data_nef_c30522_6mk5 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6MK5 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 2 CYS SG 1 17 CYS SG 1 9 CYS SG 1 23 CYS SG 1 16 CYS SG 1 30 CYS SG 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 ASP start . . 2 A 2 CYS middle -HG . 3 A 3 LEU middle . . 4 A 4 GLY middle . false 5 A 5 ALA middle . . 6 A 6 PHE middle . . 7 A 7 ARG middle . . 8 A 8 LYS middle . . 9 A 9 CYS middle -HG . 10 A 10 ILE middle . . 11 A 11 PRO middle . false 12 A 12 ASP middle . . 13 A 13 ASN middle . . 14 A 14 ASP middle . . 15 A 15 LYS middle . . 16 A 16 CYS middle -HG . 17 A 17 CYS middle -HG . 18 A 18 ARG middle . . 19 A 19 PRO middle . true 20 A 20 ASN middle . . 21 A 21 LEU middle . . 22 A 22 VAL middle . . 23 A 23 CYS middle -HG . 24 A 24 SER middle . . 25 A 25 ARG middle . . 26 A 26 LEU middle . . 27 A 27 HIS middle . . 28 A 28 ARG middle . . 29 A 29 TRP middle . . 30 A 30 CYS middle -HG . 31 A 31 LYS middle . . 32 A 32 TYR middle . . 33 A 33 VAL middle . . 34 A 34 PHE end . . 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 1 ASP HA H 1 4.396 0.004 A 1 ASP HBx H 1 2.823 0.006 A 1 ASP HBy H 1 2.932 0.001 A 1 ASP CA C 13 52.849 0.000 A 1 ASP CB C 13 39.224 0.012 A 2 CYS H H 1 8.687 0.002 A 2 CYS HA H 1 4.975 0.004 A 2 CYS HBx H 1 3.197 0.002 A 2 CYS HBy H 1 3.329 0.002 A 2 CYS CA C 13 54.631 0.000 A 2 CYS CB C 13 44.070 0.023 A 2 CYS N N 15 116.923 0.000 A 3 LEU H H 1 8.676 0.003 A 3 LEU HA H 1 4.307 0.002 A 3 LEU HBx H 1 1.358 0.003 A 3 LEU HBy H 1 1.777 0.003 A 3 LEU HDx% H 1 0.944 0.003 A 3 LEU HDy% H 1 0.843 0.003 A 3 LEU HG H 1 1.566 0.003 A 3 LEU CA C 13 54.512 0.000 A 3 LEU CB C 13 44.804 0.000 A 3 LEU CDy C 13 26.247 0.000 A 3 LEU CDx C 13 22.207 0.000 A 3 LEU CG C 13 26.130 0.000 A 3 LEU N N 15 120.093 0.000 A 4 GLY H H 1 7.990 0.003 A 4 GLY HAy H 1 4.044 0.002 A 4 GLY HAx H 1 3.590 0.003 A 4 GLY CA C 13 42.863 0.025 A 4 GLY N N 15 107.119 0.000 A 5 ALA H H 1 8.021 0.002 A 5 ALA HA H 1 3.176 0.003 A 5 ALA HB% H 1 0.884 0.003 A 5 ALA CA C 13 53.877 0.000 A 5 ALA CB C 13 17.727 0.000 A 5 ALA N N 15 119.137 0.000 A 6 PHE H H 1 8.965 0.002 A 6 PHE HA H 1 3.509 0.003 A 6 PHE HBx H 1 2.845 0.002 A 6 PHE HBy H 1 3.051 0.004 A 6 PHE HDx H 1 6.296 0.002 A 6 PHE HDy H 1 6.296 0.002 A 6 PHE HEx H 1 7.233 0.003 A 6 PHE HEy H 1 7.233 0.003 A 6 PHE CA C 13 59.975 0.000 A 6 PHE CB C 13 35.534 0.013 A 6 PHE N N 15 113.846 0.000 A 7 ARG H H 1 7.580 0.002 A 7 ARG HA H 1 4.438 0.001 A 7 ARG HBx H 1 1.895 0.005 A 7 ARG HBy H 1 1.971 0.007 A 7 ARG HDx H 1 3.227 0.006 A 7 ARG HDy H 1 3.227 0.006 A 7 ARG HE H 1 7.280 0.004 A 7 ARG HGx H 1 1.463 0.003 A 7 ARG HGy H 1 1.756 0.002 A 7 ARG CA C 13 54.385 0.000 A 7 ARG CB C 13 30.234 0.012 A 7 ARG CD C 13 42.808 0.000 A 7 ARG CG C 13 26.786 0.012 A 7 ARG N N 15 119.927 0.000 A 8 LYS H H 1 8.544 0.002 A 8 LYS HA H 1 4.821 0.004 A 8 LYS HBx H 1 1.930 0.003 A 8 LYS HBy H 1 1.930 0.003 A 8 LYS HEx H 1 3.164 0.000 A 8 LYS HEy H 1 3.164 0.000 A 8 LYS HGx H 1 1.679 0.002 A 8 LYS HGy H 1 1.819 0.003 A 8 LYS HZ1 H 1 7.652 0.004 A 8 LYS HZ2 H 1 7.652 0.004 A 8 LYS HZ3 H 1 7.652 0.004 A 8 LYS CA C 13 57.169 0.000 A 8 LYS CB C 13 32.082 0.000 A 8 LYS CD C 13 28.872 0.000 A 8 LYS CG C 13 24.876 0.015 A 8 LYS N N 15 121.770 0.000 A 8 LYS NZ N 15 124.166 0.000 A 9 CYS H H 1 8.215 0.002 A 9 CYS HA H 1 4.903 0.003 A 9 CYS HBx H 1 2.928 0.003 A 9 CYS HBy H 1 3.096 0.004 A 9 CYS CA C 13 53.491 0.000 A 9 CYS CB C 13 46.344 0.000 A 9 CYS N N 15 118.699 0.000 A 10 ILE H H 1 9.003 0.003 A 10 ILE HA H 1 4.506 0.003 A 10 ILE HB H 1 1.871 0.003 A 10 ILE HD1% H 1 0.891 0.001 A 10 ILE HG1x H 1 1.129 0.004 A 10 ILE HG1y H 1 1.548 0.001 A 10 ILE CA C 13 57.086 0.000 A 10 ILE CB C 13 39.104 0.000 A 10 ILE CD1 C 13 20.928 0.000 A 10 ILE CG1 C 13 26.862 0.000 A 10 ILE N N 15 122.753 0.000 A 11 PRO HA H 1 3.697 0.003 A 11 PRO HBx H 1 1.920 0.003 A 11 PRO HBy H 1 2.113 0.001 A 11 PRO HDx H 1 3.854 0.008 A 11 PRO HDy H 1 3.905 0.007 A 11 PRO HGx H 1 1.756 0.003 A 11 PRO HGy H 1 2.107 0.005 A 11 PRO CA C 13 66.350 0.000 A 11 PRO CB C 13 31.700 0.017 A 11 PRO CD C 13 50.596 0.019 A 11 PRO CG C 13 27.975 0.034 A 12 ASP H H 1 8.075 0.001 A 12 ASP HA H 1 4.686 0.004 A 12 ASP HBx H 1 2.734 0.004 A 12 ASP HBy H 1 2.858 0.002 A 12 ASP CA C 13 53.453 0.000 A 12 ASP CB C 13 38.526 0.000 A 12 ASP N N 15 111.205 0.000 A 13 ASN H H 1 7.738 0.002 A 13 ASN HA H 1 4.724 0.001 A 13 ASN HBy H 1 2.654 0.006 A 13 ASN HBx H 1 2.539 0.004 A 13 ASN HD2y H 1 7.353 0.001 A 13 ASN HD2x H 1 6.796 0.001 A 13 ASN CA C 13 52.526 0.000 A 13 ASN CB C 13 37.308 0.015 A 13 ASN N N 15 120.741 0.000 A 13 ASN ND2 N 15 109.700 0.000 A 14 ASP H H 1 8.408 0.002 A 14 ASP HA H 1 4.174 0.003 A 14 ASP HBx H 1 2.751 0.004 A 14 ASP HBy H 1 3.006 0.003 A 14 ASP CA C 13 55.245 0.000 A 14 ASP CB C 13 41.610 0.015 A 14 ASP N N 15 122.776 0.000 A 15 LYS H H 1 8.095 0.004 A 15 LYS HA H 1 4.669 0.004 A 15 LYS HBx H 1 1.624 0.004 A 15 LYS HBy H 1 2.393 0.004 A 15 LYS HEx H 1 2.861 0.000 A 15 LYS HEy H 1 2.944 0.000 A 15 LYS HGx H 1 1.400 0.002 A 15 LYS HGy H 1 1.502 0.003 A 15 LYS HZ1 H 1 7.481 0.000 A 15 LYS HZ2 H 1 7.481 0.000 A 15 LYS HZ3 H 1 7.481 0.000 A 15 LYS CA C 13 54.194 0.000 A 15 LYS CB C 13 31.257 0.026 A 15 LYS CE C 13 42.069 0.000 A 15 LYS CG C 13 24.448 0.026 A 15 LYS N N 15 127.209 0.000 A 15 LYS NZ N 15 108.545 0.000 A 16 CYS H H 1 9.221 0.002 A 16 CYS HA H 1 4.935 0.004 A 16 CYS HBx H 1 2.618 0.002 A 16 CYS HBy H 1 2.618 0.002 A 16 CYS CA C 13 56.409 0.000 A 16 CYS CB C 13 38.483 0.000 A 16 CYS N N 15 122.131 0.000 A 17 CYS H H 1 9.303 0.002 A 17 CYS HA H 1 4.429 0.001 A 17 CYS HBx H 1 2.718 0.002 A 17 CYS HBy H 1 3.172 0.006 A 17 CYS CA C 13 56.085 0.000 A 17 CYS CB C 13 41.794 0.012 A 17 CYS N N 15 122.222 0.000 A 18 ARG H H 1 8.769 0.002 A 18 ARG HA H 1 4.370 0.004 A 18 ARG HBx H 1 1.834 0.000 A 18 ARG HBy H 1 1.967 0.008 A 18 ARG HDx H 1 3.169 0.001 A 18 ARG HDy H 1 3.284 0.001 A 18 ARG HE H 1 7.159 0.004 A 18 ARG CA C 13 57.418 0.000 A 18 ARG CB C 13 27.514 0.012 A 18 ARG CD C 13 42.713 0.000 A 18 ARG N N 15 125.867 0.000 A 19 PRO HA H 1 4.567 0.003 A 19 PRO HBx H 1 2.271 0.003 A 19 PRO HBy H 1 2.351 0.003 A 19 PRO HDx H 1 3.571 0.002 A 19 PRO HDy H 1 3.571 0.002 A 19 PRO HGx H 1 1.763 0.002 A 19 PRO HGy H 1 2.027 0.002 A 19 PRO CA C 13 63.636 0.000 A 19 PRO CB C 13 34.908 0.023 A 19 PRO CD C 13 50.113 0.000 A 19 PRO CG C 13 23.836 0.012 A 20 ASN H H 1 8.449 0.002 A 20 ASN HA H 1 4.805 0.009 A 20 ASN HBx H 1 2.917 0.002 A 20 ASN HBy H 1 3.019 0.003 A 20 ASN HD2y H 1 7.610 0.001 A 20 ASN HD2x H 1 7.117 0.004 A 20 ASN CA C 13 55.731 0.000 A 20 ASN CB C 13 39.165 0.007 A 20 ASN N N 15 118.938 0.000 A 20 ASN ND2 N 15 112.576 0.023 A 21 LEU H H 1 7.785 0.002 A 21 LEU HA H 1 5.434 0.002 A 21 LEU HBx H 1 0.779 0.002 A 21 LEU HBy H 1 2.155 0.003 A 21 LEU HDy% H 1 0.014 0.002 A 21 LEU HG H 1 1.294 0.002 A 21 LEU CA C 13 53.258 0.000 A 21 LEU CB C 13 46.275 0.013 A 21 LEU CDy C 13 23.719 0.000 A 21 LEU CG C 13 26.564 0.000 A 21 LEU N N 15 118.092 0.000 A 22 VAL H H 1 8.619 0.002 A 22 VAL HA H 1 4.259 0.002 A 22 VAL HB H 1 1.836 0.001 A 22 VAL HGx% H 1 0.891 0.002 A 22 VAL HGy% H 1 0.706 0.003 A 22 VAL CA C 13 59.615 0.000 A 22 VAL CB C 13 30.215 0.000 A 22 VAL CGy C 13 20.140 0.000 A 22 VAL N N 15 115.266 0.000 A 23 CYS H H 1 9.490 0.002 A 23 CYS HA H 1 4.584 0.002 A 23 CYS HBx H 1 2.593 0.003 A 23 CYS HBy H 1 3.146 0.002 A 23 CYS CA C 13 56.021 0.000 A 23 CYS CB C 13 37.735 0.014 A 23 CYS N N 15 125.591 0.000 A 24 SER H H 1 8.277 0.001 A 24 SER HA H 1 4.378 0.006 A 24 SER HBx H 1 3.825 0.003 A 24 SER HBy H 1 4.021 0.004 A 24 SER CA C 13 53.477 0.000 A 24 SER CB C 13 63.680 0.014 A 24 SER N N 15 123.472 0.000 A 25 ARG H H 1 9.007 0.002 A 25 ARG HA H 1 3.815 0.003 A 25 ARG HBx H 1 1.814 0.002 A 25 ARG HBy H 1 1.814 0.002 A 25 ARG HDx H 1 3.204 0.004 A 25 ARG HDy H 1 3.204 0.004 A 25 ARG HE H 1 7.306 0.003 A 25 ARG HGx H 1 1.570 0.005 A 25 ARG HGy H 1 1.706 0.001 A 25 ARG CA C 13 59.263 0.000 A 25 ARG CB C 13 29.621 0.000 A 25 ARG CD C 13 43.642 0.000 A 25 ARG CG C 13 28.492 0.000 A 25 ARG N N 15 131.161 0.000 A 26 LEU H H 1 7.491 0.005 A 26 LEU HA H 1 4.053 0.002 A 26 LEU HBx H 1 0.948 0.000 A 26 LEU HBy H 1 1.267 0.002 A 26 LEU HDx% H 1 0.748 0.002 A 26 LEU HDy% H 1 0.629 0.002 A 26 LEU HG H 1 0.794 0.008 A 26 LEU CA C 13 56.444 0.000 A 26 LEU CB C 13 42.816 0.000 A 26 LEU CDx C 13 23.230 0.000 A 26 LEU CDy C 13 24.302 0.000 A 26 LEU CG C 13 26.870 0.000 A 26 LEU N N 15 116.760 0.000 A 27 HIS H H 1 7.419 0.002 A 27 HIS HA H 1 4.195 0.001 A 27 HIS HBx H 1 1.044 0.003 A 27 HIS HBy H 1 1.227 0.004 A 27 HIS HD2 H 1 6.991 0.003 A 27 HIS HE1 H 1 8.658 0.001 A 27 HIS CA C 13 54.585 0.000 A 27 HIS CB C 13 27.167 0.014 A 27 HIS N N 15 111.299 0.000 A 28 ARG H H 1 8.200 0.003 A 28 ARG HA H 1 3.768 0.004 A 28 ARG HBx H 1 1.284 0.002 A 28 ARG HBy H 1 1.448 0.005 A 28 ARG HDx H 1 3.215 0.002 A 28 ARG HDy H 1 3.215 0.002 A 28 ARG HE H 1 7.300 0.004 A 28 ARG HGx H 1 2.032 0.001 A 28 ARG HGy H 1 2.356 0.002 A 28 ARG CA C 13 57.407 0.000 A 28 ARG CB C 13 28.282 0.000 A 28 ARG CG C 13 26.207 0.014 A 28 ARG N N 15 114.938 0.000 A 29 TRP H H 1 6.784 0.004 A 29 TRP HA H 1 5.733 0.003 A 29 TRP HBy H 1 3.224 0.004 A 29 TRP HBx H 1 2.713 0.005 A 29 TRP HD1 H 1 6.842 0.003 A 29 TRP HE1 H 1 10.551 0.003 A 29 TRP HE3 H 1 7.577 0.000 A 29 TRP HH2 H 1 7.188 0.005 A 29 TRP HZ2 H 1 7.004 0.002 A 29 TRP HZ3 H 1 7.576 0.002 A 29 TRP CA C 13 54.672 0.000 A 29 TRP CB C 13 31.002 0.030 A 29 TRP N N 15 110.709 0.000 A 29 TRP NE1 N 15 129.424 0.000 A 30 CYS H H 1 8.665 0.017 A 30 CYS HA H 1 4.930 0.004 A 30 CYS HBx H 1 2.493 0.002 A 30 CYS HBy H 1 3.168 0.002 A 30 CYS CA C 13 54.697 0.000 A 30 CYS CB C 13 39.085 0.012 A 30 CYS N N 15 121.565 0.000 A 31 LYS H H 1 9.665 0.002 A 31 LYS HA H 1 4.697 0.003 A 31 LYS HBx H 1 1.831 0.004 A 31 LYS HBy H 1 2.102 0.003 A 31 LYS HDx H 1 1.756 0.002 A 31 LYS HDy H 1 1.756 0.002 A 31 LYS HGx H 1 1.399 0.002 A 31 LYS HGy H 1 1.614 0.004 A 31 LYS CA C 13 53.376 0.000 A 31 LYS CB C 13 35.776 0.031 A 31 LYS CD C 13 29.381 0.000 A 31 LYS CG C 13 23.651 0.008 A 31 LYS N N 15 126.467 0.000 A 32 TYR H H 1 7.987 0.003 A 32 TYR HA H 1 4.855 0.005 A 32 TYR HBy H 1 2.976 0.005 A 32 TYR HBx H 1 2.725 0.003 A 32 TYR HDx H 1 7.178 0.004 A 32 TYR HDy H 1 7.178 0.004 A 32 TYR HEx H 1 6.767 0.002 A 32 TYR HEy H 1 6.767 0.002 A 32 TYR CA C 13 58.832 0.000 A 32 TYR CB C 13 38.459 0.010 A 32 TYR N N 15 120.184 0.000 A 33 VAL H H 1 8.374 0.001 A 33 VAL HA H 1 3.834 0.003 A 33 VAL HB H 1 1.874 0.002 A 33 VAL HGx% H 1 0.804 0.001 A 33 VAL HGy% H 1 0.675 0.001 A 33 VAL CA C 13 63.504 0.000 A 33 VAL CB C 13 32.933 0.000 A 33 VAL CGx C 13 21.072 0.000 A 33 VAL CGy C 13 21.092 0.000 A 33 VAL N N 15 122.844 0.000 A 34 PHE H H 1 8.024 0.001 A 34 PHE HA H 1 4.735 0.001 A 34 PHE HBx H 1 3.003 0.006 A 34 PHE HBy H 1 3.218 0.006 A 34 PHE HDx H 1 7.326 0.003 A 34 PHE HDy H 1 7.326 0.003 A 34 PHE CA C 13 56.554 0.000 A 34 PHE CB C 13 39.780 0.024 A 34 PHE N N 15 120.725 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-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 29 TRP HA A 29 TRP HD1 1.0 0.0 4.73 2 2 A 24 SER H A 24 SER HBx 1.0 0.0 3.43 3 3 A 24 SER HBy A 24 SER H 1.0 0.0 3.43 4 4 A 21 LEU H A 21 LEU HG 1.0 0.0 4.24 5 5 A 21 LEU H A 21 LEU HBx 1.0 0.0 3.55 6 6 A 21 LEU HG A 21 LEU HA 1.0 0.0 4.22 7 7 A 20 ASN H A 19 PRO HDx 1.0 0.0 3.53 8 7 A 19 PRO HDy A 20 ASN H 1.0 0.0 3.53 9 8 A 20 ASN H A 20 ASN HBx 1.0 0.0 3.89 10 9 A 20 ASN H A 20 ASN HBy 1.0 0.0 3.89 11 10 A 21 LEU H A 20 ASN HBy 1.0 0.0 4.80 12 11 A 21 LEU H A 20 ASN HBx 1.0 0.0 4.80 13 12 A 21 LEU HA A 22 VAL H 1.0 0.0 2.96 14 13 A 22 VAL HA A 23 CYS H 1.0 0.0 3.00 15 14 A 23 CYS HA A 24 SER H 1.0 0.0 2.98 16 15 A 22 VAL H A 22 VAL HB 1.0 0.0 4.02 17 16 A 22 VAL H A 22 VAL HGy% 1.0 0.0 4.07 18 17 A 22 VAL H A 22 VAL HGx% 1.0 0.0 4.07 19 18 A 22 VAL HA A 22 VAL HGx% 1.0 0.0 4.01 20 19 A 22 VAL HA A 22 VAL HGy% 1.0 0.0 4.01 21 20 A 22 VAL H A 21 LEU HBy 1.0 0.0 3.41 22 21 A 21 LEU HG A 22 VAL H 1.0 0.0 5.50 23 22 A 21 LEU HBx A 22 VAL H 1.0 0.0 4.38 24 23 A 23 CYS H A 23 CYS HBy 1.0 0.0 3.32 25 24 A 23 CYS H A 23 CYS HBx 1.0 0.0 3.32 26 25 A 23 CYS H A 22 VAL HB 1.0 0.0 4.23 27 26 A 23 CYS H A 22 VAL HGx% 1.0 0.0 4.49 28 27 A 23 CYS H A 22 VAL HGy% 1.0 0.0 4.49 29 28 A 23 CYS HBy A 24 SER H 1.0 0.0 5.06 30 29 A 24 SER H A 23 CYS HBx 1.0 0.0 5.06 31 30 A 25 ARG H A 25 ARG HBx 1.0 0.0 3.05 32 30 A 25 ARG H A 25 ARG HBy 1.0 0.0 3.05 33 31 A 25 ARG H A 25 ARG HGx 1.0 0.0 4.48 34 32 A 25 ARG H A 25 ARG HGy 1.0 0.0 4.48 35 33 A 25 ARG H A 25 ARG HDx 1.0 0.0 4.63 36 33 A 25 ARG H A 25 ARG HDy 1.0 0.0 4.63 37 34 A 25 ARG H A 24 SER HBy 1.0 0.0 4.63 38 35 A 25 ARG H A 24 SER HBx 1.0 0.0 4.63 39 36 A 25 ARG H A 24 SER HA 1.0 0.0 2.89 40 37 A 25 ARG HA A 25 ARG HGx 1.0 0.0 4.11 41 38 A 25 ARG HA A 25 ARG HGy 1.0 0.0 4.11 42 39 A 28 ARG HA A 29 TRP H 1.0 0.0 3.37 43 40 A 30 CYS H A 30 CYS HBy 1.0 0.0 3.95 44 41 A 30 CYS H A 30 CYS HBx 1.0 0.0 3.01 45 42 A 29 TRP HA A 30 CYS H 1.0 0.0 3.06 46 43 A 30 CYS HA A 31 LYS H 1.0 0.0 3.00 47 44 A 30 CYS HBy A 31 LYS H 1.0 0.0 4.20 48 45 A 30 CYS HBx A 31 LYS H 1.0 0.0 4.73 49 46 A 31 LYS HA A 31 LYS HDx 1.0 0.0 5.15 50 46 A 31 LYS HA A 31 LYS HDy 1.0 0.0 5.15 51 47 A 31 LYS HGy A 31 LYS H 1.0 0.0 4.08 52 48 A 31 LYS H A 31 LYS HGx 1.0 0.0 4.08 53 49 A 31 LYS HDy A 31 LYS H 1.0 0.0 4.71 54 49 A 31 LYS H A 31 LYS HDx 1.0 0.0 4.71 55 50 A 31 LYS HBy A 31 LYS H 1.0 0.0 3.89 56 51 A 32 TYR H A 32 TYR HBy 1.0 0.0 3.63 57 52 A 32 TYR H A 32 TYR HBx 1.0 0.0 3.63 58 53 A 31 LYS HA A 32 TYR H 1.0 0.0 3.06 59 54 A 32 TYR H A 31 LYS HBx 1.0 0.0 3.47 60 55 A 31 LYS HBy A 32 TYR H 1.0 0.0 4.04 61 56 A 3 LEU HBx A 4 GLY H 1.0 0.0 3.97 62 57 A 32 TYR HA A 32 TYR HD% 1.0 0.0 3.50 63 58 A 32 TYR HA A 32 TYR HE% 1.0 0.0 5.26 64 59 A 33 VAL H A 33 VAL HGy% 1.0 0.0 3.90 65 60 A 33 VAL HGx% A 33 VAL H 1.0 0.0 3.90 66 61 A 33 VAL HB A 33 VAL H 1.0 0.0 3.95 67 62 A 32 TYR HA A 33 VAL H 1.0 0.0 2.93 68 63 A 32 TYR HBy A 33 VAL H 1.0 0.0 4.59 69 64 A 33 VAL H A 32 TYR HBx 1.0 0.0 4.59 70 65 A 33 VAL HA A 33 VAL HGx% 1.0 0.0 3.69 71 66 A 33 VAL HA A 33 VAL HGy% 1.0 0.0 3.69 72 67 A 34 PHE H A 34 PHE HBx 1.0 0.0 4.00 73 68 A 34 PHE H A 34 PHE HBy 1.0 0.0 4.00 74 69 A 33 VAL HA A 34 PHE H 1.0 0.0 3.49 75 70 A 34 PHE HA A 34 PHE HD% 1.0 0.0 4.34 76 71 A 34 PHE H A 33 VAL HGy% 1.0 0.0 4.22 77 72 A 34 PHE H A 33 VAL HGx% 1.0 0.0 4.22 78 73 A 33 VAL HB A 34 PHE H 1.0 0.0 4.53 79 74 A 26 LEU HA A 26 LEU HG 1.0 0.0 3.71 80 75 A 26 LEU HA A 26 LEU HDx% 1.0 0.0 4.44 81 76 A 26 LEU HA A 26 LEU HDy% 1.0 0.0 4.44 82 77 A 26 LEU H A 26 LEU HBx 1.0 0.0 3.75 83 78 A 26 LEU H A 26 LEU HBy 1.0 0.0 3.75 84 79 A 26 LEU HG A 26 LEU H 1.0 0.0 4.53 85 80 A 26 LEU H A 26 LEU HDx% 1.0 0.0 5.25 86 81 A 26 LEU H A 26 LEU HDy% 1.0 0.0 5.25 87 82 A 27 HIS H A 26 LEU HDy% 1.0 0.0 5.23 88 83 A 27 HIS H A 26 LEU HDx% 1.0 0.0 5.23 89 84 A 26 LEU HG A 27 HIS H 1.0 0.0 4.90 90 85 A 27 HIS H A 26 LEU HBy 1.0 0.0 4.10 91 86 A 27 HIS H A 26 LEU HBx 1.0 0.0 4.10 92 87 A 28 ARG H A 28 ARG HGx 1.0 0.0 4.75 93 88 A 28 ARG H A 28 ARG HGy 1.0 0.0 4.75 94 89 A 28 ARG H A 28 ARG HBx 1.0 0.0 4.20 95 90 A 28 ARG H A 28 ARG HBy 1.0 0.0 4.20 96 91 A 28 ARG HA A 28 ARG HGx 1.0 0.0 3.97 97 92 A 28 ARG HA A 28 ARG HGy 1.0 0.0 3.97 98 93 A 17 CYS HA A 18 ARG H 1.0 0.0 3.57 99 94 A 16 CYS HA A 17 CYS H 1.0 0.0 2.91 100 95 A 16 CYS H A 16 CYS HBx 1.0 0.0 3.16 101 95 A 16 CYS H A 16 CYS HBy 1.0 0.0 3.16 102 96 A 17 CYS H A 17 CYS HBy 1.0 0.0 3.82 103 97 A 17 CYS H A 17 CYS HBx 1.0 0.0 3.82 104 98 A 17 CYS H A 16 CYS HBx 1.0 0.0 3.68 105 98 A 17 CYS H A 16 CYS HBy 1.0 0.0 3.68 106 99 A 18 ARG H A 18 ARG HBx 1.0 0.0 3.80 107 100 A 18 ARG H A 18 ARG HBy 1.0 0.0 3.80 108 101 A 18 ARG H A 17 CYS HBy 1.0 0.0 4.62 109 102 A 18 ARG H A 17 CYS HBx 1.0 0.0 4.62 110 103 A 14 ASP HA A 15 LYS H 1.0 0.0 3.04 111 104 A 13 ASN HA A 14 ASP H 1.0 0.0 3.21 112 105 A 12 ASP H A 11 PRO HDx 1.0 0.0 4.26 113 106 A 12 ASP H A 11 PRO HDy 1.0 0.0 4.26 114 107 A 31 LYS HDy A 24 SER HBy 1.0 0.0 3.86 115 107 A 24 SER HBy A 31 LYS HDx 1.0 0.0 3.86 116 108 A 15 LYS H A 15 LYS HBx 1.0 0.0 4.14 117 109 A 15 LYS H A 15 LYS HBy 1.0 0.0 4.14 118 110 A 15 LYS H A 15 LYS HGx 1.0 0.0 4.31 119 111 A 15 LYS H A 15 LYS HGy 1.0 0.0 4.31 120 112 A 14 ASP H A 14 ASP HBy 1.0 0.0 3.67 121 113 A 14 ASP H A 14 ASP HBx 1.0 0.0 3.67 122 114 A 13 ASN H A 13 ASN HBx 1.0 0.0 4.09 123 115 A 13 ASN H A 13 ASN HBy 1.0 0.0 4.09 124 116 A 14 ASP H A 13 ASN HBy 1.0 0.0 5.15 125 117 A 14 ASP H A 13 ASN HBx 1.0 0.0 5.15 126 118 A 12 ASP H A 12 ASP HBy 1.0 0.0 3.86 127 119 A 12 ASP H A 12 ASP HBx 1.0 0.0 3.86 128 120 A 10 ILE H A 10 ILE HB 1.0 0.0 3.34 129 121 A 10 ILE H A 10 ILE HG1x 1.0 0.0 4.26 130 122 A 10 ILE H A 10 ILE HG1y 1.0 0.0 4.26 131 123 A 10 ILE H A 10 ILE HD1% 1.0 0.0 3.93 132 124 A 10 ILE HD1% A 10 ILE HA 1.0 0.0 3.99 133 125 A 10 ILE H A 9 CYS HBy 1.0 0.0 3.93 134 126 A 10 ILE H A 9 CYS HBx 1.0 0.0 3.93 135 127 A 10 ILE H A 9 CYS HA 1.0 0.0 3.28 136 128 A 8 LYS H A 8 LYS HBx 1.0 0.0 2.95 137 128 A 8 LYS H A 8 LYS HBy 1.0 0.0 2.95 138 129 A 8 LYS H A 8 LYS HGx 1.0 0.0 4.13 139 130 A 8 LYS H A 8 LYS HGy 1.0 0.0 4.13 140 131 A 8 LYS H A 7 ARG HDx 1.0 0.0 4.24 141 131 A 8 LYS H A 7 ARG HDy 1.0 0.0 4.24 142 132 A 8 LYS H A 29 TRP HBx 1.0 0.0 4.73 143 133 A 8 LYS HA A 9 CYS H 1.0 0.0 3.34 144 134 A 9 CYS H A 8 LYS HBx 1.0 0.0 3.81 145 134 A 8 LYS HBy A 9 CYS H 1.0 0.0 3.81 146 135 A 9 CYS H A 8 LYS HGx 1.0 0.0 5.14 147 136 A 9 CYS H A 8 LYS HGy 1.0 0.0 5.14 148 137 A 7 ARG H A 7 ARG HBx 1.0 0.0 3.20 149 138 A 7 ARG H A 7 ARG HBy 1.0 0.0 3.84 150 139 A 7 ARG H A 7 ARG HGy 1.0 0.0 4.47 151 140 A 7 ARG H A 7 ARG HGx 1.0 0.0 3.41 152 141 A 8 LYS H A 7 ARG HA 1.0 0.0 2.83 153 142 A 7 ARG H A 6 PHE HBy 1.0 0.0 4.73 154 143 A 7 ARG H A 6 PHE HBx 1.0 0.0 4.73 155 144 A 6 PHE HA A 6 PHE HD% 1.0 0.0 3.48 156 145 A 5 ALA H A 5 ALA HB% 1.0 0.0 3.02 157 146 A 5 ALA HB% A 6 PHE H 1.0 0.0 3.87 158 147 A 6 PHE H A 5 ALA HA 1.0 0.0 2.90 159 148 A 5 ALA H A 4 GLY HAy 1.0 0.0 3.45 160 149 A 5 ALA H A 4 GLY HAx 1.0 0.0 3.45 161 150 A 4 GLY H A 3 LEU HA 1.0 0.0 2.88 162 151 A 3 LEU HBx A 3 LEU H 1.0 0.0 3.35 163 152 A 3 LEU H A 3 LEU HG 1.0 0.0 3.46 164 153 A 3 LEU H A 3 LEU HBy 1.0 0.0 3.90 165 154 A 3 LEU H A 3 LEU HDx% 1.0 0.0 4.05 166 155 A 3 LEU H A 3 LEU HDy% 1.0 0.0 4.05 167 156 A 3 LEU HA A 3 LEU HG 1.0 0.0 4.13 168 157 A 3 LEU H A 2 CYS HA 1.0 0.0 3.06 169 158 A 2 CYS H A 2 CYS HBx 1.0 0.0 3.52 170 159 A 2 CYS H A 2 CYS HBy 1.0 0.0 3.52 171 160 A 2 CYS H A 1 ASP HA 1.0 0.0 3.14 172 161 A 2 CYS H A 1 ASP HBx 1.0 0.0 4.68 173 162 A 2 CYS H A 1 ASP HBy 1.0 0.0 4.68 174 163 A 21 LEU H A 21 LEU HBy 1.0 0.0 3.80 175 164 A 28 ARG H A 27 HIS HBy 1.0 0.0 4.88 176 165 A 28 ARG H A 27 HIS HBx 1.0 0.0 4.88 177 166 A 27 HIS H A 27 HIS HD2 1.0 0.0 4.51 178 167 A 27 HIS HD2 A 27 HIS HA 1.0 0.0 4.87 179 168 A 29 TRP HA A 6 PHE HA 1.0 0.0 5.50 180 169 A 29 TRP HA A 8 LYS HBx 1.0 0.0 4.92 181 169 A 29 TRP HA A 8 LYS HBy 1.0 0.0 4.92 182 170 A 29 TRP HA A 7 ARG H 1.0 0.0 5.29 183 171 A 29 TRP HA A 29 TRP HE3 1.0 0.0 5.50 184 172 A 29 TRP HA A 9 CYS H 1.0 0.0 3.45 185 173 A 21 LEU HA A 33 VAL H 1.0 0.0 3.87 186 174 A 21 LEU H A 18 ARG HA 1.0 0.0 3.63 187 175 A 24 SER HA A 26 LEU H 1.0 0.0 4.59 188 176 A 6 PHE HD% A 6 PHE H 1.0 0.0 4.63 189 177 A 7 ARG H A 6 PHE H 1.0 0.0 3.64 190 178 A 6 PHE HD% A 29 TRP HE1 1.0 0.0 4.64 191 179 A 29 TRP HE1 A 6 PHE HE% 1.0 0.0 4.50 192 180 A 29 TRP HE1 A 27 HIS HBy 1.0 0.0 4.76 193 181 A 29 TRP HE1 A 27 HIS HBx 1.0 0.0 4.76 194 182 A 31 LYS HBy A 29 TRP HE1 1.0 0.0 4.21 195 183 A 31 LYS HBx A 29 TRP HE1 1.0 0.0 4.79 196 184 A 22 VAL HGx% A 31 LYS H 1.0 0.0 5.43 197 185 A 21 LEU HBy A 31 LYS H 1.0 0.0 5.20 198 186 A 31 LYS H A 22 VAL HGy% 1.0 0.0 5.43 199 187 A 3 LEU HBx A 17 CYS H 1.0 0.0 3.99 200 188 A 21 LEU HBx A 17 CYS H 1.0 0.0 4.33 201 189 A 6 PHE HD% A 5 ALA HB% 1.0 0.0 3.79 202 190 A 7 ARG H A 5 ALA HB% 1.0 0.0 4.72 203 191 A 7 ARG H A 29 TRP HBy 1.0 0.0 3.81 204 192 A 26 LEU H A 25 ARG HBx 1.0 0.0 3.68 205 192 A 25 ARG HBy A 26 LEU H 1.0 0.0 3.68 206 193 A 29 TRP HD1 A 31 LYS HBy 1.0 0.0 3.71 207 194 A 29 TRP HD1 A 31 LYS HBx 1.0 0.0 4.61 208 195 A 30 CYS HBy A 6 PHE H 1.0 0.0 4.25 209 196 A 6 PHE H A 29 TRP HBy 1.0 0.0 4.86 210 197 A 17 CYS H A 3 LEU HBy 1.0 0.0 5.50 211 198 A 17 CYS H A 3 LEU HG 1.0 0.0 5.50 212 199 A 16 CYS H A 15 LYS HBy 1.0 0.0 5.04 213 200 A 3 LEU HBx A 16 CYS H 1.0 0.0 5.02 214 201 A 16 CYS H A 15 LYS HBx 1.0 0.0 5.04 215 202 A 21 LEU HBx A 16 CYS H 1.0 0.0 5.50 216 203 A 22 VAL H A 31 LYS H 1.0 0.0 3.58 217 204 A 24 SER H A 31 LYS H 1.0 0.0 4.39 218 205 A 32 TYR H A 31 LYS H 1.0 0.0 5.00 219 206 A 29 TRP HD1 A 31 LYS H 1.0 0.0 5.20 220 207 A 22 VAL H A 23 CYS H 1.0 0.0 4.99 221 208 A 23 CYS H A 24 SER H 1.0 0.0 5.25 222 209 A 18 ARG H A 17 CYS H 1.0 0.0 4.83 223 210 A 17 CYS H A 3 LEU H 1.0 0.0 4.66 224 211 A 30 CYS H A 6 PHE H 1.0 0.0 4.66 225 212 A 16 CYS H A 15 LYS H 1.0 0.0 3.93 226 213 A 25 ARG H A 26 LEU H 1.0 0.0 3.50 227 214 A 30 CYS H A 7 ARG H 1.0 0.0 3.84 228 215 A 29 TRP H A 24 SER H 1.0 0.0 3.79 229 216 A 29 TRP H A 28 ARG H 1.0 0.0 3.58 230 217 A 27 HIS H A 28 ARG H 1.0 0.0 3.26 231 218 A 12 ASP H A 13 ASN H 1.0 0.0 3.45 232 219 A 14 ASP H A 13 ASN H 1.0 0.0 3.75 233 220 A 21 LEU H A 20 ASN H 1.0 0.0 3.37 234 221 A 32 TYR H A 32 TYR HD% 1.0 0.0 3.73 235 222 A 7 ARG H A 6 PHE HD% 1.0 0.0 5.21 236 223 A 6 PHE HD% A 29 TRP HZ2 1.0 0.0 4.90 237 224 A 29 TRP HD1 A 6 PHE HD% 1.0 0.0 4.44 238 225 A 21 LEU H A 22 VAL H 1.0 0.0 4.81 239 226 A 22 VAL H A 33 VAL H 1.0 0.0 5.07 240 227 A 8 LYS H A 9 CYS H 1.0 0.0 4.78 241 228 A 8 LYS H A 7 ARG H 1.0 0.0 4.77 242 229 A 14 ASP H A 12 ASP H 1.0 0.0 5.28 243 230 A 15 LYS H A 14 ASP H 1.0 0.0 5.50 244 231 A 34 PHE H A 33 VAL H 1.0 0.0 4.22 245 232 A 32 TYR HD% A 33 VAL H 1.0 0.0 4.41 246 233 A 8 LYS H A 7 ARG HE 1.0 0.0 4.78 247 234 A 4 GLY H A 3 LEU H 1.0 0.0 4.87 248 235 A 5 ALA H A 6 PHE H 1.0 0.0 4.62 249 236 A 10 ILE H A 9 CYS H 1.0 0.0 5.20 250 237 A 25 ARG H A 28 ARG H 1.0 0.0 5.50 251 238 A 29 TRP HBx A 9 CYS H 1.0 0.0 4.51 252 239 A 9 CYS H A 29 TRP HBy 1.0 0.0 5.03 253 240 A 29 TRP H A 30 CYS H 1.0 0.0 4.74 254 241 A 29 TRP HD1 A 30 CYS H 1.0 0.0 4.83 255 242 A 30 CYS HBy A 7 ARG H 1.0 0.0 4.38 256 243 A 30 CYS HBx A 7 ARG H 1.0 0.0 3.50 257 244 A 29 TRP HBx A 29 TRP HE3 1.0 0.0 3.22 258 245 A 29 TRP HD1 A 24 SER HBy 1.0 0.0 5.17 259 246 A 29 TRP HD1 A 24 SER HBx 1.0 0.0 5.17 260 247 A 27 HIS HD2 A 24 SER HBx 1.0 0.0 4.80 261 248 A 27 HIS HD2 A 24 SER HBy 1.0 0.0 4.80 262 249 A 30 CYS H A 6 PHE HA 1.0 0.0 4.26 263 250 A 29 TRP HD1 A 6 PHE HA 1.0 0.0 4.00 264 251 A 20 ASN H A 18 ARG HA 1.0 0.0 3.75 265 252 A 14 ASP HA A 10 ILE H 1.0 0.0 4.72 266 253 A 16 CYS H A 14 ASP HA 1.0 0.0 5.46 267 254 A 23 CYS HA A 31 LYS H 1.0 0.0 4.17 268 255 A 29 TRP HD1 A 31 LYS HA 1.0 0.0 4.21 269 256 A 29 TRP HD1 A 30 CYS HA 1.0 0.0 5.01 270 257 A 11 PRO HA A 14 ASP HBy 1.0 0.0 5.25 271 258 A 11 PRO HA A 14 ASP HBx 1.0 0.0 5.25 272 259 A 22 VAL HA A 16 CYS HBx 1.0 0.0 3.40 273 259 A 22 VAL HA A 16 CYS HBy 1.0 0.0 3.40 274 260 A 21 LEU HA A 16 CYS HBx 1.0 0.0 4.72 275 260 A 21 LEU HA A 16 CYS HBy 1.0 0.0 4.72 276 261 A 13 ASN H A 11 PRO HA 1.0 0.0 4.73 277 262 A 22 VAL H A 30 CYS HBy 1.0 0.0 5.00 278 263 A 31 LYS HA A 29 TRP HE1 1.0 0.0 5.19 279 264 A 30 CYS H A 7 ARG HBx 1.0 0.0 4.66 280 265 A 30 CYS H A 7 ARG HBy 1.0 0.0 5.50 281 266 A 6 PHE HD% A 5 ALA HA 1.0 0.0 4.72 282 267 A 31 LYS HDy A 24 SER H 1.0 0.0 4.65 283 267 A 24 SER H A 31 LYS HDx 1.0 0.0 4.65 284 268 A 31 LYS HBy A 24 SER H 1.0 0.0 4.78 285 269 A 31 LYS HBx A 24 SER H 1.0 0.0 5.50 286 270 A 7 ARG HBy A 7 ARG HE 1.0 0.0 4.21 287 271 A 7 ARG HBx A 7 ARG HE 1.0 0.0 4.83 288 272 A 7 ARG HA A 7 ARG HDx 1.0 0.0 3.08 289 272 A 7 ARG HDy A 7 ARG HA 1.0 0.0 3.08 290 273 A 28 ARG HA A 29 TRP HBx 1.0 0.0 5.50 291 274 A 25 ARG HA A 25 ARG HDx 1.0 0.0 4.57 292 274 A 25 ARG HDy A 25 ARG HA 1.0 0.0 4.57 293 275 A 8 LYS HZ% A 8 LYS HGy 1.0 0.0 5.50 294 276 A 8 LYS HZ% A 8 LYS HGx 1.0 0.0 5.50 295 277 A 23 CYS H A 11 PRO HA 1.0 0.0 5.50 296 278 A 14 ASP HA A 13 ASN H 1.0 0.0 4.71 297 279 A 7 ARG HA A 7 ARG HE 1.0 0.0 4.70 298 280 A 6 PHE HD% A 29 TRP HBy 1.0 0.0 4.93 299 281 A 26 LEU HG A 27 HIS HD2 1.0 0.0 5.50 300 282 A 21 LEU HBy A 32 TYR HE% 1.0 0.0 5.50 301 283 A 21 LEU HBy A 32 TYR HD% 1.0 0.0 5.50 302 284 A 21 LEU HG A 32 TYR HD% 1.0 0.0 4.93 303 285 A 4 GLY H A 3 LEU HBy 1.0 0.0 3.98 304 286 A 26 LEU H A 25 ARG HDx 1.0 0.0 4.79 305 286 A 25 ARG HDy A 26 LEU H 1.0 0.0 4.79 306 287 A 21 LEU HA A 32 TYR HD% 1.0 0.0 5.10 307 288 A 29 TRP HD1 A 6 PHE H 1.0 0.0 4.91 308 289 A 15 LYS H A 10 ILE H 1.0 0.0 4.94 309 290 A 3 LEU HBx A 16 CYS HA 1.0 0.0 3.30 310 291 A 16 CYS HA A 3 LEU HBy 1.0 0.0 4.08 311 292 A 16 CYS HA A 3 LEU HG 1.0 0.0 4.55 312 293 A 21 LEU HBy A 16 CYS HA 1.0 0.0 5.44 313 294 A 21 LEU HBy A 30 CYS HA 1.0 0.0 5.50 314 295 A 31 LYS HDy A 24 SER HBx 1.0 0.0 3.86 315 295 A 24 SER HBx A 31 LYS HDx 1.0 0.0 3.86 316 296 A 6 PHE HA A 29 TRP HBy 1.0 0.0 3.82 317 297 A 21 LEU HA A 32 TYR HA 1.0 0.0 3.99 318 298 A 29 TRP HA A 8 LYS HA 1.0 0.0 3.86 319 299 A 2 CYS H A 1 ASP HBy 1.0 0.0 4.05 320 299 A 2 CYS H A 1 ASP HBx 1.0 0.0 4.05 321 300 A 2 CYS H A 2 CYS HBx 1.0 0.0 2.84 322 300 A 2 CYS H A 2 CYS HBy 1.0 0.0 2.84 323 301 A 17 CYS H A 2 CYS HBx 1.0 0.0 5.34 324 301 A 17 CYS H A 2 CYS HBy 1.0 0.0 5.34 325 302 A 3 LEU HA A 3 LEU HDx% 1.0 0.0 3.06 326 302 A 3 LEU HA A 3 LEU HDy% 1.0 0.0 3.06 327 303 A 16 CYS H A 3 LEU HDx% 1.0 0.0 4.53 328 303 A 16 CYS H A 3 LEU HDy% 1.0 0.0 4.53 329 304 A 5 ALA H A 4 GLY HAy 1.0 0.0 2.84 330 304 A 5 ALA H A 4 GLY HAx 1.0 0.0 2.84 331 305 A 5 ALA H A 21 LEU HD11 1.0 0.0 4.18 332 305 A 5 ALA H A 21 LEU HDy% 1.0 0.0 4.18 333 306 A 6 PHE H A 21 LEU HD11 1.0 0.0 5.00 334 306 A 6 PHE H A 21 LEU HDy% 1.0 0.0 5.00 335 307 A 8 LYS H A 8 LYS HGx 1.0 0.0 3.53 336 307 A 8 LYS H A 8 LYS HGy 1.0 0.0 3.53 337 308 A 9 CYS H A 8 LYS HGx 1.0 0.0 4.32 338 308 A 9 CYS H A 8 LYS HGy 1.0 0.0 4.32 339 309 A 10 ILE H A 9 CYS HBx 1.0 0.0 3.19 340 309 A 10 ILE H A 9 CYS HBy 1.0 0.0 3.19 341 310 A 29 TRP HA A 9 CYS HBx 1.0 0.0 4.83 342 310 A 29 TRP HA A 9 CYS HBy 1.0 0.0 4.83 343 311 A 10 ILE H A 10 ILE HG1y 1.0 0.0 3.53 344 311 A 10 ILE H A 10 ILE HG1x 1.0 0.0 3.53 345 312 A 10 ILE HA A 11 PRO HDx 1.0 0.0 3.13 346 312 A 10 ILE HA A 11 PRO HDy 1.0 0.0 3.13 347 313 A 11 PRO HA A 14 ASP HBx 1.0 0.0 4.50 348 313 A 11 PRO HA A 14 ASP HBy 1.0 0.0 4.50 349 314 A 11 PRO HA A 23 CYS HBx 1.0 0.0 3.36 350 314 A 11 PRO HA A 23 CYS HBy 1.0 0.0 3.36 351 315 A 12 ASP H A 11 PRO HBx 1.0 0.0 3.50 352 315 A 12 ASP H A 11 PRO HBy 1.0 0.0 3.50 353 316 A 12 ASP H A 11 PRO HGx 1.0 0.0 3.89 354 316 A 12 ASP H A 11 PRO HGy 1.0 0.0 3.89 355 317 A 12 ASP H A 11 PRO HDx 1.0 0.0 3.72 356 317 A 12 ASP H A 11 PRO HDy 1.0 0.0 3.72 357 318 A 12 ASP H A 12 ASP HBx 1.0 0.0 3.26 358 318 A 12 ASP H A 12 ASP HBy 1.0 0.0 3.26 359 319 A 13 ASN H A 12 ASP HBx 1.0 0.0 4.05 360 319 A 13 ASN H A 12 ASP HBy 1.0 0.0 4.05 361 320 A 13 ASN H A 13 ASN HBx 1.0 0.0 3.57 362 320 A 13 ASN H A 13 ASN HBy 1.0 0.0 3.57 363 321 A 14 ASP H A 14 ASP HBx 1.0 0.0 2.95 364 321 A 14 ASP H A 14 ASP HBy 1.0 0.0 2.95 365 322 A 15 LYS H A 14 ASP HBx 1.0 0.0 3.98 366 322 A 15 LYS H A 14 ASP HBy 1.0 0.0 3.98 367 323 A 23 CYS H A 14 ASP HBx 1.0 0.0 4.80 368 323 A 23 CYS H A 14 ASP HBy 1.0 0.0 4.80 369 324 A 15 LYS H A 15 LYS HBx 1.0 0.0 3.31 370 324 A 15 LYS H A 15 LYS HBy 1.0 0.0 3.31 371 325 A 15 LYS H A 15 LYS HGx 1.0 0.0 3.73 372 325 A 15 LYS H A 15 LYS HGy 1.0 0.0 3.73 373 326 A 16 CYS H A 15 LYS HBx 1.0 0.0 4.38 374 326 A 16 CYS H A 15 LYS HBy 1.0 0.0 4.38 375 327 A 17 CYS H A 17 CYS HBx 1.0 0.0 3.19 376 327 A 17 CYS H A 17 CYS HBy 1.0 0.0 3.19 377 328 A 18 ARG H A 18 ARG HBy 1.0 0.0 3.10 378 328 A 18 ARG H A 18 ARG HBx 1.0 0.0 3.10 379 329 A 20 ASN H A 19 PRO HGx 1.0 0.0 3.83 380 329 A 20 ASN H A 19 PRO HGy 1.0 0.0 3.83 381 330 A 19 PRO HDx A 20 ASN HD2y 1.0 0.0 5.03 382 330 A 19 PRO HDy A 20 ASN HD2y 1.0 0.0 5.03 383 330 A 20 ASN HD2x A 19 PRO HDx 1.0 0.0 5.03 384 330 A 19 PRO HDy A 20 ASN HD2x 1.0 0.0 5.03 385 331 A 20 ASN H A 20 ASN HBy 1.0 0.0 3.22 386 331 A 20 ASN H A 20 ASN HBx 1.0 0.0 3.22 387 332 A 20 ASN H A 20 ASN HD2y 1.0 0.0 4.51 388 332 A 20 ASN H A 20 ASN HD2x 1.0 0.0 4.51 389 333 A 20 ASN HBx A 20 ASN HD2y 1.0 0.0 3.18 390 333 A 20 ASN HBy A 20 ASN HD2y 1.0 0.0 3.18 391 333 A 20 ASN HD2x A 20 ASN HBy 1.0 0.0 3.18 392 333 A 20 ASN HD2x A 20 ASN HBx 1.0 0.0 3.18 393 334 A 21 LEU H A 20 ASN HBy 1.0 0.0 4.07 394 334 A 21 LEU H A 20 ASN HBx 1.0 0.0 4.07 395 335 A 21 LEU H A 21 LEU HD11 1.0 0.0 4.60 396 335 A 21 LEU H A 21 LEU HDy% 1.0 0.0 4.60 397 336 A 21 LEU HA A 21 LEU HD11 1.0 0.0 3.33 398 336 A 21 LEU HA A 21 LEU HDy% 1.0 0.0 3.33 399 337 A 21 LEU HA A 22 VAL HGy% 1.0 0.0 4.63 400 337 A 21 LEU HA A 22 VAL HGx% 1.0 0.0 4.63 401 338 A 22 VAL H A 21 LEU HD11 1.0 0.0 4.17 402 338 A 22 VAL H A 21 LEU HDy% 1.0 0.0 4.17 403 339 A 21 LEU HDy% A 31 LYS H 1.0 0.0 4.89 404 339 A 31 LYS H A 21 LEU HD11 1.0 0.0 4.89 405 340 A 31 LYS HA A 21 LEU HD11 1.0 0.0 4.46 406 340 A 31 LYS HA A 21 LEU HDy% 1.0 0.0 4.46 407 341 A 32 TYR H A 21 LEU HD11 1.0 0.0 4.36 408 341 A 32 TYR H A 21 LEU HDy% 1.0 0.0 4.36 409 342 A 32 TYR HA A 21 LEU HD11 1.0 0.0 3.24 410 342 A 32 TYR HA A 21 LEU HDy% 1.0 0.0 3.24 411 343 A 32 TYR HD% A 21 LEU HD11 1.0 0.0 3.65 412 343 A 32 TYR HD% A 21 LEU HDy% 1.0 0.0 3.65 413 344 A 32 TYR HE% A 21 LEU HD11 1.0 0.0 3.96 414 344 A 32 TYR HE% A 21 LEU HDy% 1.0 0.0 3.96 415 345 A 33 VAL H A 21 LEU HD11 1.0 0.0 4.28 416 345 A 21 LEU HDy% A 33 VAL H 1.0 0.0 4.28 417 346 A 22 VAL H A 22 VAL HGy% 1.0 0.0 3.29 418 346 A 22 VAL H A 22 VAL HGx% 1.0 0.0 3.29 419 347 A 22 VAL H A 31 LYS HGx 1.0 0.0 4.73 420 347 A 22 VAL H A 31 LYS HGy 1.0 0.0 4.73 421 348 A 23 CYS H A 22 VAL HGy% 1.0 0.0 3.44 422 348 A 23 CYS H A 22 VAL HGx% 1.0 0.0 3.44 423 349 A 22 VAL HGx% A 31 LYS H 1.0 0.0 4.64 424 349 A 31 LYS H A 22 VAL HGy% 1.0 0.0 4.64 425 350 A 24 SER H A 23 CYS HBx 1.0 0.0 4.43 426 350 A 23 CYS HBy A 24 SER H 1.0 0.0 4.43 427 351 A 24 SER HBy A 24 SER H 1.0 0.0 2.95 428 351 A 24 SER H A 24 SER HBx 1.0 0.0 2.95 429 352 A 31 LYS HGy A 24 SER H 1.0 0.0 4.42 430 352 A 24 SER H A 31 LYS HGx 1.0 0.0 4.42 431 353 A 25 ARG H A 24 SER HBx 1.0 0.0 3.86 432 353 A 25 ARG H A 24 SER HBy 1.0 0.0 3.86 433 354 A 26 LEU H A 24 SER HBx 1.0 0.0 4.40 434 354 A 26 LEU H A 24 SER HBy 1.0 0.0 4.40 435 355 A 27 HIS H A 24 SER HBx 1.0 0.0 3.84 436 355 A 27 HIS H A 24 SER HBy 1.0 0.0 3.84 437 356 A 24 SER HBy A 27 HIS HBx 1.0 0.0 3.66 438 356 A 27 HIS HBy A 24 SER HBx 1.0 0.0 3.66 439 356 A 24 SER HBy A 27 HIS HBy 1.0 0.0 3.66 440 356 A 24 SER HBx A 27 HIS HBx 1.0 0.0 3.66 441 357 A 28 ARG H A 24 SER HBx 1.0 0.0 3.51 442 357 A 28 ARG H A 24 SER HBy 1.0 0.0 3.51 443 358 A 29 TRP H A 24 SER HBx 1.0 0.0 3.46 444 358 A 29 TRP H A 24 SER HBy 1.0 0.0 3.46 445 359 A 29 TRP HD1 A 24 SER HBx 1.0 0.0 4.36 446 359 A 29 TRP HD1 A 24 SER HBy 1.0 0.0 4.36 447 360 A 29 TRP HE1 A 24 SER HBx 1.0 0.0 5.34 448 360 A 29 TRP HE1 A 24 SER HBy 1.0 0.0 5.34 449 361 A 31 LYS H A 24 SER HBx 1.0 0.0 5.03 450 361 A 24 SER HBy A 31 LYS H 1.0 0.0 5.03 451 362 A 31 LYS HBy A 24 SER HBx 1.0 0.0 4.41 452 362 A 31 LYS HBy A 24 SER HBy 1.0 0.0 4.41 453 363 A 24 SER HBy A 31 LYS HGx 1.0 0.0 4.31 454 363 A 24 SER HBx A 31 LYS HGx 1.0 0.0 4.31 455 363 A 31 LYS HGy A 24 SER HBx 1.0 0.0 4.31 456 363 A 31 LYS HGy A 24 SER HBy 1.0 0.0 4.31 457 364 A 24 SER HBx A 31 LYS HDx 1.0 0.0 3.25 458 364 A 24 SER HBy A 31 LYS HDx 1.0 0.0 3.25 459 364 A 31 LYS HDy A 24 SER HBx 1.0 0.0 3.25 460 364 A 31 LYS HDy A 24 SER HBy 1.0 0.0 3.25 461 365 A 25 ARG H A 25 ARG HGy 1.0 0.0 3.69 462 365 A 25 ARG H A 25 ARG HGx 1.0 0.0 3.69 463 366 A 25 ARG HA A 25 ARG HGy 1.0 0.0 3.55 464 366 A 25 ARG HA A 25 ARG HGx 1.0 0.0 3.55 465 367 A 26 LEU H A 26 LEU HBx 1.0 0.0 3.21 466 367 A 26 LEU H A 26 LEU HBy 1.0 0.0 3.21 467 368 A 26 LEU H A 26 LEU HDx% 1.0 0.0 4.37 468 368 A 26 LEU H A 26 LEU HDy% 1.0 0.0 4.37 469 369 A 26 LEU HA A 26 LEU HDx% 1.0 0.0 3.53 470 369 A 26 LEU HA A 26 LEU HDy% 1.0 0.0 3.53 471 370 A 27 HIS H A 26 LEU HBx 1.0 0.0 3.39 472 370 A 27 HIS H A 26 LEU HBy 1.0 0.0 3.39 473 371 A 27 HIS H A 26 LEU HDx% 1.0 0.0 4.55 474 371 A 27 HIS H A 26 LEU HDy% 1.0 0.0 4.55 475 372 A 27 HIS HD2 A 26 LEU HDx% 1.0 0.0 4.78 476 372 A 27 HIS HD2 A 26 LEU HDy% 1.0 0.0 4.78 477 373 A 27 HIS HE1 A 26 LEU HDx% 1.0 0.0 5.44 478 373 A 26 LEU HDy% A 27 HIS HE1 1.0 0.0 5.44 479 374 A 27 HIS H A 27 HIS HBx 1.0 0.0 3.30 480 374 A 27 HIS H A 27 HIS HBy 1.0 0.0 3.30 481 375 A 27 HIS HD2 A 27 HIS HBx 1.0 0.0 3.38 482 375 A 27 HIS HD2 A 27 HIS HBy 1.0 0.0 3.38 483 376 A 28 ARG H A 27 HIS HBx 1.0 0.0 4.05 484 376 A 28 ARG H A 27 HIS HBy 1.0 0.0 4.05 485 377 A 29 TRP HZ2 A 27 HIS HBx 1.0 0.0 4.70 486 377 A 29 TRP HZ2 A 27 HIS HBy 1.0 0.0 4.70 487 378 A 28 ARG H A 28 ARG HBy 1.0 0.0 3.63 488 378 A 28 ARG H A 28 ARG HBx 1.0 0.0 3.63 489 379 A 28 ARG H A 28 ARG HGy 1.0 0.0 3.97 490 379 A 28 ARG H A 28 ARG HGx 1.0 0.0 3.97 491 380 A 28 ARG HA A 28 ARG HGy 1.0 0.0 3.41 492 380 A 28 ARG HA A 28 ARG HGx 1.0 0.0 3.41 493 381 A 31 LYS HGy A 31 LYS H 1.0 0.0 3.39 494 381 A 31 LYS H A 31 LYS HGx 1.0 0.0 3.39 495 382 A 31 LYS HA A 31 LYS HGx 1.0 0.0 3.64 496 382 A 31 LYS HA A 31 LYS HGy 1.0 0.0 3.64 497 383 A 32 TYR H A 31 LYS HGx 1.0 0.0 3.99 498 383 A 32 TYR H A 31 LYS HGy 1.0 0.0 3.99 499 384 A 32 TYR H A 32 TYR HBx 1.0 0.0 3.01 500 384 A 32 TYR H A 32 TYR HBy 1.0 0.0 3.01 501 385 A 33 VAL H A 32 TYR HBx 1.0 0.0 3.75 502 385 A 32 TYR HBy A 33 VAL H 1.0 0.0 3.75 503 386 A 33 VAL HGx% A 33 VAL H 1.0 0.0 3.22 504 386 A 33 VAL H A 33 VAL HGy% 1.0 0.0 3.22 505 387 A 34 PHE H A 34 PHE HBy 1.0 0.0 3.27 506 387 A 34 PHE H A 34 PHE HBx 1.0 0.0 3.27 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-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 24 SER H A 29 TRP O 1.0 0.0 2.3 2 2 A 29 TRP O A 24 SER N 1.0 0.0 3.3 3 3 A 22 VAL O A 31 LYS H 1.0 0.0 2.3 4 4 A 22 VAL O A 31 LYS N 1.0 0.0 3.3 5 5 A 20 ASN O A 33 VAL H 1.0 0.0 2.3 6 6 A 20 ASN O A 33 VAL N 1.0 0.0 3.3 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _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 4 GLY C A 5 ALA N A 5 ALA CA A 5 ALA C 1.0 5.1 105.1 PHI 2 2 A 5 ALA N A 5 ALA CA A 5 ALA C A 6 PHE N 1.0 -6.5 60.5 PSI 3 3 A 5 ALA C A 6 PHE N A 6 PHE CA A 6 PHE C 1.0 40.0 80.0 PHI 4 4 A 6 PHE N A 6 PHE CA A 6 PHE C A 7 ARG N 1.0 -3.8 62.8 PSI 5 5 A 7 ARG C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -119.0 -53.2 PHI 6 6 A 8 LYS N A 8 LYS CA A 8 LYS C A 9 CYS N 1.0 102.1 157.3 PSI 7 7 A 8 LYS C A 9 CYS N A 9 CYS CA A 9 CYS C 1.0 -157.6 -109.2 PHI 8 8 A 9 CYS N A 9 CYS CA A 9 CYS C A 10 ILE N 1.0 120.2 175.4 PSI 9 9 A 9 CYS N A 9 CYS CA A 9 CYS CB A 9 CYS SG 1.0 30.0 90.0 CHI1 10 10 A 9 CYS C A 10 ILE N A 10 ILE CA A 10 ILE C 1.0 -140.8 -60.2 PHI 11 11 A 10 ILE N A 10 ILE CA A 10 ILE C A 11 PRO N 1.0 85.6 188.4 PSI 12 12 A 11 PRO N A 11 PRO CA A 11 PRO C A 12 ASP N 1.0 -59.6 0.4 PSI 13 13 A 11 PRO C A 12 ASP N A 12 ASP CA A 12 ASP C 1.0 -119.5 -59.5 PHI 14 14 A 12 ASP N A 12 ASP CA A 12 ASP C A 13 ASN N 1.0 -11.6 28.4 PSI 15 15 A 13 ASN C A 14 ASP N A 14 ASP CA A 14 ASP C 1.0 -91.0 -51.0 PHI 16 16 A 14 ASP N A 14 ASP CA A 14 ASP C A 15 LYS N 1.0 117.0 161.2 PSI 17 17 A 14 ASP C A 15 LYS N A 15 LYS CA A 15 LYS C 1.0 -120.5 -50.5 PHI 18 18 A 15 LYS N A 15 LYS CA A 15 LYS C A 16 CYS N 1.0 88.6 157.8 PSI 19 19 A 19 PRO C A 20 ASN N A 20 ASN CA A 20 ASN C 1.0 -106.2 -46.2 PHI 20 20 A 20 ASN N A 20 ASN CA A 20 ASN C A 21 LEU N 1.0 -51.4 -11.4 PSI 21 21 A 20 ASN C A 21 LEU N A 21 LEU CA A 21 LEU C 1.0 -160.1 -108.9 PHI 22 22 A 21 LEU N A 21 LEU CA A 21 LEU C A 22 VAL N 1.0 119.9 159.9 PSI 23 23 A 21 LEU C A 22 VAL N A 22 VAL CA A 22 VAL C 1.0 -147.7 -65.1 PHI 24 24 A 22 VAL N A 22 VAL CA A 22 VAL C A 23 CYS N 1.0 94.0 159.6 PSI 25 25 A 22 VAL C A 23 CYS N A 23 CYS CA A 23 CYS C 1.0 -110.6 -40.6 PHI 26 26 A 23 CYS N A 23 CYS CA A 23 CYS C A 24 SER N 1.0 92.9 160.1 PSI 27 27 A 23 CYS C A 24 SER N A 24 SER CA A 24 SER C 1.0 -130.2 -68.4 PHI 28 28 A 24 SER N A 24 SER CA A 24 SER C A 25 ARG N 1.0 81.5 150.7 PSI 29 29 A 24 SER C A 25 ARG N A 25 ARG CA A 25 ARG C 1.0 -85.0 -45.0 PHI 30 30 A 25 ARG N A 25 ARG CA A 25 ARG C A 26 LEU N 1.0 -50.3 -10.3 PSI 31 31 A 25 ARG C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -102.1 -43.3 PHI 32 32 A 26 LEU N A 26 LEU CA A 26 LEU C A 27 HIS N 1.0 -62.1 -0.7 PSI 33 33 A 29 TRP C A 30 CYS N A 30 CYS CA A 30 CYS C 1.0 -114.0 -74.0 PHI 34 34 A 30 CYS N A 30 CYS CA A 30 CYS C A 31 LYS N 1.0 100.5 143.7 PSI 35 35 A 30 CYS N A 30 CYS CA A 30 CYS CB A 30 CYS SG 1.0 -90.0 -30.0 CHI1 36 36 A 30 CYS C A 31 LYS N A 31 LYS CA A 31 LYS C 1.0 -148.3 -87.5 PHI 37 37 A 31 LYS N A 31 LYS CA A 31 LYS C A 32 TYR N 1.0 129.6 169.6 PSI 38 38 A 31 LYS C A 32 TYR N A 32 TYR CA A 32 TYR C 1.0 -95.5 -53.3 PHI 39 39 A 32 TYR N A 32 TYR CA A 32 TYR C A 33 VAL N 1.0 113.9 154.9 PSI stop_ save_