data_nef_c18700_2lxw save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_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 21 CYS SG 2 1 ZN ZN 1 40 CYS SG 2 1 ZN ZN 1 24 CYS SG 2 1 ZN ZN 1 36 HIS NE2 2 1 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 GLY start . false 2 A 2 SER middle . . 3 A 3 GLU middle . . 4 A 4 PHE middle . . 5 A 5 THR middle . . 6 A 6 SER middle . . 7 A 7 SER middle . . 8 A 8 PRO middle . false 9 A 9 ARG middle . . 10 A 10 GLY middle . false 11 A 11 ASP middle . . 12 A 12 LYS middle . . 13 A 13 ALA middle . . 14 A 14 ALA middle . . 15 A 15 TYR middle . . 16 A 16 ASP middle . . 17 A 17 ILE middle . . 18 A 18 LEU middle . . 19 A 19 ARG middle . . 20 A 20 ARG middle . . 21 A 21 CYS middle -HG . 22 A 22 SER middle . . 23 A 23 GLN middle . . 24 A 24 CYS middle -HG . 25 A 25 GLY middle . false 26 A 26 ILE middle . . 27 A 27 LEU middle . . 28 A 28 LEU middle . . 29 A 29 PRO middle . false 30 A 30 LEU middle . . 31 A 31 PRO middle . false 32 A 32 ILE middle . . 33 A 33 LEU middle . . 34 A 34 ASN middle . . 35 A 35 GLN middle . . 36 A 36 HIS middle -HE2 . 37 A 37 GLN middle . . 38 A 38 GLU middle . . 39 A 39 LYS middle . . 40 A 40 CYS middle -HG . 41 A 41 ARG middle . . 42 A 42 TRP middle . . 43 A 43 LEU middle . . 44 A 44 ALA middle . . 45 A 45 SER middle . . 46 A 46 SER middle . . 47 A 47 LYS middle . . 48 A 48 GLY middle . false 49 A 49 LYS middle . . 50 A 50 GLN middle . . 51 A 51 VAL middle . . 52 A 52 ARG middle . . 53 A 53 ASN middle . . 54 A 54 PHE middle . . 55 A 55 SER end . . 56 B 1 ZN . . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 GLY HAx H 1 3.890 0.030 A 1 GLY HAy H 1 3.890 0.030 A 1 GLY CA C 13 43.543 0.300 A 2 SER HA H 1 4.474 0.030 A 2 SER HBx H 1 3.824 0.030 A 2 SER HBy H 1 3.824 0.030 A 2 SER C C 13 174.533 0.300 A 2 SER CA C 13 58.351 0.300 A 2 SER CB C 13 63.851 0.300 A 3 GLU H H 1 8.805 0.030 A 3 GLU HA H 1 4.236 0.030 A 3 GLU HBx H 1 1.835 0.030 A 3 GLU HBy H 1 1.905 0.030 A 3 GLU HGx H 1 2.078 0.030 A 3 GLU HGy H 1 2.156 0.030 A 3 GLU C C 13 176.326 0.300 A 3 GLU CA C 13 57.082 0.300 A 3 GLU CB C 13 29.955 0.300 A 3 GLU CG C 13 35.983 0.300 A 3 GLU N N 15 123.130 0.300 A 4 PHE H H 1 8.367 0.030 A 4 PHE HA H 1 4.709 0.030 A 4 PHE HBx H 1 3.018 0.030 A 4 PHE HBy H 1 3.181 0.030 A 4 PHE HEx H 1 7.332 0.030 A 4 PHE HEy H 1 7.332 0.030 A 4 PHE C C 13 176.013 0.300 A 4 PHE CA C 13 57.875 0.300 A 4 PHE CB C 13 39.610 0.300 A 4 PHE CEx C 13 131.637 0.300 A 4 PHE CEy C 13 131.857 0.300 A 4 PHE N N 15 120.886 0.300 A 5 THR H H 1 8.079 0.030 A 5 THR HA H 1 4.345 0.030 A 5 THR HB H 1 4.177 0.030 A 5 THR HG2% H 1 1.170 0.030 A 5 THR C C 13 174.189 0.300 A 5 THR CA C 13 61.653 0.300 A 5 THR CB C 13 69.973 0.300 A 5 THR CG2 C 13 21.446 0.300 A 5 THR N N 15 116.070 0.300 A 6 SER H H 1 8.307 0.030 A 6 SER HA H 1 4.472 0.030 A 6 SER HBx H 1 3.865 0.030 A 6 SER HBy H 1 3.865 0.030 A 6 SER C C 13 174.205 0.300 A 6 SER CA C 13 58.312 0.300 A 6 SER CB C 13 63.812 0.300 A 6 SER N N 15 118.234 0.300 A 7 SER H H 1 8.351 0.030 A 7 SER HA H 1 4.768 0.030 A 7 SER HBx H 1 3.854 0.030 A 7 SER HBy H 1 3.854 0.030 A 7 SER CA C 13 56.540 0.300 A 7 SER CB C 13 63.496 0.300 A 7 SER N N 15 118.827 0.300 A 8 PRO HA H 1 4.410 0.030 A 8 PRO HBx H 1 1.900 0.030 A 8 PRO HBy H 1 2.279 0.030 A 8 PRO HDx H 1 3.706 0.030 A 8 PRO HDy H 1 3.805 0.030 A 8 PRO HGx H 1 2.000 0.030 A 8 PRO HGy H 1 2.000 0.030 A 8 PRO C C 13 177.219 0.300 A 8 PRO CA C 13 63.515 0.300 A 8 PRO CB C 13 32.121 0.300 A 8 PRO CD C 13 50.742 0.300 A 8 PRO CG C 13 27.443 0.300 A 9 ARG H H 1 8.474 0.030 A 9 ARG HA H 1 4.312 0.030 A 9 ARG HBx H 1 1.732 0.030 A 9 ARG HBy H 1 1.732 0.030 A 9 ARG HDx H 1 3.176 0.030 A 9 ARG HDy H 1 3.176 0.030 A 9 ARG HGx H 1 1.634 0.030 A 9 ARG HGy H 1 1.654 0.030 A 9 ARG C C 13 177.116 0.300 A 9 ARG CA C 13 56.315 0.300 A 9 ARG CB C 13 30.997 0.300 A 9 ARG CD C 13 43.327 0.300 A 9 ARG CG C 13 27.359 0.300 A 9 ARG N N 15 120.954 0.300 A 10 GLY H H 1 8.390 0.030 A 10 GLY HAx H 1 3.958 0.030 A 10 GLY HAy H 1 3.958 0.030 A 10 GLY C C 13 174.092 0.300 A 10 GLY CA C 13 45.488 0.300 A 10 GLY N N 15 109.733 0.300 A 11 ASP H H 1 8.327 0.030 A 11 ASP HA H 1 4.598 0.030 A 11 ASP HBx H 1 2.681 0.030 A 11 ASP HBy H 1 2.681 0.030 A 11 ASP C C 13 176.751 0.300 A 11 ASP CA C 13 54.505 0.300 A 11 ASP CB C 13 41.212 0.300 A 11 ASP N N 15 120.653 0.300 A 12 LYS H H 1 8.297 0.030 A 12 LYS HA H 1 4.245 0.030 A 12 LYS HBx H 1 1.809 0.030 A 12 LYS HBy H 1 1.809 0.030 A 12 LYS HDx H 1 1.661 0.030 A 12 LYS HDy H 1 1.661 0.030 A 12 LYS HEx H 1 2.975 0.030 A 12 LYS HEy H 1 2.975 0.030 A 12 LYS HGx H 1 1.440 0.030 A 12 LYS HGy H 1 1.440 0.030 A 12 LYS C C 13 177.091 0.300 A 12 LYS CA C 13 57.093 0.300 A 12 LYS CB C 13 32.742 0.300 A 12 LYS CD C 13 29.080 0.300 A 12 LYS CE C 13 42.061 0.300 A 12 LYS CG C 13 25.097 0.300 A 12 LYS N N 15 121.545 0.300 A 13 ALA H H 1 8.300 0.030 A 13 ALA HA H 1 4.235 0.030 A 13 ALA HB% H 1 1.355 0.030 A 13 ALA C C 13 178.328 0.300 A 13 ALA CA C 13 53.169 0.300 A 13 ALA CB C 13 19.004 0.300 A 13 ALA N N 15 124.017 0.300 A 14 ALA H H 1 8.088 0.030 A 14 ALA HA H 1 4.208 0.030 A 14 ALA HB% H 1 1.349 0.030 A 14 ALA C C 13 178.028 0.300 A 14 ALA CA C 13 53.302 0.300 A 14 ALA CB C 13 18.988 0.300 A 14 ALA N N 15 122.114 0.300 A 15 TYR H H 1 7.894 0.030 A 15 TYR HA H 1 4.296 0.030 A 15 TYR HBx H 1 2.975 0.030 A 15 TYR HBy H 1 3.099 0.030 A 15 TYR HDy H 1 7.158 0.030 A 15 TYR HDx H 1 7.157 0.030 A 15 TYR HEx H 1 6.811 0.030 A 15 TYR HEy H 1 6.811 0.030 A 15 TYR C C 13 175.552 0.300 A 15 TYR CA C 13 58.998 0.300 A 15 TYR CB C 13 38.475 0.300 A 15 TYR CDx C 13 132.578 0.300 A 15 TYR CDy C 13 133.226 0.300 A 15 TYR CEy C 13 118.282 0.300 A 15 TYR CEx C 13 118.212 0.300 A 15 TYR N N 15 116.555 0.300 A 16 ASP H H 1 8.061 0.030 A 16 ASP HA H 1 4.613 0.030 A 16 ASP HBy H 1 2.682 0.030 A 16 ASP HBx H 1 2.623 0.030 A 16 ASP C C 13 175.901 0.300 A 16 ASP CA C 13 54.563 0.300 A 16 ASP CB C 13 41.204 0.300 A 16 ASP N N 15 118.857 0.300 A 17 ILE H H 1 7.735 0.030 A 17 ILE HA H 1 4.103 0.030 A 17 ILE HB H 1 1.962 0.030 A 17 ILE HD1% H 1 0.866 0.030 A 17 ILE HG1x H 1 1.186 0.030 A 17 ILE HG1y H 1 1.535 0.030 A 17 ILE HG2% H 1 0.883 0.030 A 17 ILE C C 13 174.638 0.300 A 17 ILE CA C 13 61.095 0.300 A 17 ILE CB C 13 38.344 0.300 A 17 ILE CD1 C 13 12.958 0.300 A 17 ILE CG1 C 13 27.337 0.300 A 17 ILE CG2 C 13 17.742 0.300 A 17 ILE N N 15 120.990 0.300 A 18 LEU H H 1 8.259 0.030 A 18 LEU HA H 1 4.790 0.030 A 18 LEU HBx H 1 1.062 0.030 A 18 LEU HBy H 1 1.670 0.030 A 18 LEU HDx% H 1 0.620 0.030 A 18 LEU HDy% H 1 0.834 0.030 A 18 LEU HG H 1 1.549 0.030 A 18 LEU C C 13 177.166 0.300 A 18 LEU CA C 13 53.797 0.300 A 18 LEU CB C 13 43.694 0.300 A 18 LEU CDx C 13 23.043 0.300 A 18 LEU CDy C 13 25.602 0.300 A 18 LEU CG C 13 27.240 0.300 A 18 LEU N N 15 125.553 0.300 A 19 ARG H H 1 8.981 0.030 A 19 ARG HA H 1 4.539 0.030 A 19 ARG HBx H 1 1.566 0.030 A 19 ARG HBy H 1 1.741 0.030 A 19 ARG HDx H 1 3.111 0.030 A 19 ARG HDy H 1 3.308 0.030 A 19 ARG HGx H 1 1.565 0.030 A 19 ARG HGy H 1 1.565 0.030 A 19 ARG C C 13 173.848 0.300 A 19 ARG CA C 13 53.838 0.300 A 19 ARG CB C 13 34.883 0.300 A 19 ARG CD C 13 43.069 0.300 A 19 ARG CG C 13 27.338 0.300 A 19 ARG N N 15 123.113 0.300 A 20 ARG H H 1 8.369 0.030 A 20 ARG HA H 1 4.905 0.030 A 20 ARG HBx H 1 1.360 0.030 A 20 ARG HBy H 1 1.494 0.030 A 20 ARG HDx H 1 3.055 0.030 A 20 ARG HDy H 1 3.179 0.030 A 20 ARG HGx H 1 1.294 0.030 A 20 ARG HGy H 1 1.356 0.030 A 20 ARG C C 13 177.030 0.300 A 20 ARG CA C 13 55.207 0.300 A 20 ARG CB C 13 31.916 0.300 A 20 ARG CD C 13 43.329 0.300 A 20 ARG CG C 13 28.909 0.300 A 20 ARG N N 15 121.118 0.300 A 21 CYS H H 1 8.789 0.030 A 21 CYS HA H 1 4.463 0.030 A 21 CYS HBx H 1 2.669 0.030 A 21 CYS HBy H 1 3.199 0.030 A 21 CYS C C 13 178.405 0.300 A 21 CYS CA C 13 59.826 0.300 A 21 CYS CB C 13 30.912 0.300 A 21 CYS N N 15 126.392 0.300 A 22 SER H H 1 9.346 0.030 A 22 SER HA H 1 4.152 0.030 A 22 SER HBx H 1 4.027 0.030 A 22 SER HBy H 1 4.027 0.030 A 22 SER C C 13 173.983 0.300 A 22 SER CA C 13 60.893 0.300 A 22 SER CB C 13 63.170 0.300 A 22 SER N N 15 128.050 0.300 A 23 GLN H H 1 9.560 0.030 A 23 GLN HA H 1 4.400 0.030 A 23 GLN HBx H 1 2.225 0.030 A 23 GLN HBy H 1 2.225 0.030 A 23 GLN HE2y H 1 7.647 0.030 A 23 GLN HE2x H 1 6.964 0.030 A 23 GLN HGx H 1 2.296 0.030 A 23 GLN HGy H 1 2.296 0.030 A 23 GLN C C 13 176.486 0.300 A 23 GLN CA C 13 57.309 0.300 A 23 GLN CB C 13 29.870 0.300 A 23 GLN CG C 13 34.166 0.300 A 23 GLN N N 15 125.648 0.300 A 23 GLN NE2 N 15 114.105 0.300 A 24 CYS H H 1 8.514 0.030 A 24 CYS HA H 1 4.895 0.030 A 24 CYS HBx H 1 3.094 0.030 A 24 CYS HBy H 1 3.094 0.030 A 24 CYS C C 13 177.193 0.300 A 24 CYS CA C 13 58.965 0.300 A 24 CYS CB C 13 32.723 0.300 A 24 CYS N N 15 117.093 0.300 A 25 GLY H H 1 7.795 0.030 A 25 GLY HAx H 1 3.800 0.030 A 25 GLY HAy H 1 4.136 0.030 A 25 GLY C C 13 173.584 0.300 A 25 GLY CA C 13 46.280 0.300 A 25 GLY N N 15 112.635 0.300 A 26 ILE H H 1 8.111 0.030 A 26 ILE HA H 1 4.095 0.030 A 26 ILE HB H 1 1.841 0.030 A 26 ILE HD1% H 1 0.638 0.030 A 26 ILE HG1x H 1 1.117 0.030 A 26 ILE HG1y H 1 1.242 0.030 A 26 ILE HG2% H 1 0.629 0.030 A 26 ILE C C 13 173.868 0.300 A 26 ILE CA C 13 62.686 0.300 A 26 ILE CB C 13 38.435 0.300 A 26 ILE CD1 C 13 13.824 0.300 A 26 ILE CG1 C 13 27.472 0.300 A 26 ILE CG2 C 13 17.211 0.300 A 26 ILE N N 15 121.921 0.300 A 27 LEU H H 1 7.961 0.030 A 27 LEU HA H 1 4.459 0.030 A 27 LEU HBx H 1 1.437 0.030 A 27 LEU HBy H 1 1.437 0.030 A 27 LEU HDx% H 1 0.698 0.030 A 27 LEU HDy% H 1 0.736 0.030 A 27 LEU HG H 1 1.383 0.030 A 27 LEU C C 13 176.643 0.300 A 27 LEU CA C 13 54.371 0.300 A 27 LEU CB C 13 43.517 0.300 A 27 LEU CDx C 13 24.969 0.300 A 27 LEU CDy C 13 24.983 0.300 A 27 LEU CG C 13 27.034 0.300 A 27 LEU N N 15 124.429 0.300 A 28 LEU H H 1 8.847 0.030 A 28 LEU HA H 1 4.924 0.030 A 28 LEU HBx H 1 1.226 0.030 A 28 LEU HBy H 1 1.379 0.030 A 28 LEU HDx% H 1 0.420 0.030 A 28 LEU HDy% H 1 0.781 0.030 A 28 LEU HG H 1 1.298 0.030 A 28 LEU CA C 13 51.921 0.300 A 28 LEU CB C 13 46.326 0.300 A 28 LEU CDy C 13 26.303 0.300 A 28 LEU CDx C 13 23.140 0.300 A 28 LEU CG C 13 26.457 0.300 A 28 LEU N N 15 125.778 0.300 A 29 PRO HA H 1 4.714 0.030 A 29 PRO HBy H 1 2.494 0.030 A 29 PRO HBx H 1 1.788 0.030 A 29 PRO HDx H 1 3.399 0.030 A 29 PRO HDy H 1 3.856 0.030 A 29 PRO HGy H 1 2.159 0.030 A 29 PRO HGx H 1 1.953 0.030 A 29 PRO C C 13 178.244 0.300 A 29 PRO CA C 13 62.424 0.300 A 29 PRO CB C 13 33.239 0.300 A 29 PRO CD C 13 50.615 0.300 A 29 PRO CG C 13 28.135 0.300 A 30 LEU H H 1 8.889 0.030 A 30 LEU HA H 1 4.078 0.030 A 30 LEU HBx H 1 1.579 0.030 A 30 LEU HBy H 1 1.846 0.030 A 30 LEU HDx% H 1 0.885 0.030 A 30 LEU HDy% H 1 0.934 0.030 A 30 LEU HG H 1 1.657 0.030 A 30 LEU CA C 13 59.748 0.300 A 30 LEU CB C 13 39.913 0.300 A 30 LEU CDy C 13 24.883 0.300 A 30 LEU CDx C 13 24.493 0.300 A 30 LEU CG C 13 27.227 0.300 A 30 LEU N N 15 124.813 0.300 A 31 PRO HA H 1 4.354 0.030 A 31 PRO HBy H 1 2.369 0.030 A 31 PRO HBx H 1 1.607 0.030 A 31 PRO HDx H 1 3.141 0.030 A 31 PRO HDy H 1 3.809 0.030 A 31 PRO HGy H 1 1.768 0.030 A 31 PRO HGx H 1 1.544 0.030 A 31 PRO C C 13 178.305 0.300 A 31 PRO CA C 13 65.870 0.300 A 31 PRO CB C 13 31.742 0.300 A 31 PRO CD C 13 50.542 0.300 A 31 PRO CG C 13 28.360 0.300 A 32 ILE H H 1 7.289 0.030 A 32 ILE HA H 1 4.504 0.030 A 32 ILE HB H 1 2.155 0.030 A 32 ILE HD1% H 1 0.936 0.030 A 32 ILE HG1y H 1 1.446 0.030 A 32 ILE HG1x H 1 1.248 0.030 A 32 ILE HG2% H 1 1.008 0.030 A 32 ILE C C 13 177.366 0.300 A 32 ILE CA C 13 60.981 0.300 A 32 ILE CB C 13 38.468 0.300 A 32 ILE CD1 C 13 12.957 0.300 A 32 ILE CG1 C 13 27.471 0.300 A 32 ILE CG2 C 13 18.152 0.300 A 32 ILE N N 15 110.885 0.300 A 33 LEU H H 1 8.132 0.030 A 33 LEU HA H 1 3.999 0.030 A 33 LEU HBy H 1 1.940 0.030 A 33 LEU HBx H 1 1.470 0.030 A 33 LEU HDx% H 1 0.861 0.030 A 33 LEU HDy% H 1 0.835 0.030 A 33 LEU HG H 1 1.564 0.030 A 33 LEU C C 13 178.588 0.300 A 33 LEU CA C 13 58.528 0.300 A 33 LEU CB C 13 41.641 0.300 A 33 LEU CDx C 13 23.036 0.300 A 33 LEU CDy C 13 25.604 0.300 A 33 LEU CG C 13 27.229 0.300 A 33 LEU N N 15 124.452 0.300 A 34 ASN H H 1 8.708 0.030 A 34 ASN HA H 1 4.438 0.030 A 34 ASN HBx H 1 2.814 0.030 A 34 ASN HBy H 1 2.814 0.030 A 34 ASN HD2y H 1 7.657 0.030 A 34 ASN HD2x H 1 6.888 0.030 A 34 ASN C C 13 177.791 0.300 A 34 ASN CA C 13 57.101 0.300 A 34 ASN CB C 13 37.642 0.300 A 34 ASN N N 15 117.092 0.300 A 34 ASN ND2 N 15 111.534 0.309 A 35 GLN H H 1 8.118 0.030 A 35 GLN HA H 1 4.190 0.030 A 35 GLN HBx H 1 2.163 0.030 A 35 GLN HBy H 1 2.163 0.030 A 35 GLN HE2y H 1 7.621 0.030 A 35 GLN HE2x H 1 6.952 0.030 A 35 GLN HGx H 1 2.474 0.030 A 35 GLN HGy H 1 2.515 0.030 A 35 GLN C C 13 178.483 0.300 A 35 GLN CA C 13 58.552 0.300 A 35 GLN CB C 13 28.608 0.300 A 35 GLN CG C 13 34.041 0.300 A 35 GLN N N 15 118.707 0.300 A 35 GLN NE2 N 15 111.648 0.300 A 36 HIS H H 1 8.036 0.030 A 36 HIS HA H 1 4.280 0.030 A 36 HIS HBx H 1 3.260 0.030 A 36 HIS HBy H 1 3.374 0.030 A 36 HIS HD2 H 1 7.081 0.030 A 36 HIS HE1 H 1 7.933 0.030 A 36 HIS C C 13 177.431 0.300 A 36 HIS CA C 13 59.949 0.300 A 36 HIS CB C 13 28.673 0.300 A 36 HIS CD2 C 13 127.998 0.300 A 36 HIS CE1 C 13 139.233 0.300 A 36 HIS N N 15 118.674 0.300 A 37 GLN H H 1 9.230 0.030 A 37 GLN HA H 1 4.068 0.030 A 37 GLN HBy H 1 2.353 0.030 A 37 GLN HBx H 1 2.223 0.030 A 37 GLN HE2y H 1 7.565 0.030 A 37 GLN HE2x H 1 6.895 0.030 A 37 GLN HGy H 1 2.875 0.030 A 37 GLN HGx H 1 2.743 0.030 A 37 GLN C C 13 177.499 0.300 A 37 GLN CA C 13 59.987 0.300 A 37 GLN CB C 13 30.456 0.300 A 37 GLN CG C 13 35.710 0.300 A 37 GLN N N 15 118.973 0.300 A 37 GLN NE2 N 15 109.910 0.300 A 38 GLU H H 1 7.964 0.030 A 38 GLU HA H 1 4.065 0.030 A 38 GLU HBy H 1 2.090 0.030 A 38 GLU HBx H 1 2.043 0.030 A 38 GLU HGy H 1 2.384 0.030 A 38 GLU HGx H 1 2.276 0.030 A 38 GLU C C 13 178.495 0.300 A 38 GLU CA C 13 59.380 0.300 A 38 GLU CB C 13 29.625 0.300 A 38 GLU CG C 13 36.211 0.300 A 38 GLU N N 15 117.628 0.300 A 39 LYS H H 1 7.020 0.030 A 39 LYS HA H 1 4.269 0.030 A 39 LYS HBx H 1 1.801 0.030 A 39 LYS HBy H 1 1.801 0.030 A 39 LYS HDx H 1 1.651 0.030 A 39 LYS HDy H 1 1.651 0.030 A 39 LYS HEx H 1 2.958 0.030 A 39 LYS HEy H 1 2.958 0.030 A 39 LYS HGx H 1 1.421 0.030 A 39 LYS HGy H 1 1.421 0.030 A 39 LYS C C 13 176.738 0.300 A 39 LYS CA C 13 57.514 0.300 A 39 LYS CB C 13 32.832 0.300 A 39 LYS CD C 13 29.030 0.300 A 39 LYS CE C 13 42.069 0.300 A 39 LYS CG C 13 24.846 0.300 A 39 LYS N N 15 117.698 0.300 A 40 CYS H H 1 8.126 0.030 A 40 CYS HA H 1 3.765 0.030 A 40 CYS HBy H 1 2.632 0.030 A 40 CYS HBx H 1 2.154 0.030 A 40 CYS C C 13 178.133 0.300 A 40 CYS CA C 13 63.295 0.300 A 40 CYS CB C 13 29.413 0.300 A 40 CYS N N 15 124.171 0.300 A 41 ARG H H 1 8.381 0.030 A 41 ARG HA H 1 4.107 0.030 A 41 ARG HBx H 1 1.776 0.030 A 41 ARG HBy H 1 1.858 0.030 A 41 ARG HDx H 1 3.108 0.030 A 41 ARG HDy H 1 3.108 0.030 A 41 ARG HGx H 1 1.628 0.030 A 41 ARG HGy H 1 1.628 0.030 A 41 ARG C C 13 177.886 0.300 A 41 ARG CA C 13 58.166 0.300 A 41 ARG CB C 13 30.563 0.300 A 41 ARG CD C 13 43.388 0.300 A 41 ARG CG C 13 27.259 0.300 A 41 ARG N N 15 119.660 0.300 A 42 TRP H H 1 7.811 0.030 A 42 TRP HA H 1 4.385 0.030 A 42 TRP HBx H 1 3.363 0.030 A 42 TRP HBy H 1 3.390 0.030 A 42 TRP HD1 H 1 7.280 0.030 A 42 TRP HE1 H 1 10.156 0.030 A 42 TRP HE3 H 1 7.587 0.030 A 42 TRP HH2 H 1 7.212 0.030 A 42 TRP HZ2 H 1 7.469 0.030 A 42 TRP HZ3 H 1 7.263 0.030 A 42 TRP C C 13 178.302 0.300 A 42 TRP CA C 13 60.137 0.300 A 42 TRP CB C 13 29.325 0.300 A 42 TRP CD1 C 13 129.835 0.300 A 42 TRP CE3 C 13 121.016 0.300 A 42 TRP CH2 C 13 124.469 0.300 A 42 TRP CZ2 C 13 114.636 0.300 A 42 TRP CZ3 C 13 127.332 0.300 A 42 TRP N N 15 121.625 0.300 A 42 TRP NE1 N 15 129.513 0.300 A 43 LEU H H 1 8.483 0.030 A 43 LEU HA H 1 3.923 0.030 A 43 LEU HBx H 1 1.545 0.030 A 43 LEU HBy H 1 1.791 0.030 A 43 LEU HDx% H 1 0.922 0.030 A 43 LEU HDy% H 1 0.908 0.030 A 43 LEU HG H 1 1.741 0.030 A 43 LEU C C 13 178.529 0.300 A 43 LEU CA C 13 56.747 0.300 A 43 LEU CB C 13 42.198 0.300 A 43 LEU CDy C 13 25.170 0.300 A 43 LEU CDx C 13 23.617 0.300 A 43 LEU CG C 13 26.976 0.300 A 43 LEU N N 15 122.158 0.300 A 44 ALA H H 1 7.846 0.030 A 44 ALA HA H 1 4.121 0.030 A 44 ALA HB% H 1 1.405 0.030 A 44 ALA C C 13 179.065 0.300 A 44 ALA CA C 13 53.885 0.300 A 44 ALA CB C 13 18.771 0.300 A 44 ALA N N 15 121.923 0.300 A 45 SER H H 1 7.996 0.030 A 45 SER HA H 1 4.341 0.030 A 45 SER HBx H 1 3.904 0.030 A 45 SER HBy H 1 3.904 0.030 A 45 SER C C 13 175.670 0.300 A 45 SER CA C 13 59.448 0.300 A 45 SER CB C 13 63.658 0.300 A 45 SER N N 15 113.586 0.300 A 46 SER H H 1 8.082 0.030 A 46 SER HA H 1 4.239 0.030 A 46 SER HBx H 1 3.548 0.030 A 46 SER HBy H 1 3.712 0.030 A 46 SER C C 13 175.125 0.300 A 46 SER CA C 13 59.437 0.300 A 46 SER CB C 13 63.378 0.300 A 46 SER N N 15 117.311 0.300 A 47 LYS H H 1 7.908 0.030 A 47 LYS HA H 1 4.238 0.030 A 47 LYS HBx H 1 1.830 0.030 A 47 LYS HBy H 1 1.830 0.030 A 47 LYS HDx H 1 1.648 0.030 A 47 LYS HDy H 1 1.648 0.030 A 47 LYS HEx H 1 2.954 0.030 A 47 LYS HEy H 1 2.954 0.030 A 47 LYS HGx H 1 1.426 0.030 A 47 LYS HGy H 1 1.426 0.030 A 47 LYS C C 13 177.311 0.300 A 47 LYS CA C 13 56.840 0.300 A 47 LYS CB C 13 32.644 0.300 A 47 LYS CD C 13 28.976 0.300 A 47 LYS CE C 13 42.154 0.300 A 47 LYS CG C 13 24.687 0.300 A 47 LYS N N 15 121.877 0.300 A 48 GLY H H 1 8.184 0.030 A 48 GLY HAx H 1 3.900 0.030 A 48 GLY HAy H 1 3.900 0.030 A 48 GLY C C 13 174.353 0.300 A 48 GLY CA C 13 45.487 0.300 A 48 GLY N N 15 108.912 0.300 A 49 LYS H H 1 8.031 0.030 A 49 LYS HA H 1 4.302 0.030 A 49 LYS HBx H 1 1.766 0.030 A 49 LYS HBy H 1 1.766 0.030 A 49 LYS HDx H 1 1.645 0.030 A 49 LYS HDy H 1 1.645 0.030 A 49 LYS HEx H 1 2.956 0.030 A 49 LYS HEy H 1 2.956 0.030 A 49 LYS HGx H 1 1.383 0.030 A 49 LYS HGy H 1 1.383 0.030 A 49 LYS C C 13 176.616 0.300 A 49 LYS CA C 13 56.109 0.300 A 49 LYS CB C 13 32.962 0.300 A 49 LYS CD C 13 29.011 0.300 A 49 LYS CE C 13 42.141 0.300 A 49 LYS CG C 13 24.824 0.300 A 49 LYS N N 15 120.301 0.300 A 50 GLN H H 1 8.392 0.030 A 50 GLN HA H 1 4.309 0.030 A 50 GLN HBx H 1 2.022 0.030 A 50 GLN HBy H 1 2.022 0.030 A 50 GLN HE2y H 1 7.539 0.030 A 50 GLN HE2x H 1 6.894 0.030 A 50 GLN HGx H 1 2.331 0.030 A 50 GLN HGy H 1 2.331 0.030 A 50 GLN C C 13 176.066 0.300 A 50 GLN CA C 13 55.995 0.300 A 50 GLN CB C 13 29.513 0.300 A 50 GLN CG C 13 33.841 0.300 A 50 GLN N N 15 121.384 0.300 A 50 GLN NE2 N 15 112.346 0.300 A 51 VAL H H 1 8.298 0.030 A 51 VAL HA H 1 4.086 0.030 A 51 VAL HB H 1 2.033 0.030 A 51 VAL HGx% H 1 0.906 0.030 A 51 VAL HGy% H 1 0.924 0.030 A 51 VAL C C 13 176.076 0.300 A 51 VAL CA C 13 62.525 0.300 A 51 VAL CB C 13 32.771 0.300 A 51 VAL CGy C 13 21.287 0.300 A 51 VAL CGx C 13 20.711 0.300 A 51 VAL N N 15 122.558 0.300 A 52 ARG H H 1 8.439 0.030 A 52 ARG HA H 1 4.301 0.030 A 52 ARG HBx H 1 1.681 0.030 A 52 ARG HBy H 1 1.681 0.030 A 52 ARG HDx H 1 3.110 0.030 A 52 ARG HDy H 1 3.110 0.030 A 52 ARG HGx H 1 1.483 0.030 A 52 ARG HGy H 1 1.483 0.030 A 52 ARG C C 13 175.496 0.300 A 52 ARG CA C 13 55.931 0.300 A 52 ARG CB C 13 31.021 0.300 A 52 ARG CD C 13 43.364 0.300 A 52 ARG CG C 13 27.222 0.300 A 52 ARG N N 15 125.087 0.300 A 53 ASN H H 1 8.417 0.030 A 53 ASN HA H 1 4.660 0.030 A 53 ASN HBx H 1 2.657 0.030 A 53 ASN HBy H 1 2.714 0.030 A 53 ASN HD2y H 1 7.588 0.030 A 53 ASN HD2x H 1 6.900 0.030 A 53 ASN C C 13 174.667 0.300 A 53 ASN CA C 13 53.181 0.300 A 53 ASN CB C 13 39.165 0.300 A 53 ASN N N 15 120.409 0.300 A 53 ASN ND2 N 15 112.611 0.300 A 54 PHE H H 1 8.277 0.030 A 54 PHE HA H 1 4.672 0.030 A 54 PHE HBx H 1 3.003 0.030 A 54 PHE HBy H 1 3.178 0.030 A 54 PHE HDx H 1 7.248 0.030 A 54 PHE HDy H 1 7.248 0.030 A 54 PHE HEy H 1 7.248 0.030 A 54 PHE HEx H 1 7.247 0.030 A 54 PHE C C 13 174.918 0.300 A 54 PHE CA C 13 57.795 0.300 A 54 PHE CB C 13 39.661 0.300 A 54 PHE CDx C 13 132.615 0.300 A 54 PHE CDy C 13 133.102 0.300 A 54 PHE CEy C 13 131.706 0.300 A 54 PHE CEx C 13 131.462 0.300 A 54 PHE N N 15 120.884 0.300 A 55 SER H H 1 7.939 0.030 A 55 SER HA H 1 4.218 0.030 A 55 SER HBx H 1 3.828 0.030 A 55 SER HBy H 1 3.828 0.030 A 55 SER CA C 13 60.074 0.300 A 55 SER CB C 13 64.923 0.300 A 55 SER N N 15 122.368 0.300 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 21 CYS HA A 22 SER H 1.0 . 3.45 2 2 A 34 ASN HA A 37 GLN H 1.0 . 4.16 3 3 A 37 GLN H A 36 HIS HBy 1.0 . 4.31 4 4 A 37 GLN H A 37 GLN HBy 1.0 . 3.72 5 5 A 23 GLN H A 23 GLN HBx 1.0 . 3.71 6 5 A 23 GLN H A 23 GLN HBy 1.0 . 3.71 7 6 A 20 ARG HA A 21 CYS H 1.0 . 3.13 8 7 A 18 LEU HA A 19 ARG H 1.0 . 3.22 9 8 A 29 PRO HDy A 30 LEU H 1.0 . 4.80 10 9 A 30 LEU H A 31 PRO HDy 1.0 . 4.97 11 10 A 21 CYS H A 21 CYS HBy 1.0 . 3.51 12 11 A 34 ASN H A 34 ASN HBx 1.0 . 3.74 13 11 A 34 ASN H A 34 ASN HBy 1.0 . 3.74 14 12 A 21 CYS H A 21 CYS HBx 1.0 . 3.64 15 13 A 34 ASN H A 33 LEU HBy 1.0 . 4.45 16 14 A 19 ARG H A 19 ARG HBy 1.0 . 4.01 17 15 A 30 LEU H A 30 LEU HBx 1.0 . 3.91 18 16 A 19 ARG H A 19 ARG HBx 1.0 . 4.01 19 17 A 21 CYS H A 20 ARG HBy 1.0 . 4.24 20 18 A 19 ARG H A 18 LEU HBx 1.0 . 4.26 21 19 A 19 ARG H A 33 LEU HDx% 1.0 . 5.12 22 20 A 19 ARG HA A 20 ARG H 1.0 . 3.11 23 21 A 42 TRP HBy A 43 LEU H 1.0 . 4.00 24 22 A 21 CYS HBy A 24 CYS H 1.0 . 4.45 25 23 A 12 LYS H A 11 ASP HBx 1.0 . 5.10 26 23 A 11 ASP HBy A 12 LYS H 1.0 . 5.10 27 24 A 24 CYS H A 23 GLN HBx 1.0 . 4.15 28 24 A 23 GLN HBy A 24 CYS H 1.0 . 4.15 29 25 A 51 VAL H A 50 GLN HBx 1.0 . 4.46 30 25 A 50 GLN HBy A 51 VAL H 1.0 . 4.46 31 26 A 12 LYS H A 12 LYS HBx 1.0 . 4.15 32 26 A 12 LYS H A 12 LYS HBy 1.0 . 4.15 33 27 A 13 ALA H A 12 LYS HBx 1.0 . 4.64 34 27 A 12 LYS HBy A 13 ALA H 1.0 . 4.64 35 28 A 9 ARG H A 9 ARG HBx 1.0 . 3.61 36 28 A 9 ARG H A 9 ARG HBy 1.0 . 3.61 37 29 A 43 LEU H A 43 LEU HBy 1.0 . 4.01 38 30 A 10 GLY H A 9 ARG HBx 1.0 . 3.92 39 30 A 9 ARG HBy A 10 GLY H 1.0 . 3.92 40 31 A 43 LEU H A 43 LEU HBx 1.0 . 4.01 41 32 A 20 ARG H A 19 ARG HGx 1.0 . 3.74 42 32 A 20 ARG H A 19 ARG HGy 1.0 . 3.74 43 33 A 20 ARG H A 20 ARG HGy 1.0 . 4.51 44 34 A 50 GLN H A 49 LYS HGx 1.0 . 4.38 45 34 A 49 LYS HGy A 50 GLN H 1.0 . 4.38 46 35 A 13 ALA H A 13 ALA HB% 1.0 . 3.51 47 36 A 20 ARG H A 27 LEU HDy% 1.0 . 4.82 48 37 A 20 ARG H A 27 LEU HDx% 1.0 . 5.41 49 38 A 18 LEU H A 18 LEU HDy% 1.0 . 4.56 50 39 A 15 TYR H A 15 TYR HDy 1.0 . 5.27 51 40 A 15 TYR H A 15 TYR HDx 1.0 . 5.50 52 41 A 41 ARG H A 42 TRP H 1.0 . 4.13 53 42 A 51 VAL H A 52 ARG H 1.0 . 4.98 54 43 A 53 ASN H A 54 PHE H 1.0 . 5.45 55 44 A 51 VAL H A 50 GLN H 1.0 . 5.30 56 45 A 54 PHE H A 55 SER H 1.0 . 4.56 57 46 A 46 SER H A 47 LYS H 1.0 . 4.05 58 47 A 24 CYS HA A 26 ILE H 1.0 . 4.86 59 48 A 32 ILE HA A 35 GLN H 1.0 . 4.86 60 49 A 26 ILE HA A 27 LEU H 1.0 . 3.04 61 50 A 36 HIS H A 37 GLN HA 1.0 . 5.35 62 51 A 42 TRP H A 42 TRP HBx 1.0 . 3.47 63 52 A 42 TRP HBy A 42 TRP H 1.0 . 3.91 64 53 A 21 CYS HBy A 25 GLY H 1.0 . 4.01 65 54 A 15 TYR H A 15 TYR HBy 1.0 . 4.04 66 55 A 15 TYR H A 15 TYR HBx 1.0 . 4.04 67 56 A 36 HIS H A 36 HIS HBy 1.0 . 3.67 68 57 A 33 LEU HBy A 33 LEU H 1.0 . 3.78 69 58 A 26 ILE H A 26 ILE HB 1.0 . 3.71 70 59 A 35 GLN H A 35 GLN HBx 1.0 . 3.44 71 59 A 35 GLN H A 35 GLN HBy 1.0 . 3.44 72 60 A 38 GLU H A 38 GLU HGx 1.0 . 4.32 73 61 A 36 HIS H A 35 GLN HBx 1.0 . 3.84 74 61 A 36 HIS H A 35 GLN HBy 1.0 . 3.84 75 62 A 38 GLU H A 38 GLU HBx 1.0 . 3.95 76 63 A 16 ASP H A 16 ASP HBy 1.0 . 4.13 77 64 A 26 ILE H A 26 ILE HG2% 1.0 . 3.60 78 65 A 27 LEU H A 27 LEU HBx 1.0 . 3.44 79 65 A 27 LEU H A 27 LEU HBy 1.0 . 3.44 80 66 A 44 ALA HB% A 45 SER H 1.0 . 3.80 81 67 A 15 TYR H A 14 ALA HB% 1.0 . 3.91 82 68 A 14 ALA HB% A 14 ALA H 1.0 . 3.56 83 69 A 33 LEU H A 28 LEU HBy 1.0 . 3.71 84 70 A 27 LEU H A 26 ILE HG1y 1.0 . 4.63 85 71 A 26 ILE HG2% A 36 HIS HE1 1.0 . 3.66 86 72 A 27 LEU H A 26 ILE HB 1.0 . 4.52 87 73 A 26 ILE HB A 36 HIS HE1 1.0 . 5.02 88 74 A 17 ILE H A 17 ILE HB 1.0 . 3.68 89 75 A 17 ILE H A 18 LEU HG 1.0 . 4.03 90 76 A 17 ILE H A 17 ILE HG2% 1.0 . 4.06 91 77 A 42 TRP HE3 A 43 LEU HG 1.0 . 5.32 92 78 A 42 TRP HE3 A 43 LEU HA 1.0 . 4.41 93 79 A 42 TRP HBy A 42 TRP HE3 1.0 . 3.84 94 80 A 55 SER H A 54 PHE HDx 1.0 . 4.32 95 81 A 42 TRP H A 42 TRP HD1 1.0 . 4.89 96 82 A 54 PHE HDx A 54 PHE HA 1.0 . 4.90 97 83 A 54 PHE HA A 54 PHE HDy 1.0 . 5.21 98 84 A 15 TYR HDy A 15 TYR HA 1.0 . 4.65 99 85 A 15 TYR HDx A 15 TYR HA 1.0 . 5.20 100 86 A 37 GLN HA A 36 HIS HD2 1.0 . 3.41 101 87 A 42 TRP HBx A 42 TRP HD1 1.0 . 3.66 102 88 A 32 ILE H A 32 ILE HG1x 1.0 . 4.21 103 89 A 39 LYS H A 38 GLU HBy 1.0 . 4.35 104 90 A 39 LYS H A 39 LYS HGx 1.0 . 4.50 105 90 A 39 LYS H A 39 LYS HGy 1.0 . 4.50 106 91 A 26 ILE HG2% A 28 LEU HDy% 1.0 . 3.54 107 92 A 28 LEU HDy% A 36 HIS HBy 1.0 . 4.00 108 93 A 28 LEU HDy% A 36 HIS HBx 1.0 . 4.00 109 94 A 28 LEU HDy% A 33 LEU HA 1.0 . 3.61 110 95 A 28 LEU HDy% A 28 LEU HA 1.0 . 4.33 111 96 A 18 LEU HDy% A 28 LEU HA 1.0 . 3.72 112 97 A 18 LEU HA A 18 LEU HDy% 1.0 . 3.76 113 98 A 18 LEU HDy% A 29 PRO HA 1.0 . 3.88 114 99 A 26 ILE HA A 26 ILE HD1% 1.0 . 3.98 115 100 A 36 HIS HD2 A 28 LEU HDy% 1.0 . 4.78 116 101 A 21 CYS HBy A 26 ILE HG2% 1.0 . 4.17 117 102 A 26 ILE HG2% A 26 ILE HG1x 1.0 . 3.72 118 103 A 27 LEU HDy% A 18 LEU HBy 1.0 . 3.87 119 104 A 27 LEU HDx% A 27 LEU HBx 1.0 . 3.43 120 104 A 27 LEU HDx% A 27 LEU HBy 1.0 . 3.43 121 105 A 27 LEU HDy% A 27 LEU HBx 1.0 . 3.27 122 105 A 27 LEU HDy% A 27 LEU HBy 1.0 . 3.27 123 106 A 27 LEU HDx% A 27 LEU HA 1.0 . 3.77 124 107 A 20 ARG HA A 27 LEU HDx% 1.0 . 4.09 125 108 A 21 CYS H A 27 LEU HDx% 1.0 . 4.42 126 109 A 28 LEU HA A 28 LEU HDx% 1.0 . 3.23 127 110 A 32 ILE HD1% A 29 PRO HGx 1.0 . 3.70 128 111 A 27 LEU HDy% A 18 LEU HDx% 1.0 . 2.79 129 112 A 18 LEU HDy% A 17 ILE HD1% 1.0 . 3.42 130 113 A 51 VAL HA A 51 VAL HGx% 1.0 . 3.80 131 114 A 33 LEU HA A 33 LEU HDx% 1.0 . 4.69 132 115 A 32 ILE HD1% A 29 PRO HDx 1.0 . 3.90 133 116 A 19 ARG H A 33 LEU HDy% 1.0 . 5.12 134 117 A 30 LEU H A 32 ILE HD1% 1.0 . 4.11 135 118 A 43 LEU H A 43 LEU HDx% 1.0 . 4.83 136 119 A 16 ASP H A 17 ILE HG2% 1.0 . 4.75 137 120 A 50 GLN HA A 51 VAL HGy% 1.0 . 4.58 138 121 A 18 LEU HBx A 27 LEU HBx 1.0 . 4.03 139 121 A 18 LEU HBx A 27 LEU HBy 1.0 . 4.03 140 122 A 32 ILE HG2% A 32 ILE HG1x 1.0 . 3.82 141 123 A 28 LEU HDx% A 26 ILE HG1x 1.0 . 4.08 142 124 A 28 LEU HDy% A 28 LEU HBx 1.0 . 3.72 143 125 A 28 LEU HBy A 28 LEU HDy% 1.0 . 3.77 144 126 A 28 LEU HDx% A 26 ILE HG1y 1.0 . 4.08 145 127 A 26 ILE HG2% A 28 LEU HG 1.0 . 4.57 146 128 A 26 ILE HD1% A 28 LEU HG 1.0 . 5.05 147 129 A 18 LEU HBy A 18 LEU HDx% 1.0 . 3.76 148 130 A 18 LEU HDx% A 27 LEU HBx 1.0 . 3.59 149 130 A 27 LEU HBy A 18 LEU HDx% 1.0 . 3.59 150 131 A 30 LEU HA A 33 LEU HBx 1.0 . 3.81 151 132 A 39 LYS HA A 39 LYS HDx 1.0 . 4.20 152 132 A 39 LYS HA A 39 LYS HDy 1.0 . 4.20 153 133 A 29 PRO HDx A 32 ILE HB 1.0 . 4.23 154 134 A 52 ARG HBy A 52 ARG HGx 1.0 . 2.58 155 134 A 52 ARG HBx A 52 ARG HGx 1.0 . 2.58 156 134 A 52 ARG HGy A 52 ARG HBx 1.0 . 2.58 157 134 A 52 ARG HBy A 52 ARG HGy 1.0 . 2.58 158 135 A 28 LEU HG A 28 LEU H 1.0 . 4.71 159 136 A 21 CYS H A 20 ARG HBx 1.0 . 4.24 160 137 A 20 ARG H A 20 ARG HGx 1.0 . 4.51 161 138 A 13 ALA H A 12 LYS HDx 1.0 . 4.09 162 138 A 13 ALA H A 12 LYS HDy 1.0 . 4.09 163 139 A 33 LEU H A 28 LEU HBx 1.0 . 4.64 164 140 A 26 ILE H A 26 ILE HG1x 1.0 . 4.82 165 141 A 38 GLU H A 38 GLU HBy 1.0 . 3.95 166 142 A 47 LYS H A 47 LYS HBx 1.0 . 4.15 167 142 A 47 LYS H A 47 LYS HBy 1.0 . 4.15 168 143 A 23 GLN HE2y A 23 GLN HBx 1.0 . 4.65 169 143 A 23 GLN HBy A 23 GLN HE2y 1.0 . 4.65 170 144 A 39 LYS H A 38 GLU HBx 1.0 . 4.35 171 145 A 48 GLY H A 47 LYS HGx 1.0 . 4.71 172 145 A 47 LYS HGy A 48 GLY H 1.0 . 4.71 173 146 A 33 LEU HBy A 28 LEU HBx 1.0 . 4.48 174 147 A 9 ARG HBx A 9 ARG HDx 1.0 . 3.77 175 147 A 9 ARG HBy A 9 ARG HDx 1.0 . 3.77 176 147 A 9 ARG HDy A 9 ARG HBx 1.0 . 3.77 177 147 A 9 ARG HBy A 9 ARG HDy 1.0 . 3.77 178 148 A 18 LEU HBy A 28 LEU H 1.0 . 4.67 179 149 A 27 LEU H A 26 ILE HG1x 1.0 . 4.63 180 150 A 27 LEU H A 28 LEU HDy% 1.0 . 4.78 181 151 A 23 GLN HE2x A 23 GLN HBx 1.0 . 4.65 182 151 A 23 GLN HBy A 23 GLN HE2x 1.0 . 4.65 183 152 A 29 PRO HDx A 28 LEU HBx 1.0 . 4.07 184 153 A 27 LEU HDx% A 28 LEU HDy% 1.0 . 4.78 185 154 A 26 ILE HG2% A 28 LEU HDx% 1.0 . 3.29 186 155 A 33 LEU HBy A 33 LEU HDx% 1.0 . 4.05 187 156 A 20 ARG H A 19 ARG HDx 1.0 . 4.54 188 157 A 35 GLN H A 34 ASN HBx 1.0 . 4.02 189 157 A 34 ASN HBy A 35 GLN H 1.0 . 4.02 190 158 A 29 PRO HDx A 32 ILE HG2% 1.0 . 4.64 191 159 A 12 LYS HA A 12 LYS HGx 1.0 . 3.93 192 159 A 12 LYS HA A 12 LYS HGy 1.0 . 3.93 193 160 A 47 LYS HA A 47 LYS HGx 1.0 . 4.17 194 160 A 47 LYS HGy A 47 LYS HA 1.0 . 4.17 195 161 A 7 SER HA A 8 PRO HDx 1.0 . 3.53 196 162 A 7 SER HA A 8 PRO HDy 1.0 . 3.53 197 163 A 29 PRO HDy A 28 LEU HA 1.0 . 3.82 198 164 A 13 ALA HB% A 14 ALA H 1.0 . 3.75 199 165 A 18 LEU HBx A 17 ILE HD1% 1.0 . 4.56 200 166 A 17 ILE HB A 17 ILE HD1% 1.0 . 3.74 201 167 A 17 ILE HD1% A 17 ILE HA 1.0 . 3.81 202 168 A 16 ASP H A 16 ASP HBx 1.0 . 4.13 203 169 A 18 LEU H A 17 ILE HG2% 1.0 . 4.07 204 170 A 17 ILE HG2% A 17 ILE HA 1.0 . 3.58 205 171 A 18 LEU HG A 17 ILE HG2% 1.0 . 3.56 206 172 A 17 ILE HG2% A 17 ILE HG1x 1.0 . 3.66 207 173 A 18 LEU HBx A 17 ILE HG2% 1.0 . 4.21 208 174 A 18 LEU HBx A 18 LEU HDx% 1.0 . 4.06 209 175 A 18 LEU HDy% A 29 PRO HBy 1.0 . 4.28 210 176 A 18 LEU HDy% A 29 PRO HDx 1.0 . 4.30 211 177 A 29 PRO HDy A 18 LEU HDy% 1.0 . 4.15 212 178 A 33 LEU HBy A 33 LEU HDy% 1.0 . 4.05 213 179 A 19 ARG HDy A 33 LEU HDy% 1.0 . 5.50 214 180 A 33 LEU HA A 33 LEU HDy% 1.0 . 4.69 215 181 A 27 LEU HA A 18 LEU HDx% 1.0 . 5.22 216 182 A 34 ASN HA A 33 LEU HDy% 1.0 . 5.50 217 183 A 33 LEU HDx% A 19 ARG HBx 1.0 . 4.79 218 184 A 19 ARG HBx A 33 LEU HDy% 1.0 . 4.79 219 185 A 19 ARG HBy A 33 LEU HDx% 1.0 . 4.79 220 186 A 19 ARG HBy A 33 LEU HDy% 1.0 . 4.79 221 187 A 33 LEU HDx% A 19 ARG HDx 1.0 . 5.50 222 188 A 19 ARG HDx A 33 LEU HDy% 1.0 . 5.50 223 189 A 33 LEU HDx% A 19 ARG HDy 1.0 . 5.50 224 190 A 20 ARG H A 19 ARG HDy 1.0 . 4.54 225 191 A 18 LEU HDx% A 28 LEU H 1.0 . 5.18 226 192 A 19 ARG H A 18 LEU HDy% 1.0 . 4.00 227 193 A 21 CYS HBx A 36 HIS HD2 1.0 . 4.98 228 194 A 21 CYS HBx A 25 GLY H 1.0 . 4.51 229 195 A 21 CYS HBx A 26 ILE H 1.0 . 4.54 230 196 A 21 CYS HBy A 26 ILE H 1.0 . 4.39 231 197 A 21 CYS HBy A 24 CYS HA 1.0 . 4.63 232 198 A 27 LEU H A 26 ILE HD1% 1.0 . 3.90 233 199 A 26 ILE H A 26 ILE HD1% 1.0 . 4.70 234 200 A 27 LEU HDy% A 28 LEU H 1.0 . 5.37 235 201 A 27 LEU HDx% A 28 LEU H 1.0 . 5.50 236 202 A 26 ILE HA A 27 LEU HBx 1.0 . 4.34 237 202 A 26 ILE HA A 27 LEU HBy 1.0 . 4.34 238 203 A 28 LEU HDy% A 26 ILE HD1% 1.0 . 3.72 239 204 A 26 ILE HD1% A 28 LEU HDx% 1.0 . 3.53 240 205 A 26 ILE HB A 26 ILE HD1% 1.0 . 3.68 241 206 A 26 ILE HG2% A 26 ILE HG1y 1.0 . 3.72 242 207 A 28 LEU HBy A 28 LEU HDx% 1.0 . 4.14 243 208 A 36 HIS H A 28 LEU HDy% 1.0 . 4.59 244 209 A 28 LEU HDx% A 32 ILE HB 1.0 . 4.03 245 210 A 33 LEU HBy A 28 LEU HDx% 1.0 . 4.49 246 211 A 28 LEU HDx% A 29 PRO HDx 1.0 . 3.70 247 212 A 29 PRO HDy A 28 LEU HDx% 1.0 . 3.83 248 213 A 26 ILE HA A 28 LEU HDx% 1.0 . 5.36 249 214 A 34 ASN HA A 33 LEU HDx% 1.0 . 5.50 250 215 A 36 HIS H A 28 LEU HDx% 1.0 . 5.39 251 216 A 29 PRO HDx A 28 LEU HG 1.0 . 5.00 252 217 A 29 PRO HDy A 28 LEU HBx 1.0 . 5.06 253 218 A 30 LEU HA A 30 LEU HDx% 1.0 . 4.35 254 219 A 30 LEU H A 30 LEU HG 1.0 . 4.54 255 220 A 30 LEU H A 31 PRO HDx 1.0 . 4.97 256 221 A 32 ILE HD1% A 29 PRO HGy 1.0 . 3.70 257 222 A 32 ILE HD1% A 32 ILE HB 1.0 . 4.04 258 223 A 32 ILE HD1% A 29 PRO HBx 1.0 . 4.63 259 224 A 32 ILE HD1% A 31 PRO HGx 1.0 . 4.84 260 225 A 32 ILE HA A 32 ILE HD1% 1.0 . 4.39 261 226 A 33 LEU H A 32 ILE HG2% 1.0 . 4.29 262 227 A 32 ILE H A 32 ILE HG2% 1.0 . 4.13 263 228 A 32 ILE HA A 32 ILE HG2% 1.0 . 3.48 264 229 A 35 GLN HA A 35 GLN HGy 1.0 . 3.87 265 230 A 35 GLN H A 35 GLN HGy 1.0 . 4.92 266 231 A 35 GLN H A 35 GLN HGx 1.0 . 5.41 267 232 A 41 ARG H A 40 CYS HBx 1.0 . 4.35 268 233 A 38 GLU H A 38 GLU HGy 1.0 . 4.32 269 234 A 38 GLU HA A 38 GLU HGy 1.0 . 4.24 270 235 A 38 GLU HA A 38 GLU HGx 1.0 . 4.24 271 236 A 41 ARG H A 40 CYS HBy 1.0 . 4.35 272 237 A 40 CYS H A 40 CYS HBy 1.0 . 3.84 273 238 A 40 CYS H A 40 CYS HBx 1.0 . 3.84 274 239 A 37 GLN HA A 40 CYS HBy 1.0 . 4.30 275 240 A 37 GLN HA A 40 CYS HBx 1.0 . 4.30 276 241 A 12 LYS HDy A 12 LYS HGx 1.0 . 2.87 277 241 A 12 LYS HDx A 12 LYS HGx 1.0 . 2.87 278 241 A 12 LYS HGy A 12 LYS HDx 1.0 . 2.87 279 241 A 12 LYS HDy A 12 LYS HGy 1.0 . 2.87 280 242 A 41 ARG HA A 41 ARG HGx 1.0 . 3.89 281 242 A 41 ARG HA A 41 ARG HGy 1.0 . 3.89 282 243 A 44 ALA HB% A 41 ARG HA 1.0 . 4.09 283 244 A 41 ARG HA A 41 ARG HDx 1.0 . 4.23 284 244 A 41 ARG HA A 41 ARG HDy 1.0 . 4.23 285 245 A 52 ARG HBx A 52 ARG HDx 1.0 . 3.50 286 245 A 52 ARG HBy A 52 ARG HDx 1.0 . 3.50 287 245 A 52 ARG HDy A 52 ARG HBx 1.0 . 3.50 288 245 A 52 ARG HBy A 52 ARG HDy 1.0 . 3.50 289 246 A 42 TRP HE3 A 42 TRP HA 1.0 . 4.40 290 247 A 42 TRP HD1 A 42 TRP HA 1.0 . 4.38 291 248 A 41 ARG H A 41 ARG HGx 1.0 . 4.57 292 248 A 41 ARG H A 41 ARG HGy 1.0 . 4.57 293 249 A 42 TRP HA A 45 SER HBx 1.0 . 4.12 294 249 A 42 TRP HA A 45 SER HBy 1.0 . 4.12 295 250 A 43 LEU HDx% A 43 LEU HBx 1.0 . 3.75 296 251 A 43 LEU HBy A 43 LEU HDx% 1.0 . 3.75 297 252 A 43 LEU HBy A 43 LEU HDy% 1.0 . 3.75 298 253 A 43 LEU HBx A 43 LEU HDy% 1.0 . 3.75 299 254 A 43 LEU H A 43 LEU HDy% 1.0 . 4.83 300 255 A 44 ALA HB% A 45 SER HBx 1.0 . 4.19 301 255 A 44 ALA HB% A 45 SER HBy 1.0 . 4.19 302 256 A 44 ALA HB% A 44 ALA H 1.0 . 3.42 303 257 A 41 ARG H A 44 ALA HB% 1.0 . 4.73 304 258 A 49 LYS HA A 49 LYS HDx 1.0 . 4.08 305 258 A 49 LYS HA A 49 LYS HDy 1.0 . 4.08 306 259 A 12 LYS HEy A 12 LYS HGx 1.0 . 4.04 307 259 A 12 LYS HEx A 12 LYS HGx 1.0 . 4.04 308 259 A 12 LYS HGy A 12 LYS HEx 1.0 . 4.04 309 259 A 12 LYS HGy A 12 LYS HEy 1.0 . 4.04 310 260 A 50 GLN HA A 51 VAL HGx% 1.0 . 4.58 311 261 A 49 LYS HA A 49 LYS HGx 1.0 . 3.91 312 261 A 49 LYS HGy A 49 LYS HA 1.0 . 3.91 313 262 A 51 VAL H A 50 GLN HA 1.0 . 3.38 314 263 A 51 VAL HA A 51 VAL HGy% 1.0 . 3.80 315 264 A 5 THR HA A 5 THR HG2% 1.0 . 3.82 316 265 A 21 CYS HBx A 26 ILE HG2% 1.0 . 4.12 317 266 A 26 ILE HA A 26 ILE HG2% 1.0 . 3.55 318 267 A 26 ILE HG2% A 27 LEU HA 1.0 . 4.42 319 268 A 20 ARG HA A 27 LEU HA 1.0 . 4.10 320 269 A 30 LEU HA A 30 LEU HDy% 1.0 . 4.35 321 270 A 32 ILE HD1% A 29 PRO HBy 1.0 . 4.47 322 271 A 28 LEU HDy% A 32 ILE HG2% 1.0 . 3.92 323 272 A 28 LEU HDx% A 32 ILE HG2% 1.0 . 3.65 324 273 A 32 ILE HG2% A 32 ILE HG1y 1.0 . 3.82 325 274 A 32 ILE HG2% A 28 LEU HG 1.0 . 4.14 326 275 A 50 GLN H A 49 LYS HDx 1.0 . 3.60 327 275 A 50 GLN H A 49 LYS HDy 1.0 . 3.60 328 276 A 20 ARG H A 27 LEU HG 1.0 . 4.81 329 277 A 47 LYS H A 48 GLY H 1.0 . 4.01 330 278 A 49 LYS H A 49 LYS HDx 1.0 . 4.44 331 278 A 49 LYS HDy A 49 LYS H 1.0 . 4.44 332 279 A 47 LYS H A 45 SER HA 1.0 . 4.26 333 280 A 47 LYS H A 47 LYS HDx 1.0 . 4.49 334 280 A 47 LYS H A 47 LYS HDy 1.0 . 4.49 335 281 A 42 TRP HBx A 42 TRP HE1 1.0 . 4.81 336 282 A 42 TRP H A 38 GLU HA 1.0 . 4.21 337 283 A 42 TRP H A 39 LYS HDx 1.0 . 4.92 338 283 A 42 TRP H A 39 LYS HDy 1.0 . 4.92 339 284 A 43 LEU H A 39 LYS HGx 1.0 . 4.64 340 284 A 43 LEU H A 39 LYS HGy 1.0 . 4.64 341 285 A 43 LEU H A 39 LYS HDx 1.0 . 3.57 342 285 A 43 LEU H A 39 LYS HDy 1.0 . 3.57 343 286 A 43 LEU H A 41 ARG HA 1.0 . 4.77 344 287 A 43 LEU H A 39 LYS HA 1.0 . 4.39 345 288 A 43 LEU HG A 44 ALA H 1.0 . 4.75 346 289 A 42 TRP H A 39 LYS HA 1.0 . 3.56 347 290 A 41 ARG H A 39 LYS HA 1.0 . 4.51 348 291 A 33 LEU H A 32 ILE HD1% 1.0 . 4.60 349 292 A 33 LEU H A 33 LEU HG 1.0 . 5.02 350 293 A 40 CYS H A 39 LYS HDx 1.0 . 5.22 351 293 A 39 LYS HDy A 40 CYS H 1.0 . 5.22 352 294 A 33 LEU H A 33 LEU HBx 1.0 . 3.54 353 295 A 40 CYS H A 39 LYS HBx 1.0 . 3.61 354 295 A 40 CYS H A 39 LYS HBy 1.0 . 3.61 355 296 A 40 CYS H A 39 LYS HEx 1.0 . 4.12 356 296 A 40 CYS H A 39 LYS HEy 1.0 . 4.12 357 297 A 39 LYS H A 35 GLN HA 1.0 . 4.38 358 298 A 39 LYS H A 39 LYS HBx 1.0 . 3.68 359 298 A 39 LYS H A 39 LYS HBy 1.0 . 3.68 360 299 A 39 LYS H A 35 GLN HGy 1.0 . 5.50 361 300 A 39 LYS H A 35 GLN HGx 1.0 . 5.50 362 301 A 38 GLU H A 39 LYS HBx 1.0 . 4.45 363 301 A 38 GLU H A 39 LYS HBy 1.0 . 4.45 364 302 A 38 GLU H A 35 GLN HA 1.0 . 3.79 365 303 A 37 GLN H A 35 GLN HA 1.0 . 4.40 366 304 A 37 GLN H A 36 HIS HBx 1.0 . 4.31 367 305 A 37 GLN H A 37 GLN HBx 1.0 . 3.72 368 306 A 37 GLN H A 34 ASN HBx 1.0 . 4.97 369 306 A 37 GLN H A 34 ASN HBy 1.0 . 4.97 370 307 A 36 HIS H A 36 HIS HBx 1.0 . 3.67 371 308 A 34 ASN H A 31 PRO HA 1.0 . 4.48 372 309 A 30 LEU H A 33 LEU H 1.0 . 4.35 373 310 A 32 ILE H A 32 ILE HD1% 1.0 . 4.28 374 311 A 32 ILE H A 31 PRO HGy 1.0 . 3.80 375 312 A 32 ILE H A 32 ILE HG1y 1.0 . 4.21 376 313 A 28 LEU HBy A 32 ILE H 1.0 . 3.97 377 314 A 32 ILE H A 29 PRO HBy 1.0 . 4.79 378 315 A 30 LEU H A 28 LEU HDx% 1.0 . 5.03 379 316 A 30 LEU H A 31 PRO HGy 1.0 . 3.73 380 317 A 30 LEU H A 30 LEU HBy 1.0 . 3.91 381 318 A 13 ALA H A 12 LYS HGx 1.0 . 3.71 382 318 A 13 ALA H A 12 LYS HGy 1.0 . 3.71 383 319 A 19 ARG HA A 28 LEU H 1.0 . 4.77 384 320 A 18 LEU HA A 28 LEU H 1.0 . 4.54 385 321 A 28 LEU HDx% A 28 LEU H 1.0 . 3.69 386 322 A 18 LEU HDy% A 28 LEU H 1.0 . 4.21 387 323 A 28 LEU H A 27 LEU HBx 1.0 . 3.58 388 323 A 27 LEU HBy A 28 LEU H 1.0 . 3.58 389 324 A 27 LEU HDx% A 27 LEU H 1.0 . 3.79 390 325 A 27 LEU H A 26 ILE HG2% 1.0 . 4.30 391 326 A 27 LEU H A 27 LEU HG 1.0 . 4.25 392 327 A 23 GLN H A 26 ILE H 1.0 . 5.50 393 328 A 26 ILE H A 24 CYS HBx 1.0 . 4.39 394 328 A 26 ILE H A 24 CYS HBy 1.0 . 4.39 395 329 A 27 LEU HDx% A 26 ILE H 1.0 . 4.25 396 330 A 26 ILE H A 26 ILE HG1y 1.0 . 4.82 397 331 A 14 ALA H A 12 LYS HBx 1.0 . 4.08 398 331 A 12 LYS HBy A 14 ALA H 1.0 . 4.08 399 332 A 25 GLY H A 24 CYS HBx 1.0 . 3.99 400 332 A 25 GLY H A 24 CYS HBy 1.0 . 3.99 401 333 A 21 CYS HBx A 24 CYS H 1.0 . 4.13 402 334 A 24 CYS H A 22 SER HBx 1.0 . 5.27 403 334 A 24 CYS H A 22 SER HBy 1.0 . 5.27 404 335 A 14 ALA H A 12 LYS HGx 1.0 . 3.34 405 335 A 14 ALA H A 12 LYS HGy 1.0 . 3.34 406 336 A 23 GLN H A 22 SER HBx 1.0 . 4.05 407 336 A 23 GLN H A 22 SER HBy 1.0 . 4.05 408 337 A 23 GLN H A 21 CYS HBx 1.0 . 4.41 409 338 A 15 TYR H A 17 ILE H 1.0 . 4.42 410 339 A 18 LEU H A 16 ASP H 1.0 . 4.64 411 340 A 21 CYS H A 26 ILE H 1.0 . 4.25 412 341 A 21 CYS H A 24 CYS HBx 1.0 . 4.06 413 341 A 21 CYS H A 24 CYS HBy 1.0 . 4.06 414 342 A 21 CYS H A 26 ILE HG2% 1.0 . 4.10 415 343 A 21 CYS H A 27 LEU HG 1.0 . 4.96 416 344 A 19 ARG H A 27 LEU HA 1.0 . 4.23 417 345 A 19 ARG H A 28 LEU HA 1.0 . 4.68 418 346 A 19 ARG H A 29 PRO HA 1.0 . 4.49 419 347 A 19 ARG H A 18 LEU HBy 1.0 . 3.72 420 348 A 19 ARG H A 27 LEU HBx 1.0 . 3.96 421 348 A 19 ARG H A 27 LEU HBy 1.0 . 3.96 422 349 A 19 ARG H A 28 LEU HBx 1.0 . 4.11 423 350 A 18 LEU H A 17 ILE HG1x 1.0 . 4.55 424 351 A 18 LEU H A 18 LEU HG 1.0 . 3.78 425 352 A 18 LEU H A 29 PRO HA 1.0 . 5.14 426 353 A 16 ASP H A 14 ALA HA 1.0 . 4.02 427 354 A 36 HIS H A 35 GLN HGx 1.0 . 3.79 428 355 A 17 ILE H A 14 ALA HA 1.0 . 4.65 429 356 A 17 ILE H A 17 ILE HG1x 1.0 . 4.51 430 357 A 18 LEU HBx A 17 ILE H 1.0 . 4.55 431 358 A 13 ALA H A 14 ALA H 1.0 . 3.70 432 359 A 15 TYR H A 14 ALA H 1.0 . 3.56 433 360 A 15 TYR H A 16 ASP H 1.0 . 3.64 434 361 A 16 ASP H A 17 ILE H 1.0 . 3.43 435 362 A 18 LEU H A 17 ILE H 1.0 . 3.97 436 363 A 19 ARG H A 18 LEU H 1.0 . 4.71 437 364 A 19 ARG H A 20 ARG H 1.0 . 4.50 438 365 A 21 CYS H A 24 CYS H 1.0 . 4.53 439 366 A 21 CYS H A 25 GLY H 1.0 . 4.09 440 367 A 22 SER H A 23 GLN H 1.0 . 3.84 441 368 A 22 SER H A 24 CYS H 1.0 . 4.36 442 369 A 22 SER H A 25 GLY H 1.0 . 4.92 443 370 A 23 GLN H A 24 CYS H 1.0 . 3.52 444 371 A 24 CYS H A 25 GLY H 1.0 . 3.42 445 372 A 24 CYS H A 26 ILE H 1.0 . 4.23 446 373 A 23 GLN H A 25 GLY H 1.0 . 4.11 447 374 A 26 ILE H A 25 GLY H 1.0 . 3.76 448 375 A 26 ILE H A 27 LEU H 1.0 . 4.77 449 376 A 19 ARG H A 28 LEU H 1.0 . 3.06 450 377 A 27 LEU H A 28 LEU H 1.0 . 4.53 451 378 A 34 ASN H A 32 ILE H 1.0 . 4.62 452 379 A 33 LEU H A 32 ILE H 1.0 . 3.33 453 380 A 34 ASN H A 35 GLN H 1.0 . 4.25 454 381 A 34 ASN H A 33 LEU H 1.0 . 3.84 455 382 A 37 GLN H A 35 GLN H 1.0 . 4.40 456 383 A 37 GLN H A 38 GLU H 1.0 . 3.70 457 384 A 37 GLN H A 40 CYS H 1.0 . 4.83 458 385 A 37 GLN H A 36 HIS H 1.0 . 3.36 459 386 A 37 GLN H A 36 HIS HD2 1.0 . 4.31 460 387 A 37 GLN H A 39 LYS H 1.0 . 4.71 461 388 A 38 GLU H A 39 LYS H 1.0 . 3.39 462 389 A 39 LYS H A 40 CYS H 1.0 . 3.57 463 390 A 38 GLU H A 40 CYS H 1.0 . 4.59 464 391 A 41 ARG H A 39 LYS H 1.0 . 4.28 465 392 A 41 ARG H A 40 CYS H 1.0 . 4.10 466 393 A 42 TRP H A 40 CYS H 1.0 . 4.60 467 394 A 43 LEU H A 42 TRP H 1.0 . 3.70 468 395 A 43 LEU H A 44 ALA H 1.0 . 3.96 469 396 A 45 SER H A 44 ALA H 1.0 . 4.13 470 397 A 4 PHE H A 3 GLU HBx 1.0 . 3.88 471 397 A 3 GLU HBy A 4 PHE H 1.0 . 3.88 472 398 A 4 PHE H A 4 PHE HBx 1.0 . 3.67 473 398 A 4 PHE H A 4 PHE HBy 1.0 . 3.67 474 399 A 9 ARG H A 8 PRO HBx 1.0 . 4.08 475 399 A 9 ARG H A 8 PRO HBy 1.0 . 4.08 476 400 A 15 TYR H A 15 TYR HBy 1.0 . 3.40 477 400 A 15 TYR H A 15 TYR HBx 1.0 . 3.40 478 401 A 18 LEU HDy% A 29 PRO HGy 1.0 . 4.16 479 401 A 18 LEU HDy% A 29 PRO HGx 1.0 . 4.16 480 402 A 19 ARG H A 19 ARG HBx 1.0 . 3.44 481 402 A 19 ARG H A 19 ARG HBy 1.0 . 3.44 482 403 A 19 ARG H A 33 LEU HDy% 1.0 . 4.29 483 403 A 19 ARG H A 33 LEU HDx% 1.0 . 4.29 484 404 A 19 ARG HA A 19 ARG HDy 1.0 . 4.08 485 404 A 19 ARG HA A 19 ARG HDx 1.0 . 4.08 486 405 A 20 ARG H A 19 ARG HBx 1.0 . 4.26 487 405 A 20 ARG H A 19 ARG HBy 1.0 . 4.26 488 406 A 19 ARG HBy A 33 LEU HDy% 1.0 . 3.69 489 406 A 19 ARG HBx A 33 LEU HDy% 1.0 . 3.69 490 406 A 33 LEU HDx% A 19 ARG HBx 1.0 . 3.69 491 406 A 19 ARG HBy A 33 LEU HDx% 1.0 . 3.69 492 407 A 20 ARG H A 19 ARG HDy 1.0 . 3.98 493 407 A 20 ARG H A 19 ARG HDx 1.0 . 3.98 494 408 A 19 ARG HDy A 20 ARG HBx 1.0 . 5.13 495 408 A 19 ARG HDx A 20 ARG HBx 1.0 . 5.13 496 408 A 20 ARG HBy A 19 ARG HDy 1.0 . 5.13 497 408 A 19 ARG HDx A 20 ARG HBy 1.0 . 5.13 498 409 A 19 ARG HDy A 33 LEU HDy% 1.0 . 3.81 499 409 A 19 ARG HDx A 33 LEU HDy% 1.0 . 3.81 500 409 A 33 LEU HDx% A 19 ARG HDy 1.0 . 3.81 501 409 A 33 LEU HDx% A 19 ARG HDx 1.0 . 3.81 502 410 A 20 ARG H A 20 ARG HBx 1.0 . 3.46 503 410 A 20 ARG H A 20 ARG HBy 1.0 . 3.46 504 411 A 20 ARG H A 20 ARG HGy 1.0 . 3.88 505 411 A 20 ARG H A 20 ARG HGx 1.0 . 3.88 506 412 A 20 ARG HA A 20 ARG HGy 1.0 . 3.72 507 412 A 20 ARG HA A 20 ARG HGx 1.0 . 3.72 508 413 A 20 ARG HA A 33 LEU HDy% 1.0 . 4.87 509 413 A 20 ARG HA A 33 LEU HDx% 1.0 . 4.87 510 414 A 20 ARG HBx A 20 ARG HDx 1.0 . 3.32 511 414 A 20 ARG HBy A 20 ARG HDx 1.0 . 3.32 512 414 A 20 ARG HDy A 20 ARG HBx 1.0 . 3.32 513 414 A 20 ARG HBy A 20 ARG HDy 1.0 . 3.32 514 415 A 21 CYS H A 20 ARG HBx 1.0 . 3.71 515 415 A 21 CYS H A 20 ARG HBy 1.0 . 3.71 516 416 A 25 GLY H A 20 ARG HBx 1.0 . 5.24 517 416 A 25 GLY H A 20 ARG HBy 1.0 . 5.24 518 417 A 27 LEU HG A 20 ARG HBx 1.0 . 3.67 519 417 A 27 LEU HG A 20 ARG HBy 1.0 . 3.67 520 418 A 27 LEU HDx% A 20 ARG HDx 1.0 . 4.52 521 418 A 27 LEU HDx% A 20 ARG HDy 1.0 . 4.52 522 419 A 27 LEU HDy% A 20 ARG HDx 1.0 . 4.40 523 419 A 27 LEU HDy% A 20 ARG HDy 1.0 . 4.40 524 420 A 21 CYS HBx A 33 LEU HDy% 1.0 . 4.38 525 420 A 21 CYS HBx A 33 LEU HDx% 1.0 . 4.38 526 421 A 23 GLN HBy A 23 GLN HE2x 1.0 . 3.84 527 421 A 23 GLN HE2y A 23 GLN HBx 1.0 . 3.84 528 421 A 23 GLN HE2x A 23 GLN HBx 1.0 . 3.84 529 421 A 23 GLN HBy A 23 GLN HE2y 1.0 . 3.84 530 422 A 44 ALA HB% A 23 GLN HE2y 1.0 . 4.29 531 422 A 44 ALA HB% A 23 GLN HE2x 1.0 . 4.29 532 423 A 26 ILE H A 26 ILE HG1y 1.0 . 4.23 533 423 A 26 ILE H A 26 ILE HG1x 1.0 . 4.23 534 424 A 27 LEU H A 26 ILE HG1y 1.0 . 4.01 535 424 A 27 LEU H A 26 ILE HG1x 1.0 . 4.01 536 425 A 28 LEU HDx% A 26 ILE HG1y 1.0 . 3.52 537 425 A 28 LEU HDx% A 26 ILE HG1x 1.0 . 3.52 538 426 A 27 LEU HA A 33 LEU HDy% 1.0 . 4.74 539 426 A 27 LEU HA A 33 LEU HDx% 1.0 . 4.74 540 427 A 28 LEU H A 33 LEU HDy% 1.0 . 3.94 541 427 A 28 LEU H A 33 LEU HDx% 1.0 . 3.94 542 428 A 28 LEU HBx A 33 LEU HDy% 1.0 . 4.34 543 428 A 28 LEU HBx A 33 LEU HDx% 1.0 . 4.34 544 429 A 28 LEU HBy A 33 LEU HDy% 1.0 . 4.15 545 429 A 28 LEU HBy A 33 LEU HDx% 1.0 . 4.15 546 430 A 28 LEU HDy% A 33 LEU HDy% 1.0 . 3.36 547 430 A 28 LEU HDy% A 33 LEU HDx% 1.0 . 3.36 548 431 A 28 LEU HDy% A 36 HIS HBy 1.0 . 3.48 549 431 A 28 LEU HDy% A 36 HIS HBx 1.0 . 3.48 550 432 A 29 PRO HBy A 31 PRO HDx 1.0 . 3.12 551 432 A 29 PRO HBy A 31 PRO HDy 1.0 . 3.12 552 433 A 32 ILE H A 29 PRO HGy 1.0 . 4.30 553 433 A 32 ILE H A 29 PRO HGx 1.0 . 4.30 554 434 A 29 PRO HDy A 32 ILE HG1x 1.0 . 5.34 555 434 A 29 PRO HDy A 32 ILE HG1y 1.0 . 5.34 556 435 A 30 LEU H A 30 LEU HBx 1.0 . 3.39 557 435 A 30 LEU H A 30 LEU HBy 1.0 . 3.39 558 436 A 30 LEU H A 30 LEU HDy% 1.0 . 4.64 559 436 A 30 LEU H A 30 LEU HDx% 1.0 . 4.64 560 437 A 30 LEU H A 31 PRO HBy 1.0 . 5.34 561 437 A 30 LEU H A 31 PRO HBx 1.0 . 5.34 562 438 A 30 LEU H A 31 PRO HDx 1.0 . 4.18 563 438 A 30 LEU H A 31 PRO HDy 1.0 . 4.18 564 439 A 30 LEU HA A 30 LEU HDy% 1.0 . 3.51 565 439 A 30 LEU HA A 30 LEU HDx% 1.0 . 3.51 566 440 A 30 LEU HA A 33 LEU HDy% 1.0 . 4.35 567 440 A 30 LEU HA A 33 LEU HDx% 1.0 . 4.35 568 441 A 30 LEU HBx A 31 PRO HDx 1.0 . 3.25 569 441 A 30 LEU HBy A 31 PRO HDx 1.0 . 3.25 570 441 A 31 PRO HDy A 30 LEU HBx 1.0 . 3.25 571 441 A 31 PRO HDy A 30 LEU HBy 1.0 . 3.25 572 442 A 30 LEU HDy% A 31 PRO HDx 1.0 . 4.19 573 442 A 30 LEU HDx% A 31 PRO HDx 1.0 . 4.19 574 442 A 31 PRO HDy A 30 LEU HDy% 1.0 . 4.19 575 442 A 31 PRO HDy A 30 LEU HDx% 1.0 . 4.19 576 443 A 32 ILE H A 31 PRO HBy 1.0 . 3.93 577 443 A 32 ILE H A 31 PRO HBx 1.0 . 3.93 578 444 A 32 ILE H A 31 PRO HDx 1.0 . 4.32 579 444 A 32 ILE H A 31 PRO HDy 1.0 . 4.32 580 445 A 32 ILE HD1% A 31 PRO HDx 1.0 . 4.27 581 445 A 32 ILE HD1% A 31 PRO HDy 1.0 . 4.27 582 446 A 32 ILE H A 32 ILE HG1x 1.0 . 3.57 583 446 A 32 ILE H A 32 ILE HG1y 1.0 . 3.57 584 447 A 32 ILE HA A 32 ILE HG1x 1.0 . 3.73 585 447 A 32 ILE HA A 32 ILE HG1y 1.0 . 3.73 586 448 A 33 LEU H A 33 LEU HDy% 1.0 . 4.06 587 448 A 33 LEU H A 33 LEU HDx% 1.0 . 4.06 588 449 A 33 LEU HA A 33 LEU HDy% 1.0 . 3.33 589 449 A 33 LEU HA A 33 LEU HDx% 1.0 . 3.33 590 450 A 34 ASN HA A 33 LEU HDy% 1.0 . 4.84 591 450 A 34 ASN HA A 33 LEU HDx% 1.0 . 4.84 592 451 A 36 HIS H A 33 LEU HDy% 1.0 . 5.10 593 451 A 36 HIS H A 33 LEU HDx% 1.0 . 5.10 594 452 A 33 LEU HDy% A 36 HIS HBy 1.0 . 3.91 595 452 A 33 LEU HDx% A 36 HIS HBy 1.0 . 3.91 596 452 A 36 HIS HBx A 33 LEU HDy% 1.0 . 3.91 597 452 A 33 LEU HDx% A 36 HIS HBx 1.0 . 3.91 598 453 A 36 HIS HD2 A 33 LEU HDy% 1.0 . 3.71 599 453 A 36 HIS HD2 A 33 LEU HDx% 1.0 . 3.71 600 454 A 33 LEU HDx% A 37 GLN HGy 1.0 . 5.00 601 454 A 37 GLN HGx A 33 LEU HDy% 1.0 . 5.00 602 454 A 33 LEU HDx% A 37 GLN HGx 1.0 . 5.00 603 454 A 33 LEU HDy% A 37 GLN HGy 1.0 . 5.00 604 455 A 33 LEU HDx% A 37 GLN HE2x 1.0 . 4.19 605 455 A 33 LEU HDy% A 37 GLN HE2x 1.0 . 4.19 606 455 A 37 GLN HE2y A 33 LEU HDy% 1.0 . 4.19 607 455 A 33 LEU HDx% A 37 GLN HE2y 1.0 . 4.19 608 456 A 34 ASN HA A 37 GLN HE2x 1.0 . 5.34 609 456 A 34 ASN HA A 37 GLN HE2y 1.0 . 5.34 610 457 A 34 ASN HBx A 37 GLN HBx 1.0 . 4.98 611 457 A 34 ASN HBy A 37 GLN HBx 1.0 . 4.98 612 457 A 37 GLN HBy A 34 ASN HBx 1.0 . 4.98 613 457 A 34 ASN HBy A 37 GLN HBy 1.0 . 4.98 614 458 A 35 GLN H A 34 ASN HD2x 1.0 . 5.25 615 458 A 35 GLN H A 34 ASN HD2y 1.0 . 5.25 616 459 A 35 GLN H A 35 GLN HE2x 1.0 . 5.34 617 459 A 35 GLN H A 35 GLN HE2y 1.0 . 5.34 618 460 A 35 GLN H A 38 GLU HGx 1.0 . 4.37 619 460 A 35 GLN H A 38 GLU HGy 1.0 . 4.37 620 461 A 36 HIS H A 38 GLU HGx 1.0 . 4.88 621 461 A 36 HIS H A 38 GLU HGy 1.0 . 4.88 622 462 A 37 GLN H A 36 HIS HBy 1.0 . 3.57 623 462 A 37 GLN H A 36 HIS HBx 1.0 . 3.57 624 463 A 36 HIS HD2 A 37 GLN HBx 1.0 . 5.19 625 463 A 36 HIS HD2 A 37 GLN HBy 1.0 . 5.19 626 464 A 36 HIS HD2 A 37 GLN HE2x 1.0 . 3.90 627 464 A 36 HIS HD2 A 37 GLN HE2y 1.0 . 3.90 628 465 A 36 HIS HD2 A 40 CYS HBy 1.0 . 3.32 629 465 A 36 HIS HD2 A 40 CYS HBx 1.0 . 3.32 630 466 A 37 GLN H A 38 GLU HGx 1.0 . 4.82 631 466 A 37 GLN H A 38 GLU HGy 1.0 . 4.82 632 467 A 37 GLN HA A 40 CYS HBy 1.0 . 3.62 633 467 A 37 GLN HA A 40 CYS HBx 1.0 . 3.62 634 468 A 37 GLN HBx A 37 GLN HE2x 1.0 . 4.37 635 468 A 37 GLN HBy A 37 GLN HE2x 1.0 . 4.37 636 468 A 37 GLN HE2y A 37 GLN HBx 1.0 . 4.37 637 468 A 37 GLN HE2y A 37 GLN HBy 1.0 . 4.37 638 469 A 38 GLU H A 37 GLN HBx 1.0 . 3.29 639 469 A 38 GLU H A 37 GLN HBy 1.0 . 3.29 640 470 A 38 GLU H A 38 GLU HBx 1.0 . 3.23 641 470 A 38 GLU H A 38 GLU HBy 1.0 . 3.23 642 471 A 39 LYS H A 38 GLU HBx 1.0 . 3.82 643 471 A 39 LYS H A 38 GLU HBy 1.0 . 3.82 644 472 A 39 LYS H A 38 GLU HGx 1.0 . 3.84 645 472 A 39 LYS H A 38 GLU HGy 1.0 . 3.84 646 473 A 39 LYS H A 40 CYS HBy 1.0 . 4.99 647 473 A 39 LYS H A 40 CYS HBx 1.0 . 4.99 648 474 A 39 LYS H A 41 ARG HBx 1.0 . 4.78 649 474 A 39 LYS H A 41 ARG HBy 1.0 . 4.78 650 475 A 41 ARG HBx A 41 ARG HDx 1.0 . 3.62 651 475 A 41 ARG HBy A 41 ARG HDx 1.0 . 3.62 652 475 A 41 ARG HDy A 41 ARG HBx 1.0 . 3.62 653 475 A 41 ARG HDy A 41 ARG HBy 1.0 . 3.62 654 476 A 44 ALA HB% A 41 ARG HBx 1.0 . 5.23 655 476 A 44 ALA HB% A 41 ARG HBy 1.0 . 5.23 656 477 A 42 TRP HE3 A 43 LEU HBx 1.0 . 4.71 657 477 A 42 TRP HE3 A 43 LEU HBy 1.0 . 4.71 658 478 A 42 TRP HE3 A 43 LEU HDy% 1.0 . 3.96 659 478 A 42 TRP HE3 A 43 LEU HDx% 1.0 . 3.96 660 479 A 42 TRP HZ3 A 43 LEU HDy% 1.0 . 4.02 661 479 A 43 LEU HDx% A 42 TRP HZ3 1.0 . 4.02 662 480 A 43 LEU H A 43 LEU HDy% 1.0 . 3.94 663 480 A 43 LEU H A 43 LEU HDx% 1.0 . 3.94 664 481 A 43 LEU HA A 43 LEU HDy% 1.0 . 3.38 665 481 A 43 LEU HA A 43 LEU HDx% 1.0 . 3.38 666 482 A 44 ALA H A 43 LEU HBx 1.0 . 3.39 667 482 A 44 ALA H A 43 LEU HBy 1.0 . 3.39 668 483 A 44 ALA HB% A 43 LEU HBx 1.0 . 5.34 669 483 A 44 ALA HB% A 43 LEU HBy 1.0 . 5.34 670 484 A 45 SER H A 43 LEU HBx 1.0 . 4.90 671 484 A 45 SER H A 43 LEU HBy 1.0 . 4.90 672 485 A 50 GLN HA A 51 VAL HGy% 1.0 . 3.94 673 485 A 50 GLN HA A 51 VAL HGx% 1.0 . 3.94 674 486 A 51 VAL H A 51 VAL HGy% 1.0 . 4.25 675 486 A 51 VAL H A 51 VAL HGx% 1.0 . 4.25 676 487 A 52 ARG H A 51 VAL HGy% 1.0 . 4.48 677 487 A 52 ARG H A 51 VAL HGx% 1.0 . 4.48 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 undefined _nef_distance_restraint_list.potential_type . save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _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 19 ARG H A 28 LEU O 1.0 . 2.0 2 2 A 28 LEU O A 19 ARG N 1.0 . 3.0 3 3 A 37 GLN H A 33 LEU O 1.0 . 2.0 4 4 A 33 LEU O A 37 GLN N 1.0 . 3.0 5 5 A 38 GLU H A 34 ASN O 1.0 . 2.0 6 6 A 34 ASN O A 38 GLU N 1.0 . 3.0 7 7 A 39 LYS H A 35 GLN O 1.0 . 2.0 8 8 A 35 GLN O A 39 LYS N 1.0 . 3.0 9 9 A 40 CYS H A 36 HIS O 1.0 . 2.0 10 10 A 36 HIS O A 40 CYS N 1.0 . 3.0 11 11 A 41 ARG H A 37 GLN O 1.0 . 2.0 12 12 A 37 GLN O A 41 ARG N 1.0 . 3.0 13 13 A 42 TRP H A 38 GLU O 1.0 . 2.0 14 14 A 38 GLU O A 42 TRP N 1.0 . 3.0 15 15 A 43 LEU H A 39 LYS O 1.0 . 2.0 16 16 A 39 LYS O A 43 LEU N 1.0 . 3.0 17 17 A 44 ALA H A 40 CYS O 1.0 . 2.0 18 18 A 40 CYS O A 44 ALA N 1.0 . 3.0 19 19 A 45 SER H A 41 ARG O 1.0 . 2.0 20 20 A 41 ARG O A 45 SER N 1.0 . 3.0 21 21 A 46 SER H A 42 TRP O 1.0 . 2.0 22 22 A 42 TRP O A 46 SER N 1.0 . 3.0 23 23 A 47 LYS H A 43 LEU O 1.0 . 2.0 24 24 A 43 LEU O A 47 LYS N 1.0 . 3.0 stop_ save_