEU HG 1.0 . 5.35 1713 1396 A 75 LEU HDx% A 72 PRO HDy 1.0 . 3.49 1714 1397 A 72 PRO HDy A 76 LYS HGx 1.0 . 4.97 1715 1398 A 72 PRO HGy A 75 LEU H 1.0 . 3.86 1716 1399 A 75 LEU HA A 72 PRO HGy 1.0 . 5.75 1717 1400 A 75 LEU HBx A 72 PRO HGy 1.0 . 3.94 1718 1401 A 75 LEU HBy A 72 PRO HGy 1.0 . 4.79 1719 1402 A 75 LEU HG A 72 PRO HGy 1.0 . 3.99 1720 1403 A 75 LEU HDx% A 72 PRO HGy 1.0 . 3.41 1721 1404 A 75 LEU HDy% A 72 PRO HGy 1.0 . 4.53 1722 1405 A 72 PRO HGx A 74 HIS HBx 1.0 . 5.75 1723 1405 A 72 PRO HGx A 74 HIS HBy 1.0 . 5.75 1724 1406 A 72 PRO HGx A 75 LEU H 1.0 . 4.88 1725 1407 A 75 LEU HBx A 72 PRO HGx 1.0 . 4.60 1726 1408 A 75 LEU HG A 72 PRO HGx 1.0 . 4.50 1727 1409 A 75 LEU HDx% A 72 PRO HGx 1.0 . 3.89 1728 1410 A 73 PRO HDx A 72 PRO HBy 1.0 . 3.34 1729 1410 A 72 PRO HBx A 73 PRO HDx 1.0 . 3.34 1730 1411 A 73 PRO HDy A 72 PRO HBy 1.0 . 3.49 1731 1411 A 72 PRO HBx A 73 PRO HDy 1.0 . 3.49 1732 1412 A 75 LEU H A 72 PRO HBy 1.0 . 4.93 1733 1412 A 72 PRO HBx A 75 LEU H 1.0 . 4.93 1734 1413 A 75 LEU HBx A 72 PRO HBy 1.0 . 5.34 1735 1413 A 75 LEU HBx A 72 PRO HBx 1.0 . 5.34 1736 1414 A 73 PRO HA A 76 LYS HBx 1.0 . 3.51 1737 1415 A 73 PRO HA A 76 LYS HBy 1.0 . 4.72 1738 1416 A 73 PRO HA A 76 LYS HEx 1.0 . 4.95 1739 1417 A 73 PRO HA A 76 LYS HEy 1.0 . 4.95 1740 1418 A 76 LYS HGy A 73 PRO HA 1.0 . 4.95 1741 1419 A 76 LYS HGx A 73 PRO HA 1.0 . 4.38 1742 1420 A 73 PRO HA A 76 LYS HDx 1.0 . 3.64 1743 1420 A 76 LYS HDy A 73 PRO HA 1.0 . 3.64 1744 1421 A 73 PRO HA A 76 LYS HEy 1.0 . 4.34 1745 1421 A 73 PRO HA A 76 LYS HEx 1.0 . 4.34 1746 1422 A 73 PRO HBx A 76 LYS HDx 1.0 . 4.78 1747 1422 A 73 PRO HBx A 76 LYS HDy 1.0 . 4.78 1748 1423 A 73 PRO HDy A 76 LYS HDx 1.0 . 4.20 1749 1423 A 73 PRO HDy A 76 LYS HDy 1.0 . 4.20 1750 1424 A 74 HIS HA A 74 HIS HBx 1.0 . 2.87 1751 1424 A 74 HIS HBy A 74 HIS HA 1.0 . 2.87 1752 1425 A 75 LEU HA A 74 HIS HA 1.0 . 5.35 1753 1426 A 75 LEU HDy% A 74 HIS HA 1.0 . 5.75 1754 1427 A 74 HIS HA A 77 THR H 1.0 . 4.55 1755 1428 A 75 LEU H A 74 HIS HBx 1.0 . 3.75 1756 1428 A 74 HIS HBy A 75 LEU H 1.0 . 3.75 1757 1429 A 75 LEU HBx A 74 HIS HBx 1.0 . 5.11 1758 1429 A 75 LEU HBx A 74 HIS HBy 1.0 . 5.11 1759 1430 A 75 LEU HDy% A 74 HIS HBx 1.0 . 5.16 1760 1430 A 75 LEU HDy% A 74 HIS HBy 1.0 . 5.16 1761 1431 A 75 LEU HBx A 75 LEU H 1.0 . 3.85 1762 1432 A 75 LEU HBy A 75 LEU H 1.0 . 3.93 1763 1433 A 75 LEU HG A 75 LEU H 1.0 . 3.79 1764 1434 A 75 LEU HDx% A 75 LEU H 1.0 . 4.23 1765 1435 A 75 LEU HDy% A 75 LEU H 1.0 . 3.91 1766 1436 A 76 LYS H A 75 LEU H 1.0 . 3.32 1767 1437 A 75 LEU H A 76 LYS HA 1.0 . 5.75 1768 1438 A 75 LEU H A 77 THR H 1.0 . 4.81 1769 1439 A 75 LEU HA A 75 LEU HG 1.0 . 4.17 1770 1440 A 75 LEU HDx% A 75 LEU HA 1.0 . 4.01 1771 1441 A 75 LEU HDy% A 75 LEU HA 1.0 . 2.85 1772 1442 A 75 LEU HA A 76 LYS HA 1.0 . 4.97 1773 1443 A 75 LEU HA A 78 GLN HBx 1.0 . 3.29 1774 1443 A 75 LEU HA A 78 GLN HBy 1.0 . 3.29 1775 1444 A 75 LEU HA A 79 LEU H 1.0 . 4.44 1776 1445 A 79 LEU HG A 75 LEU HA 1.0 . 5.16 1777 1446 A 79 LEU HDy% A 75 LEU HA 1.0 . 5.75 1778 1447 A 75 LEU HDx% A 75 LEU HBx 1.0 . 3.25 1779 1448 A 75 LEU HDy% A 75 LEU HBx 1.0 . 3.58 1780 1449 A 75 LEU HBx A 76 LYS H 1.0 . 4.25 1781 1450 A 75 LEU HBx A 76 LYS HA 1.0 . 5.40 1782 1451 A 75 LEU HBx A 78 GLN HBx 1.0 . 4.77 1783 1451 A 75 LEU HBx A 78 GLN HBy 1.0 . 4.77 1784 1452 A 79 LEU HDy% A 75 LEU HBx 1.0 . 5.75 1785 1453 A 75 LEU HDx% A 75 LEU HBy 1.0 . 3.09 1786 1454 A 75 LEU HDy% A 75 LEU HBy 1.0 . 3.32 1787 1455 A 75 LEU HBy A 76 LYS H 1.0 . 4.71 1788 1456 A 75 LEU HBy A 76 LYS HA 1.0 . 5.75 1789 1457 A 75 LEU HBy A 78 GLN HBx 1.0 . 4.62 1790 1457 A 75 LEU HBy A 78 GLN HBy 1.0 . 4.62 1791 1458 A 75 LEU HBy A 78 GLN HGx 1.0 . 5.34 1792 1458 A 75 LEU HBy A 78 GLN HGy 1.0 . 5.34 1793 1459 A 79 LEU HDy% A 75 LEU HBy 1.0 . 4.69 1794 1460 A 75 LEU HG A 76 LYS H 1.0 . 4.77 1795 1461 A 75 LEU HG A 78 GLN HGx 1.0 . 5.34 1796 1461 A 75 LEU HG A 78 GLN HGy 1.0 . 5.34 1797 1462 A 75 LEU HDx% A 78 GLN HBx 1.0 . 4.89 1798 1462 A 75 LEU HDx% A 78 GLN HBy 1.0 . 4.89 1799 1463 A 75 LEU HDy% A 78 GLN H 1.0 . 5.15 1800 1464 A 75 LEU HDy% A 78 GLN HBx 1.0 . 3.52 1801 1464 A 75 LEU HDy% A 78 GLN HBy 1.0 . 3.52 1802 1465 A 75 LEU HDy% A 78 GLN HGx 1.0 . 4.47 1803 1465 A 75 LEU HDy% A 78 GLN HGy 1.0 . 4.47 1804 1466 A 75 LEU HDy% A 79 LEU H 1.0 . 5.28 1805 1467 A 76 LYS H A 76 LYS HBx 1.0 . 3.64 1806 1468 A 76 LYS H A 76 LYS HBy 1.0 . 3.66 1807 1469 A 76 LYS H A 76 LYS HGx 1.0 . 4.15 1808 1470 A 79 LEU HDx% A 76 LYS H 1.0 . 5.75 1809 1471 A 76 LYS HGy A 76 LYS HA 1.0 . 3.79 1810 1472 A 76 LYS HGx A 76 LYS HA 1.0 . 3.74 1811 1473 A 76 LYS HA A 76 LYS HDx 1.0 . 4.11 1812 1473 A 76 LYS HDy A 76 LYS HA 1.0 . 4.11 1813 1474 A 79 LEU H A 76 LYS HA 1.0 . 4.27 1814 1475 A 76 LYS HA A 79 LEU HBy 1.0 . 4.33 1815 1476 A 79 LEU HBx A 76 LYS HA 1.0 . 4.33 1816 1477 A 79 LEU HG A 76 LYS HA 1.0 . 4.12 1817 1478 A 76 LYS HA A 79 LEU HBy 1.0 . 3.70 1818 1478 A 79 LEU HBx A 76 LYS HA 1.0 . 3.70 1819 1479 A 79 LEU HDx% A 76 LYS HA 1.0 . 4.57 1820 1480 A 79 LEU HDy% A 76 LYS HA 1.0 . 5.23 1821 1481 A 76 LYS HA A 80 GLU HGx 1.0 . 5.34 1822 1481 A 76 LYS HA A 80 GLU HGy 1.0 . 5.34 1823 1482 A 76 LYS HBx A 76 LYS HDx 1.0 . 3.51 1824 1482 A 76 LYS HDy A 76 LYS HBx 1.0 . 3.51 1825 1483 A 76 LYS HBx A 76 LYS HEy 1.0 . 4.53 1826 1483 A 76 LYS HBx A 76 LYS HEx 1.0 . 4.53 1827 1484 A 76 LYS HBx A 77 THR H 1.0 . 3.79 1828 1485 A 76 LYS HBx A 77 THR HA 1.0 . 5.31 1829 1486 A 76 LYS HBy A 76 LYS HEx 1.0 . 5.14 1830 1487 A 76 LYS HBy A 76 LYS HEy 1.0 . 5.14 1831 1488 A 76 LYS HBy A 77 THR H 1.0 . 3.87 1832 1489 A 76 LYS HBy A 77 THR HA 1.0 . 5.33 1833 1490 A 76 LYS HBy A 80 GLU HBx 1.0 . 5.49 1834 1491 A 76 LYS HBy A 80 GLU HGx 1.0 . 5.02 1835 1491 A 76 LYS HBy A 80 GLU HGy 1.0 . 5.02 1836 1492 A 76 LYS HGy A 76 LYS HEy 1.0 . 3.64 1837 1492 A 76 LYS HGy A 76 LYS HEx 1.0 . 3.64 1838 1493 A 76 LYS HGy A 79 LEU HBy 1.0 . 5.34 1839 1493 A 79 LEU HBx A 76 LYS HGy 1.0 . 5.34 1840 1494 A 76 LYS HGx A 76 LYS HEx 1.0 . 4.21 1841 1495 A 76 LYS HGx A 76 LYS HEy 1.0 . 4.21 1842 1496 A 76 LYS HGx A 76 LYS HEy 1.0 . 3.49 1843 1496 A 76 LYS HGx A 76 LYS HEx 1.0 . 3.49 1844 1497 A 79 LEU HG A 76 LYS HGx 1.0 . 5.75 1845 1498 A 76 LYS HGx A 79 LEU HBy 1.0 . 5.34 1846 1498 A 79 LEU HBx A 76 LYS HGx 1.0 . 5.34 1847 1499 A 77 THR H A 77 THR HB 1.0 . 3.32 1848 1500 A 77 THR H A 77 THR HG2% 1.0 . 3.75 1849 1501 A 78 GLN H A 77 THR H 1.0 . 3.67 1850 1502 A 77 THR H A 78 GLN HBx 1.0 . 4.74 1851 1502 A 78 GLN HBy A 77 THR H 1.0 . 4.74 1852 1503 A 77 THR HA A 77 THR HG2% 1.0 . 2.93 1853 1504 A 77 THR HA A 80 GLU H 1.0 . 4.50 1854 1505 A 77 THR HA A 80 GLU HGx 1.0 . 4.25 1855 1505 A 80 GLU HGy A 77 THR HA 1.0 . 4.25 1856 1506 A 77 THR HA A 81 ILE HB 1.0 . 5.75 1857 1507 A 77 THR HA A 81 ILE HG1x 1.0 . 4.70 1858 1508 A 78 GLN H A 77 THR HB 1.0 . 3.55 1859 1509 A 77 THR HB A 78 GLN HBx 1.0 . 4.58 1860 1509 A 78 GLN HBy A 77 THR HB 1.0 . 4.58 1861 1510 A 77 THR HB A 81 ILE HD11 1.0 . 4.41 1862 1511 A 78 GLN H A 77 THR HG2% 1.0 . 4.01 1863 1512 A 77 THR HG2% A 78 GLN HA 1.0 . 4.24 1864 1513 A 77 THR HG2% A 81 ILE HB 1.0 . 4.36 1865 1514 A 77 THR HG2% A 81 ILE HD11 1.0 . 3.12 1866 1515 A 78 GLN H A 78 GLN HBx 1.0 . 3.07 1867 1515 A 78 GLN HBy A 78 GLN H 1.0 . 3.07 1868 1516 A 78 GLN H A 78 GLN HGx 1.0 . 4.06 1869 1516 A 78 GLN H A 78 GLN HGy 1.0 . 4.06 1870 1517 A 78 GLN H A 79 LEU H 1.0 . 3.65 1871 1518 A 79 LEU HDy% A 78 GLN H 1.0 . 5.31 1872 1519 A 78 GLN H A 80 GLU H 1.0 . 4.88 1873 1520 A 78 GLN HA A 78 GLN HBx 1.0 . 3.02 1874 1520 A 78 GLN HBy A 78 GLN HA 1.0 . 3.02 1875 1521 A 78 GLN HA A 78 GLN HGx 1.0 . 3.51 1876 1521 A 78 GLN HGy A 78 GLN HA 1.0 . 3.51 1877 1522 A 81 ILE HB A 78 GLN HA 1.0 . 3.57 1878 1523 A 81 ILE HD11 A 78 GLN HA 1.0 . 3.50 1879 1524 A 78 GLN HA A 81 ILE HG2% 1.0 . 4.07 1880 1525 A 79 LEU H A 78 GLN HBx 1.0 . 3.52 1881 1525 A 78 GLN HBy A 79 LEU H 1.0 . 3.52 1882 1526 A 79 LEU HA A 78 GLN HBx 1.0 . 4.57 1883 1526 A 79 LEU HA A 78 GLN HBy 1.0 . 4.57 1884 1527 A 79 LEU HG A 78 GLN HBx 1.0 . 4.82 1885 1527 A 79 LEU HG A 78 GLN HBy 1.0 . 4.82 1886 1528 A 79 LEU HDy% A 78 GLN HBx 1.0 . 4.65 1887 1528 A 79 LEU HDy% A 78 GLN HBy 1.0 . 4.65 1888 1529 A 81 ILE HB A 78 GLN HBx 1.0 . 4.71 1889 1529 A 78 GLN HBy A 81 ILE HB 1.0 . 4.71 1890 1530 A 79 LEU H A 79 LEU HBy 1.0 . 3.75 1891 1531 A 79 LEU HBx A 79 LEU H 1.0 . 3.75 1892 1532 A 79 LEU HG A 79 LEU H 1.0 . 3.40 1893 1533 A 79 LEU HDx% A 79 LEU H 1.0 . 5.06 1894 1534 A 79 LEU HDy% A 79 LEU H 1.0 . 3.86 1895 1535 A 79 LEU H A 80 GLU H 1.0 . 3.69 1896 1536 A 79 LEU HA A 79 LEU HG 1.0 . 3.82 1897 1537 A 79 LEU HA A 79 LEU HDx% 1.0 . 3.83 1898 1538 A 79 LEU HA A 79 LEU HDy% 1.0 . 3.05 1899 1539 A 79 LEU HA A 82 ASN H 1.0 . 4.47 1900 1540 A 79 LEU HA A 82 ASN HBy 1.0 . 3.75 1901 1540 A 82 ASN HBx A 79 LEU HA 1.0 . 3.75 1902 1541 A 79 LEU HDx% A 79 LEU HBy 1.0 . 3.41 1903 1542 A 79 LEU HDy% A 79 LEU HBy 1.0 . 3.57 1904 1543 A 80 GLU HA A 79 LEU HBy 1.0 . 5.75 1905 1544 A 79 LEU HDx% A 79 LEU HBx 1.0 . 3.41 1906 1545 A 79 LEU HDy% A 79 LEU HBx 1.0 . 3.57 1907 1546 A 80 GLU HA A 79 LEU HBx 1.0 . 5.75 1908 1547 A 79 LEU HG A 80 GLU H 1.0 . 4.58 1909 1548 A 79 LEU HDx% A 79 LEU HBy 1.0 . 2.96 1910 1548 A 79 LEU HDx% A 79 LEU HBx 1.0 . 2.96 1911 1549 A 79 LEU HDy% A 79 LEU HBy 1.0 . 3.08 1912 1549 A 79 LEU HDy% A 79 LEU HBx 1.0 . 3.08 1913 1550 A 80 GLU H A 79 LEU HBy 1.0 . 3.19 1914 1550 A 79 LEU HBx A 80 GLU H 1.0 . 3.19 1915 1551 A 80 GLU HA A 79 LEU HBy 1.0 . 4.74 1916 1551 A 80 GLU HA A 79 LEU HBx 1.0 . 4.74 1917 1552 A 79 LEU HBx A 80 GLU HGx 1.0 . 5.18 1918 1552 A 79 LEU HBy A 80 GLU HGx 1.0 . 5.18 1919 1552 A 80 GLU HGy A 79 LEU HBy 1.0 . 5.18 1920 1552 A 79 LEU HBx A 80 GLU HGy 1.0 . 5.18 1921 1553 A 79 LEU HDx% A 80 GLU H 1.0 . 4.76 1922 1554 A 79 LEU HDy% A 80 GLU H 1.0 . 4.70 1923 1555 A 82 ASN HBx A 79 LEU HDy% 1.0 . 5.34 1924 1556 A 79 LEU HDy% A 82 ASN HBy 1.0 . 5.34 1925 1557 A 79 LEU HDy% A 82 ASN HBy 1.0 . 4.50 1926 1557 A 82 ASN HBx A 79 LEU HDy% 1.0 . 4.50 1927 1558 A 80 GLU HBx A 80 GLU H 1.0 . 3.23 1928 1559 A 80 GLU H A 80 GLU HGx 1.0 . 3.59 1929 1559 A 80 GLU HGy A 80 GLU H 1.0 . 3.59 1930 1560 A 80 GLU H A 81 ILE H 1.0 . 3.74 1931 1561 A 80 GLU HA A 80 GLU HGx 1.0 . 3.60 1932 1561 A 80 GLU HA A 80 GLU HGy 1.0 . 3.60 1933 1562 A 81 ILE H A 80 GLU HBy 1.0 . 4.10 1934 1563 A 81 ILE HG1x A 80 GLU HBy 1.0 . 5.75 1935 1564 A 80 GLU HBx A 81 ILE H 1.0 . 4.26 1936 1565 A 81 ILE HD11 A 80 GLU HGx 1.0 . 4.63 1937 1565 A 80 GLU HGy A 81 ILE HD11 1.0 . 4.63 1938 1566 A 81 ILE HB A 81 ILE H 1.0 . 3.22 1939 1567 A 81 ILE H A 81 ILE HG1y 1.0 . 3.95 1940 1568 A 81 ILE HG1x A 81 ILE H 1.0 . 4.42 1941 1569 A 81 ILE HD11 A 81 ILE H 1.0 . 5.00 1942 1570 A 81 ILE HG2% A 81 ILE H 1.0 . 4.67 1943 1571 A 82 ASN H A 81 ILE H 1.0 . 3.69 1944 1572 A 81 ILE HG1y A 81 ILE HA 1.0 . 3.56 1945 1573 A 81 ILE HG1x A 81 ILE HA 1.0 . 3.66 1946 1574 A 81 ILE HD11 A 81 ILE HA 1.0 . 3.99 1947 1575 A 81 ILE HG2% A 81 ILE HA 1.0 . 3.16 1948 1576 A 81 ILE HA A 84 ARG HGy 1.0 . 5.22 1949 1577 A 81 ILE HA A 84 ARG HGx 1.0 . 5.22 1950 1578 A 81 ILE HA A 84 ARG HBx 1.0 . 4.02 1951 1578 A 81 ILE HA A 84 ARG HBy 1.0 . 4.02 1952 1579 A 81 ILE HA A 84 ARG HDx 1.0 . 4.73 1953 1579 A 81 ILE HA A 84 ARG HDy 1.0 . 4.73 1954 1580 A 81 ILE HA A 84 ARG HGy 1.0 . 4.50 1955 1580 A 81 ILE HA A 84 ARG HGx 1.0 . 4.50 1956 1581 A 81 ILE HB A 81 ILE HD11 1.0 . 3.01 1957 1582 A 81 ILE HB A 82 ASN H 1.0 . 3.76 1958 1583 A 81 ILE HB A 82 ASN HA 1.0 . 5.33 1959 1584 A 81 ILE HG1x A 82 ASN H 1.0 . 4.81 1960 1585 A 81 ILE HD11 A 84 ARG HBx 1.0 . 5.75 1961 1585 A 81 ILE HD11 A 84 ARG HBy 1.0 . 5.75 1962 1586 A 81 ILE HG2% A 81 ILE HG1y 1.0 . 3.27 1963 1587 A 81 ILE HG1x A 81 ILE HG2% 1.0 . 3.44 1964 1588 A 81 ILE HG2% A 82 ASN H 1.0 . 4.02 1965 1589 A 81 ILE HG2% A 82 ASN HA 1.0 . 3.94 1966 1590 A 81 ILE HG2% A 82 ASN HBy 1.0 . 5.34 1967 1590 A 82 ASN HBx A 81 ILE HG2% 1.0 . 5.34 1968 1591 A 81 ILE HG2% A 84 ARG HBx 1.0 . 4.67 1969 1591 A 81 ILE HG2% A 84 ARG HBy 1.0 . 4.67 1970 1592 A 81 ILE HG2% A 85 ASN HBx 1.0 . 5.30 1971 1592 A 81 ILE HG2% A 85 ASN HBy 1.0 . 5.30 1972 1593 A 82 ASN HBx A 82 ASN H 1.0 . 3.99 1973 1594 A 82 ASN H A 82 ASN HBy 1.0 . 3.99 1974 1595 A 82 ASN H A 82 ASN HBy 1.0 . 3.45 1975 1595 A 82 ASN HBx A 82 ASN H 1.0 . 3.45 1976 1596 A 83 GLY HAy A 82 ASN HA 1.0 . 5.75 1977 1597 A 83 GLY HAx A 82 ASN HA 1.0 . 5.75 1978 1598 A 82 ASN HA A 85 ASN HBx 1.0 . 3.54 1979 1598 A 82 ASN HA A 85 ASN HBy 1.0 . 3.54 1980 1599 A 83 GLY H A 84 ARG H 1.0 . 4.92 1981 1600 A 83 GLY HAy A 84 ARG HBx 1.0 . 5.75 1982 1600 A 83 GLY HAy A 84 ARG HBy 1.0 . 5.75 1983 1601 A 83 GLY HAy A 86 ASN HBy 1.0 . 5.75 1984 1602 A 83 GLY HAy A 86 ASN HBx 1.0 . 5.75 1985 1603 A 83 GLY HAy A 86 ASN HBx 1.0 . 4.75 1986 1603 A 83 GLY HAy A 86 ASN HBy 1.0 . 4.75 1987 1604 A 83 GLY HAy A 87 LEU HBx 1.0 . 5.34 1988 1604 A 83 GLY HAy A 87 LEU HBy 1.0 . 5.34 1989 1605 A 83 GLY HAx A 84 ARG HBx 1.0 . 5.75 1990 1605 A 83 GLY HAx A 84 ARG HBy 1.0 . 5.75 1991 1606 A 83 GLY HAx A 84 ARG HGy 1.0 . 5.34 1992 1606 A 83 GLY HAx A 84 ARG HGx 1.0 . 5.34 1993 1607 A 83 GLY HAx A 86 ASN HBx 1.0 . 5.30 1994 1607 A 83 GLY HAx A 86 ASN HBy 1.0 . 5.30 1995 1608 A 83 GLY HAx A 87 LEU HBx 1.0 . 5.34 1996 1608 A 83 GLY HAx A 87 LEU HBy 1.0 . 5.34 1997 1609 A 84 ARG H A 84 ARG HGy 1.0 . 4.51 1998 1610 A 84 ARG HGx A 84 ARG H 1.0 . 4.51 1999 1611 A 84 ARG H A 84 ARG HBx 1.0 . 3.45 2000 1611 A 84 ARG HBy A 84 ARG H 1.0 . 3.45 2001 1612 A 84 ARG H A 84 ARG HDx 1.0 . 4.97 2002 1612 A 84 ARG HDy A 84 ARG H 1.0 . 4.97 2003 1613 A 84 ARG H A 84 ARG HGy 1.0 . 3.88 2004 1613 A 84 ARG HGx A 84 ARG H 1.0 . 3.88 2005 1614 A 84 ARG HA A 84 ARG HGy 1.0 . 3.66 2006 1615 A 84 ARG HGx A 84 ARG HA 1.0 . 3.66 2007 1616 A 84 ARG HA A 84 ARG HBx 1.0 . 2.97 2008 1616 A 84 ARG HBy A 84 ARG HA 1.0 . 2.97 2009 1617 A 84 ARG HA A 84 ARG HDx 1.0 . 4.23 2010 1617 A 84 ARG HDy A 84 ARG HA 1.0 . 4.23 2011 1618 A 84 ARG HA A 87 LEU HBx 1.0 . 4.44 2012 1619 A 87 LEU HBy A 84 ARG HA 1.0 . 4.44 2013 1620 A 84 ARG HA A 87 LEU HBx 1.0 . 3.75 2014 1620 A 87 LEU HBy A 84 ARG HA 1.0 . 3.75 2015 1621 A 84 ARG HA A 87 LEU HDy% 1.0 . 3.68 2016 1621 A 84 ARG HA A 87 LEU HDx% 1.0 . 3.68 2017 1622 A 84 ARG HBx A 84 ARG HDx 1.0 . 3.79 2018 1622 A 84 ARG HBy A 84 ARG HDx 1.0 . 3.79 2019 1622 A 84 ARG HDy A 84 ARG HBx 1.0 . 3.79 2020 1622 A 84 ARG HBy A 84 ARG HDy 1.0 . 3.79 2021 1623 A 85 ASN H A 84 ARG HBx 1.0 . 5.10 2022 1623 A 84 ARG HBy A 85 ASN H 1.0 . 5.10 2023 1624 A 85 ASN HA A 84 ARG HBx 1.0 . 4.22 2024 1624 A 84 ARG HBy A 85 ASN HA 1.0 . 4.22 2025 1625 A 86 ASN HA A 87 LEU H 1.0 . 3.65 2026 1626 A 86 ASN HA A 88 ILE H 1.0 . 4.45 2027 1627 A 86 ASN HA A 88 ILE HD1% 1.0 . 4.60 2028 1628 A 86 ASN HA A 88 ILE HG1x 1.0 . 4.32 2029 1628 A 86 ASN HA A 88 ILE HG1y 1.0 . 4.32 2030 1629 A 86 ASN HBy A 87 LEU H 1.0 . 4.67 2031 1630 A 87 LEU H A 86 ASN HBx 1.0 . 4.67 2032 1631 A 86 ASN HBx A 87 LEU HBx 1.0 . 4.66 2033 1631 A 86 ASN HBy A 87 LEU HBx 1.0 . 4.66 2034 1631 A 87 LEU HBy A 86 ASN HBx 1.0 . 4.66 2035 1631 A 86 ASN HBy A 87 LEU HBy 1.0 . 4.66 2036 1632 A 86 ASN HBx A 87 LEU HDy% 1.0 . 4.85 2037 1632 A 86 ASN HBy A 87 LEU HDy% 1.0 . 4.85 2038 1632 A 87 LEU HDx% A 86 ASN HBx 1.0 . 4.85 2039 1632 A 86 ASN HBy A 87 LEU HDx% 1.0 . 4.85 2040 1633 A 88 ILE HD1% A 86 ASN HBx 1.0 . 5.34 2041 1633 A 86 ASN HBy A 88 ILE HD1% 1.0 . 5.34 2042 1634 A 87 LEU H A 87 LEU HBx 1.0 . 3.91 2043 1635 A 87 LEU HBy A 87 LEU H 1.0 . 3.91 2044 1636 A 87 LEU H A 87 LEU HBx 1.0 . 3.31 2045 1636 A 87 LEU HBy A 87 LEU H 1.0 . 3.31 2046 1637 A 87 LEU HDx% A 87 LEU H 1.0 . 5.46 2047 1638 A 87 LEU H A 87 LEU HDy% 1.0 . 5.46 2048 1639 A 87 LEU H A 87 LEU HDy% 1.0 . 4.77 2049 1639 A 87 LEU HDx% A 87 LEU H 1.0 . 4.77 2050 1640 A 87 LEU HA A 87 LEU HG 1.0 . 3.58 2051 1641 A 87 LEU HDx% A 87 LEU HA 1.0 . 4.02 2052 1642 A 87 LEU HA A 87 LEU HDy% 1.0 . 4.02 2053 1643 A 87 LEU HA A 87 LEU HDy% 1.0 . 2.95 2054 1643 A 87 LEU HDx% A 87 LEU HA 1.0 . 2.95 2055 1644 A 88 ILE H A 87 LEU HG 1.0 . 5.75 2056 1645 A 87 LEU HBx A 87 LEU HDy% 1.0 . 2.84 2057 1645 A 87 LEU HBy A 87 LEU HDy% 1.0 . 2.84 2058 1645 A 87 LEU HDx% A 87 LEU HBx 1.0 . 2.84 2059 1645 A 87 LEU HBy A 87 LEU HDx% 1.0 . 2.84 2060 1646 A 88 ILE H A 87 LEU HBx 1.0 . 5.09 2061 1646 A 87 LEU HBy A 88 ILE H 1.0 . 5.09 2062 1647 A 88 ILE H A 88 ILE HG1y 1.0 . 3.95 2063 1648 A 88 ILE H A 88 ILE HG1x 1.0 . 3.95 2064 1649 A 88 ILE H A 88 ILE HG1x 1.0 . 3.46 2065 1649 A 88 ILE H A 88 ILE HG1y 1.0 . 3.46 2066 1650 A 88 ILE H A 88 ILE HG2% 1.0 . 4.12 2067 1651 A 88 ILE H A 89 GLN H 1.0 . 4.49 2068 1652 A 88 ILE HG1y A 88 ILE HA 1.0 . 4.01 2069 1653 A 88 ILE HA A 88 ILE HG1x 1.0 . 4.01 2070 1654 A 88 ILE HD1% A 88 ILE HA 1.0 . 4.55 2071 1655 A 88 ILE HA A 88 ILE HG1x 1.0 . 3.45 2072 1655 A 88 ILE HG1y A 88 ILE HA 1.0 . 3.45 2073 1656 A 88 ILE HG2% A 88 ILE HA 1.0 . 3.52 2074 1657 A 88 ILE HD1% A 88 ILE HB 1.0 . 3.42 2075 1658 A 88 ILE HG1y A 88 ILE HG2% 1.0 . 3.85 2076 1659 A 88 ILE HG2% A 88 ILE HG1x 1.0 . 3.85 2077 1660 A 88 ILE HG2% A 88 ILE HG1x 1.0 . 3.37 2078 1660 A 88 ILE HG1y A 88 ILE HG2% 1.0 . 3.37 2079 1661 A 91 LYS HDx A 91 LYS HGx 1.0 . 3.05 2080 1661 A 91 LYS HDy A 91 LYS HGx 1.0 . 3.05 2081 1661 A 91 LYS HGy A 91 LYS HDx 1.0 . 3.05 2082 1661 A 91 LYS HGy A 91 LYS HDy 1.0 . 3.05 stop_ save_ save_DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 MET C A 2 ALA N A 2 ALA CA A 2 ALA C 1.0 -180.0 0.0 PHI 2 2 A 2 ALA C A 3 VAL N A 3 VAL CA A 3 VAL C 1.0 -180.0 0.0 PHI 3 3 A 3 VAL C A 4 SER N A 4 SER CA A 4 SER C 1.0 -180.0 0.0 PHI 4 4 A 4 SER C A 5 VAL N A 5 VAL CA A 5 VAL C 1.0 -180.0 0.0 PHI 5 5 A 5 VAL C A 6 THR N A 6 THR CA A 6 THR C 1.0 -180.0 0.0 PHI 6 6 A 7 PRO C A 8 ILE N A 8 ILE CA A 8 ILE C 1.0 -180.0 0.0 PHI 7 7 A 8 ILE C A 9 ARG N A 9 ARG CA A 9 ARG C 1.0 -180.0 0.0 PHI 8 8 A 9 ARG C A 10 ASP N A 10 ASP CA A 10 ASP C 1.0 -180.0 0.0 PHI 9 9 A 10 ASP C A 11 THR N A 11 THR CA A 11 THR C 1.0 -180.0 0.0 PHI 10 10 A 11 THR C A 12 LYS N A 12 LYS CA A 12 LYS C 1.0 -180.0 0.0 PHI 11 11 A 15 THR C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -166.0 -76.0 PHI 12 12 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 GLU N 1.0 96.0 186.0 PSI 13 13 A 16 LEU C A 17 GLU N A 17 GLU CA A 17 GLU C 1.0 -140.0 -50.0 PHI 14 14 A 17 GLU N A 17 GLU CA A 17 GLU C A 18 VAL N 1.0 99.0 179.0 PSI 15 15 A 17 GLU C A 18 VAL N A 18 VAL CA A 18 VAL C 1.0 -130.0 -40.0 PHI 16 16 A 18 VAL N A 18 VAL CA A 18 VAL C A 19 CYS N 1.0 77.0 167.0 PSI 17 17 A 19 CYS C A 20 ARG N A 20 ARG CA A 20 ARG C 1.0 -109.0 -19.0 PHI 18 18 A 20 ARG N A 20 ARG CA A 20 ARG C A 21 GLU N 1.0 -88.0 2.0 PSI 19 19 A 20 ARG C A 21 GLU N A 21 GLU CA A 21 GLU C 1.0 -110.0 -20.0 PHI 20 20 A 21 GLU N A 21 GLU CA A 21 GLU C A 22 PHE N 1.0 -84.0 6.0 PSI 21 21 A 21 GLU C A 22 PHE N A 22 PHE CA A 22 PHE C 1.0 -109.0 -19.0 PHI 22 22 A 22 PHE N A 22 PHE CA A 22 PHE C A 23 GLN N 1.0 -87.0 3.0 PSI 23 23 A 22 PHE C A 23 GLN N A 23 GLN CA A 23 GLN C 1.0 -108.0 -18.0 PHI 24 24 A 23 GLN N A 23 GLN CA A 23 GLN C A 24 ARG N 1.0 -84.0 6.0 PSI 25 25 A 27 CYS C A 28 SER N A 28 SER CA A 28 SER C 1.0 -180.0 0.0 PHI 26 26 A 41 LYS C A 42 SER N A 42 SER CA A 42 SER C 1.0 -109.0 -19.0 PHI 27 27 A 42 SER N A 42 SER CA A 42 SER C A 43 CYS N 1.0 -82.0 2.0 PSI 28 28 A 44 GLN C A 45 VAL N A 45 VAL CA A 45 VAL C 1.0 -153.0 -63.0 PHI 29 29 A 45 VAL N A 45 VAL CA A 45 VAL C A 46 GLU N 1.0 87.0 177.0 PSI 30 30 A 45 VAL C A 46 GLU N A 46 GLU CA A 46 GLU C 1.0 -153.0 -63.0 PHI 31 31 A 46 GLU N A 46 GLU CA A 46 GLU C A 47 ASN N 1.0 87.0 177.0 PSI 32 32 A 48 GLY C A 49 ARG N A 49 ARG CA A 49 ARG C 1.0 -176.0 -86.0 PHI 33 33 A 49 ARG N A 49 ARG CA A 49 ARG C A 50 VAL N 1.0 100.0 190.0 PSI 34 34 A 49 ARG C A 50 VAL N A 50 VAL CA A 50 VAL C 1.0 -179.0 -89.0 PHI 35 35 A 50 VAL N A 50 VAL CA A 50 VAL C A 51 ILE N 1.0 100.0 190.0 PSI 36 36 A 50 VAL C A 51 ILE N A 51 ILE CA A 51 ILE C 1.0 -141.0 -51.0 PHI 37 37 A 51 ILE N A 51 ILE CA A 51 ILE C A 52 ALA N 1.0 82.0 172.0 PSI 38 38 A 53 CYS C A 54 PHE N A 54 PHE CA A 54 PHE C 1.0 -109.0 -19.0 PHI 39 39 A 54 PHE N A 54 PHE CA A 54 PHE C A 55 ASP N 1.0 -90.0 0.0 PSI 40 40 A 54 PHE C A 55 ASP N A 55 ASP CA A 55 ASP C 1.0 -108.0 -18.0 PHI 41 41 A 55 ASP N A 55 ASP CA A 55 ASP C A 56 SER N 1.0 -88.0 2.0 PSI 42 42 A 55 ASP C A 56 SER N A 56 SER CA A 56 SER C 1.0 -111.0 -21.0 PHI 43 43 A 56 SER N A 56 SER CA A 56 SER C A 57 LEU N 1.0 -84.0 6.0 PSI 44 44 A 56 SER C A 57 LEU N A 57 LEU CA A 57 LEU C 1.0 -111.0 -21.0 PHI 45 45 A 57 LEU N A 57 LEU CA A 57 LEU C A 58 LYS N 1.0 -88.0 2.0 PSI 46 46 A 62 SER C A 63 ARG N A 63 ARG CA A 63 ARG C 1.0 -180.0 0.0 PHI 47 47 A 63 ARG C A 64 GLU N A 64 GLU CA A 64 GLU C 1.0 -180.0 0.0 PHI 48 48 A 64 GLU C A 65 ASN N A 65 ASN CA A 65 ASN C 1.0 -180.0 0.0 PHI 49 49 A 69 LEU C A 70 HIS N A 70 HIS CA A 70 HIS C 1.0 -151.0 -61.0 PHI 50 50 A 70 HIS N A 70 HIS CA A 70 HIS C A 71 PRO N 1.0 79.0 169.0 PSI 51 51 A 75 LEU C A 76 LYS N A 76 LYS CA A 76 LYS C 1.0 -109.0 -19.0 PHI 52 52 A 76 LYS N A 76 LYS CA A 76 LYS C A 77 THR N 1.0 -87.0 3.0 PSI 53 53 A 76 LYS C A 77 THR N A 77 THR CA A 77 THR C 1.0 -107.0 -17.0 PHI 54 54 A 77 THR N A 77 THR CA A 77 THR C A 78 GLN N 1.0 -87.0 3.0 PSI 55 55 A 77 THR C A 78 GLN N A 78 GLN CA A 78 GLN C 1.0 -108.0 -18.0 PHI 56 56 A 78 GLN N A 78 GLN CA A 78 GLN C A 79 LEU N 1.0 -87.0 3.0 PSI 57 57 A 78 GLN C A 79 LEU N A 79 LEU CA A 79 LEU C 1.0 -109.0 -19.0 PHI 58 58 A 79 LEU N A 79 LEU CA A 79 LEU C A 80 GLU N 1.0 -83.0 7.0 PSI 59 59 A 79 LEU C A 80 GLU N A 80 GLU CA A 80 GLU C 1.0 -108.0 -18.0 PHI 60 60 A 80 GLU N A 80 GLU CA A 80 GLU C A 81 ILE N 1.0 -83.0 7.0 PSI 61 61 A 80 GLU C A 81 ILE N A 81 ILE CA A 81 ILE C 1.0 -109.0 -19.0 PHI 62 62 A 81 ILE N A 81 ILE CA A 81 ILE C A 82 ASN N 1.0 -85.0 5.0 PSI 63 63 A 81 ILE C A 82 ASN N A 82 ASN CA A 82 ASN C 1.0 -112.0 -22.0 PHI 64 64 A 82 ASN N A 82 ASN CA A 82 ASN C A 83 GLY N 1.0 -81.0 9.0 PSI 65 65 A 86 ASN C A 87 LEU N A 87 LEU CA A 87 LEU C 1.0 -180.0 0.0 PHI 66 66 A 87 LEU C A 88 ILE N A 88 ILE CA A 88 ILE C 1.0 -180.0 0.0 PHI 67 67 A 88 ILE C A 89 GLN N A 89 GLN CA A 89 GLN C 1.0 -180.0 0.0 PHI 68 68 A 89 GLN C A 90 GLN N A 90 GLN CA A 90 GLN C 1.0 -180.0 0.0 PHI 69 69 A 90 GLN C A 91 LYS N A 91 LYS CA A 91 LYS C 1.0 -180.0 0.0 PHI 70 70 A 91 LYS C A 92 ASN N A 92 ASN CA A 92 ASN C 1.0 -180.0 0.0 PHI stop_ save_