data_nef_c34348_6qes 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 6QES 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 8 CYS SG 1 38 CYS SG 1 15 CYS SG 1 31 CYS SG 1 21 CYS SG 1 39 CYS SG 1 31 CYS SG 1 38 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 LEU start . . 2 A 2 PRO middle . false 3 A 3 ARG middle . . 4 A 4 ASP middle . . 5 A 5 THR middle . . 6 A 6 SER middle . . 7 A 7 ARG middle . . 8 A 8 CYS middle -HG . 9 A 9 VAL middle . . 10 A 10 GLY middle . false 11 A 11 TYR middle . . 12 A 12 HIS middle . . 13 A 13 GLY middle . false 14 A 14 TYR middle . . 15 A 15 CYS middle -HG . 16 A 16 ILE middle . . 17 A 17 ARG middle . . 18 A 18 SER middle . . 19 A 19 LYS middle . . 20 A 20 VAL middle . . 21 A 21 CYS middle -HG . 22 A 22 PRO middle . false 23 A 23 LYS middle . . 24 A 24 PRO middle . true 25 A 25 PHE middle . . 26 A 26 ALA middle . . 27 A 27 ALA middle . . 28 A 28 PHE middle . . 29 A 29 GLY middle . false 30 A 30 THR middle . . 31 A 31 CYS middle -HG . 32 A 32 SER middle . . 33 A 33 TRP middle . . 34 A 34 ARG middle . . 35 A 35 GLN middle . . 36 A 36 LYS middle . . 37 A 37 THR middle . . 38 A 38 CYS middle -HG . 39 A 39 CYS middle -HG . 40 A 40 VAL 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 LEU HA H 1 4.302 0.000 A 1 LEU HB2 H 1 1.453 0.000 A 1 LEU HB3 H 1 1.655 0.000 A 1 LEU HD1% H 1 0.892 0.000 A 1 LEU HD2% H 1 0.892 0.000 A 1 LEU HG H 1 1.633 0.000 A 1 LEU CA C 13 50.266 0.000 A 1 LEU CB C 13 39.973 0.000 A 2 PRO HA H 1 4.001 0.000 A 2 PRO HB2 H 1 1.539 0.000 A 2 PRO HB3 H 1 0.676 0.000 A 2 PRO HD2 H 1 3.743 0.000 A 2 PRO HD3 H 1 3.217 0.000 A 2 PRO HG2 H 1 1.539 0.000 A 2 PRO HG3 H 1 1.660 0.000 A 2 PRO CA C 13 60.691 0.000 A 2 PRO CB C 13 28.760 0.000 A 3 ARG H H 1 7.393 0.000 A 3 ARG HA H 1 3.948 0.000 A 3 ARG HB2 H 1 1.790 0.000 A 3 ARG HB3 H 1 1.906 0.000 A 3 ARG HD2 H 1 3.300 0.000 A 3 ARG HD3 H 1 3.948 0.000 A 3 ARG HE H 1 7.297 0.000 A 3 ARG HG2 H 1 1.679 0.000 A 3 ARG HG3 H 1 1.679 0.000 A 3 ARG CA C 13 56.627 0.000 A 3 ARG CB C 13 27.935 0.000 A 3 ARG N N 15 122.203 0.000 A 4 ASP H H 1 8.479 0.000 A 4 ASP HA H 1 4.254 0.000 A 4 ASP HB2 H 1 2.776 0.000 A 4 ASP HB3 H 1 2.554 0.000 A 4 ASP CA C 13 53.669 0.000 A 4 ASP CB C 13 33.868 0.000 A 4 ASP N N 15 117.153 0.000 A 5 THR H H 1 7.461 0.000 A 5 THR HA H 1 3.950 0.000 A 5 THR HB H 1 4.102 0.000 A 5 THR HG1 H 1 6.639 0.000 A 5 THR HG2% H 1 1.278 0.000 A 5 THR CA C 13 64.275 0.000 A 5 THR CB C 13 65.976 0.000 A 5 THR N N 15 119.094 0.000 A 6 SER H H 1 8.223 0.000 A 6 SER HA H 1 3.910 0.000 A 6 SER HB2 H 1 3.828 0.000 A 6 SER HB3 H 1 3.827 0.000 A 6 SER N N 15 115.075 0.000 A 7 ARG H H 1 7.762 0.000 A 7 ARG HA H 1 3.977 0.000 A 7 ARG HB2 H 1 1.934 0.000 A 7 ARG HB3 H 1 1.935 0.000 A 7 ARG HD2 H 1 3.208 0.000 A 7 ARG HD3 H 1 3.208 0.000 A 7 ARG HE H 1 7.216 0.000 A 7 ARG HG2 H 1 1.735 0.000 A 7 ARG HG3 H 1 1.586 0.000 A 7 ARG CB C 13 30.366 0.000 A 7 ARG N N 15 123.221 0.000 A 8 CYS H H 1 8.222 0.000 A 8 CYS HA H 1 4.333 0.000 A 8 CYS HB2 H 1 3.067 0.000 A 8 CYS HB3 H 1 3.067 0.000 A 8 CYS CA C 13 56.750 0.000 A 8 CYS CB C 13 38.533 0.000 A 8 CYS N N 15 119.225 0.000 A 9 VAL H H 1 8.541 0.000 A 9 VAL HA H 1 3.783 0.000 A 9 VAL HB H 1 2.087 0.000 A 9 VAL HG1% H 1 0.911 0.000 A 9 VAL HG2% H 1 0.967 0.000 A 9 VAL CA C 13 63.105 0.000 A 9 VAL CB C 13 29.037 0.000 A 9 VAL N N 15 118.030 0.000 A 10 GLY H H 1 8.034 0.000 A 10 GLY HA2 H 1 3.816 0.000 A 10 GLY HA3 H 1 3.816 0.000 A 10 GLY CA C 13 43.992 0.000 A 10 GLY N N 15 111.313 0.000 A 11 TYR H H 1 7.432 0.000 A 11 TYR HA H 1 4.602 0.000 A 11 TYR HB2 H 1 3.343 0.000 A 11 TYR HB3 H 1 2.847 0.000 A 11 TYR HD1 H 1 7.197 0.000 A 11 TYR HD2 H 1 7.197 0.000 A 11 TYR HE1 H 1 6.779 0.000 A 11 TYR HE2 H 1 6.779 0.000 A 11 TYR CA C 13 54.835 0.000 A 11 TYR CB C 13 35.359 0.000 A 11 TYR N N 15 119.082 0.000 A 12 HIS H H 1 8.180 0.000 A 12 HIS HA H 1 4.393 0.000 A 12 HIS HB2 H 1 3.519 0.000 A 12 HIS HB3 H 1 3.611 0.000 A 12 HIS HD2 H 1 7.258 0.000 A 12 HIS HE1 H 1 8.598 0.000 A 12 HIS CA C 13 53.704 0.000 A 12 HIS CB C 13 22.856 0.000 A 12 HIS N N 15 113.209 0.000 A 13 GLY H H 1 8.305 0.000 A 13 GLY HA2 H 1 3.520 0.000 A 13 GLY HA3 H 1 4.672 0.000 A 13 GLY CA C 13 42.388 0.000 A 13 GLY N N 15 106.528 0.000 A 14 TYR H H 1 8.585 0.000 A 14 TYR HA H 1 4.800 0.000 A 14 TYR HB2 H 1 2.812 0.000 A 14 TYR HB3 H 1 2.733 0.000 A 14 TYR HD1 H 1 6.746 0.000 A 14 TYR HD2 H 1 6.746 0.000 A 14 TYR HE1 H 1 6.076 0.000 A 14 TYR HE2 H 1 6.076 0.000 A 14 TYR CA C 13 52.809 0.000 A 14 TYR CB C 13 38.108 0.000 A 14 TYR N N 15 115.885 0.000 A 15 CYS H H 1 8.552 0.000 A 15 CYS HA H 1 5.461 0.000 A 15 CYS HB2 H 1 2.876 0.000 A 15 CYS HB3 H 1 2.521 0.000 A 15 CYS CA C 13 50.942 0.000 A 15 CYS CB C 13 38.471 0.000 A 15 CYS N N 15 120.625 0.000 A 16 ILE H H 1 9.307 0.000 A 16 ILE HA H 1 4.828 0.000 A 16 ILE HB H 1 1.933 0.000 A 16 ILE HD1% H 1 0.805 0.000 A 16 ILE HG12 H 1 1.579 0.000 A 16 ILE HG13 H 1 1.006 0.000 A 16 ILE HG2% H 1 0.862 0.000 A 16 ILE CA C 13 56.950 0.000 A 16 ILE CB C 13 40.157 0.000 A 16 ILE CD1 C 13 12.602 0.000 A 16 ILE CG1 C 13 23.483 0.000 A 16 ILE CG2 C 13 15.465 0.000 A 16 ILE N N 15 120.270 0.000 A 17 ARG H H 1 8.785 0.000 A 17 ARG HA H 1 4.430 0.000 A 17 ARG HB2 H 1 1.734 0.000 A 17 ARG HB3 H 1 1.995 0.000 A 17 ARG HD2 H 1 3.258 0.000 A 17 ARG HD3 H 1 3.258 0.000 A 17 ARG HE H 1 7.269 0.000 A 17 ARG HG2 H 1 1.654 0.000 A 17 ARG HG3 H 1 1.654 0.000 A 17 ARG CA C 13 54.388 0.000 A 17 ARG CB C 13 27.365 0.000 A 17 ARG N N 15 123.769 0.000 A 18 SER H H 1 7.598 0.000 A 18 SER HA H 1 4.429 0.000 A 18 SER HB2 H 1 3.748 0.000 A 18 SER HB3 H 1 4.003 0.000 A 18 SER CA C 13 54.941 0.000 A 18 SER CB C 13 60.691 0.000 A 18 SER N N 15 114.847 0.000 A 19 LYS H H 1 8.408 0.000 A 19 LYS HA H 1 4.240 0.000 A 19 LYS HB2 H 1 1.930 0.000 A 19 LYS HB3 H 1 1.767 0.000 A 19 LYS HD2 H 1 1.647 0.000 A 19 LYS HD3 H 1 1.647 0.000 A 19 LYS HE2 H 1 2.983 0.000 A 19 LYS HE3 H 1 2.983 0.000 A 19 LYS HG2 H 1 1.524 0.000 A 19 LYS HG3 H 1 1.446 0.000 A 19 LYS CA C 13 54.618 0.000 A 19 LYS CB C 13 30.372 0.000 A 19 LYS N N 15 120.493 0.000 A 20 VAL H H 1 7.699 0.000 A 20 VAL HA H 1 4.261 0.000 A 20 VAL HB H 1 1.930 0.000 A 20 VAL HG1% H 1 0.882 0.000 A 20 VAL HG2% H 1 0.836 0.000 A 20 VAL CA C 13 57.617 0.000 A 20 VAL CB C 13 31.528 0.000 A 20 VAL N N 15 115.843 0.000 A 21 CYS H H 1 8.761 0.000 A 21 CYS HA H 1 4.687 0.000 A 21 CYS HB2 H 1 2.581 0.000 A 21 CYS HB3 H 1 2.581 0.000 A 21 CYS CA C 13 51.728 0.000 A 21 CYS CB C 13 39.020 0.000 A 21 CYS N N 15 124.217 0.000 A 22 PRO HA H 1 4.548 0.000 A 22 PRO HB2 H 1 2.272 0.000 A 22 PRO HB3 H 1 2.018 0.000 A 22 PRO HD2 H 1 3.747 0.000 A 22 PRO HD3 H 1 3.837 0.000 A 22 PRO HG2 H 1 2.226 0.000 A 22 PRO HG3 H 1 2.130 0.000 A 22 PRO CA C 13 59.597 0.000 A 22 PRO CB C 13 28.905 0.000 A 22 PRO CG C 13 24.838 0.000 A 23 LYS H H 1 8.496 0.000 A 23 LYS HA H 1 4.406 0.000 A 23 LYS HB2 H 1 1.732 0.000 A 23 LYS HB3 H 1 1.732 0.000 A 23 LYS HD2 H 1 1.617 0.000 A 23 LYS HD3 H 1 1.617 0.000 A 23 LYS HE2 H 1 3.008 0.000 A 23 LYS HE3 H 1 3.008 0.000 A 23 LYS HG2 H 1 1.481 0.000 A 23 LYS HG3 H 1 1.481 0.000 A 23 LYS CA C 13 52.933 0.000 A 23 LYS CB C 13 28.810 0.000 A 23 LYS N N 15 122.669 0.000 A 24 PRO HA H 1 4.576 0.000 A 24 PRO HB2 H 1 1.873 0.000 A 24 PRO HB3 H 1 2.346 0.000 A 24 PRO HD2 H 1 2.790 0.000 A 24 PRO HD3 H 1 3.306 0.000 A 24 PRO HG2 H 1 0.997 0.000 A 24 PRO HG3 H 1 0.997 0.000 A 24 PRO CA C 13 61.129 0.000 A 24 PRO CB C 13 29.831 0.000 A 25 PHE H H 1 8.989 0.000 A 25 PHE HA H 1 4.638 0.000 A 25 PHE HB2 H 1 3.219 0.000 A 25 PHE HB3 H 1 2.944 0.000 A 25 PHE HD1 H 1 7.200 0.000 A 25 PHE HD2 H 1 7.200 0.000 A 25 PHE HE1 H 1 7.396 0.000 A 25 PHE HE2 H 1 7.396 0.000 A 25 PHE CA C 13 55.269 0.000 A 25 PHE CB C 13 37.734 0.000 A 25 PHE N N 15 125.539 0.000 A 26 ALA H H 1 8.933 0.000 A 26 ALA HA H 1 4.656 0.000 A 26 ALA HB% H 1 1.393 0.000 A 26 ALA CA C 13 48.098 0.000 A 26 ALA CB C 13 19.946 0.000 A 26 ALA N N 15 121.283 0.000 A 27 ALA H H 1 8.370 0.000 A 27 ALA HA H 1 4.795 0.000 A 27 ALA HB% H 1 1.403 0.000 A 27 ALA CA C 13 50.259 0.000 A 27 ALA CB C 13 16.063 0.000 A 27 ALA N N 15 124.801 0.000 A 28 PHE H H 1 9.238 0.000 A 28 PHE HA H 1 4.637 0.000 A 28 PHE HB2 H 1 2.898 0.000 A 28 PHE HB3 H 1 2.699 0.000 A 28 PHE HD1 H 1 7.046 0.000 A 28 PHE HD2 H 1 7.046 0.000 A 28 PHE HE1 H 1 6.868 0.000 A 28 PHE HE2 H 1 6.868 0.000 A 28 PHE HZ H 1 6.914 0.000 A 28 PHE CA C 13 54.279 0.000 A 28 PHE CB C 13 37.891 0.000 A 28 PHE N N 15 128.388 0.000 A 29 GLY H H 1 8.213 0.000 A 29 GLY HA2 H 1 3.712 0.000 A 29 GLY HA3 H 1 4.173 0.000 A 29 GLY CA C 13 41.750 0.000 A 29 GLY N N 15 109.682 0.000 A 30 THR H H 1 7.991 0.000 A 30 THR HA H 1 5.003 0.000 A 30 THR HB H 1 4.503 0.000 A 30 THR HG2% H 1 1.061 0.000 A 30 THR CA C 13 58.131 0.000 A 30 THR CB C 13 70.297 0.000 A 31 CYS H H 1 7.794 0.000 A 31 CYS HA H 1 4.307 0.000 A 31 CYS HB2 H 1 3.217 0.000 A 31 CYS HB3 H 1 3.025 0.000 A 31 CYS CB C 13 45.239 0.000 A 31 CYS N N 15 111.216 0.000 A 32 SER H H 1 8.223 0.000 A 32 SER HA H 1 4.163 0.000 A 32 SER HB2 H 1 3.610 0.000 A 32 SER HB3 H 1 3.427 0.000 A 32 SER CA C 13 58.467 0.000 A 32 SER CB C 13 58.492 0.000 A 32 SER N N 15 112.295 0.000 A 33 TRP H H 1 10.387 0.000 A 33 TRP HA H 1 4.206 0.000 A 33 TRP HB2 H 1 3.581 0.000 A 33 TRP HB3 H 1 3.253 0.000 A 33 TRP HD1 H 1 7.255 0.000 A 33 TRP HE1 H 1 10.286 0.000 A 33 TRP HE3 H 1 7.597 0.000 A 33 TRP HH2 H 1 7.297 0.000 A 33 TRP HZ2 H 1 7.597 0.000 A 33 TRP HZ3 H 1 7.167 0.000 A 33 TRP CA C 13 54.672 0.000 A 33 TRP CB C 13 23.122 0.000 A 34 ARG H H 1 9.312 0.000 A 34 ARG HA H 1 3.586 0.000 A 34 ARG HB2 H 1 2.351 0.000 A 34 ARG HB3 H 1 2.086 0.000 A 34 ARG HD2 H 1 3.222 0.000 A 34 ARG HD3 H 1 3.222 0.000 A 34 ARG HE H 1 7.215 0.000 A 34 ARG HG2 H 1 1.612 0.000 A 34 ARG HG3 H 1 1.477 0.000 A 34 ARG CA C 13 55.419 0.000 A 34 ARG CB C 13 24.697 0.000 A 34 ARG N N 15 110.941 0.000 A 35 GLN H H 1 7.835 0.000 A 35 GLN HA H 1 4.305 0.000 A 35 GLN HB2 H 1 2.112 0.000 A 35 GLN HB3 H 1 2.331 0.000 A 35 GLN HE21 H 1 6.942 0.000 A 35 GLN HE22 H 1 7.621 0.000 A 35 GLN HG2 H 1 2.521 0.000 A 35 GLN HG3 H 1 2.725 0.000 A 35 GLN CB C 13 27.416 0.000 A 35 GLN N N 15 117.765 0.000 A 36 LYS H H 1 8.244 0.000 A 36 LYS HA H 1 4.780 0.000 A 36 LYS HB2 H 1 1.171 0.000 A 36 LYS HB3 H 1 1.822 0.000 A 36 LYS HD2 H 1 1.470 0.000 A 36 LYS HD3 H 1 1.470 0.000 A 36 LYS HE2 H 1 2.799 0.000 A 36 LYS HE3 H 1 2.861 0.000 A 36 LYS HG2 H 1 1.306 0.000 A 36 LYS HG3 H 1 1.306 0.000 A 36 LYS CA C 13 51.659 0.000 A 36 LYS CB C 13 35.094 0.000 A 36 LYS N N 15 117.144 0.000 A 37 THR H H 1 9.014 0.000 A 37 THR HA H 1 4.217 0.000 A 37 THR HB H 1 3.952 0.000 A 37 THR HG2% H 1 1.096 0.000 A 37 THR CA C 13 60.609 0.000 A 37 THR CB C 13 67.899 0.000 A 37 THR N N 15 121.399 0.000 A 38 CYS H H 1 7.794 0.000 A 38 CYS HA H 1 4.882 0.000 A 38 CYS HB2 H 1 2.444 0.000 A 38 CYS HB3 H 1 2.972 0.000 A 38 CYS CA C 13 52.383 0.000 A 38 CYS CB C 13 37.558 0.000 A 38 CYS N N 15 124.640 0.000 A 39 CYS H H 1 9.335 0.000 A 39 CYS HA H 1 5.313 0.000 A 39 CYS HB2 H 1 2.489 0.000 A 39 CYS HB3 H 1 1.873 0.000 A 39 CYS CA C 13 50.285 0.000 A 39 CYS CB C 13 38.674 0.000 A 39 CYS N N 15 128.409 0.000 A 40 VAL H H 1 9.216 0.000 A 40 VAL HA H 1 4.585 0.000 A 40 VAL HB H 1 1.967 0.000 A 40 VAL HG1% H 1 0.834 0.000 A 40 VAL HG2% H 1 0.882 0.000 A 40 VAL CA C 13 57.527 0.000 A 40 VAL CB C 13 32.858 0.000 A 40 VAL N N 15 118.684 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type . save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _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 18 SER H A 17 ARG HA 1.0 1.544 2.636 2 1 A 18 SER H A 18 SER HA 1.0 1.544 2.636 3 2 A 33 TRP HZ2 A 2 PRO HA 1.0 1.670 3.082 4 2 A 18 SER H A 18 SER HB3 1.0 1.670 3.082 5 3 A 5 THR HA A 32 SER H 1.0 1.619 2.891 6 3 A 5 THR HA A 6 SER H 1.0 1.619 2.891 7 3 A 8 CYS H A 5 THR HA 1.0 1.619 2.891 8 4 A 6 SER H A 6 SER HB3 1.0 1.589 2.785 9 4 A 6 SER H A 6 SER HB2 1.0 1.589 2.785 10 5 A 6 SER HB2 A 7 ARG H 1.0 1.784 3.588 11 5 A 6 SER HB3 A 7 ARG H 1.0 1.784 3.588 12 6 A 10 GLY H A 10 GLY HA3 1.0 1.692 3.168 13 6 A 10 GLY H A 10 GLY HA2 1.0 1.692 3.168 14 7 A 34 ARG H A 34 ARG HA 1.0 1.687 3.149 15 7 A 34 ARG H A 33 TRP HB2 1.0 1.687 3.149 16 8 A 7 ARG HE A 7 ARG HD3 1.0 1.657 3.029 17 8 A 7 ARG HE A 7 ARG HD2 1.0 1.657 3.029 18 8 A 34 ARG HE A 34 ARG HD3 1.0 1.657 3.029 19 8 A 34 ARG HE A 34 ARG HD2 1.0 1.657 3.029 20 9 A 9 VAL H A 8 CYS HB3 1.0 1.640 2.964 21 9 A 9 VAL H A 8 CYS HB2 1.0 1.640 2.964 22 10 A 8 CYS H A 8 CYS HB3 1.0 1.516 2.550 23 10 A 8 CYS H A 8 CYS HB2 1.0 1.516 2.550 24 11 A 21 CYS H A 21 CYS HB3 1.0 1.595 2.803 25 11 A 21 CYS H A 21 CYS HB2 1.0 1.595 2.803 26 12 A 8 CYS H A 7 ARG HB2 1.0 1.574 2.732 27 12 A 8 CYS H A 7 ARG HB3 1.0 1.574 2.732 28 13 A 7 ARG H A 7 ARG HB2 1.0 1.577 2.745 29 13 A 7 ARG H A 7 ARG HB3 1.0 1.577 2.745 30 14 A 25 PHE H A 23 LYS HB2 1.0 1.843 3.919 31 14 A 25 PHE H A 23 LYS HB3 1.0 1.843 3.919 32 15 A 23 LYS HB2 A 23 LYS H 1.0 1.521 2.563 33 15 A 23 LYS HB3 A 23 LYS H 1.0 1.521 2.563 34 16 A 23 LYS H A 23 LYS HD3 1.0 1.725 3.309 35 16 A 23 LYS H A 23 LYS HD2 1.0 1.725 3.309 36 17 A 23 LYS H A 23 LYS HG2 1.0 1.799 3.667 37 17 A 23 LYS H A 23 LYS HG3 1.0 1.799 3.667 38 18 A 28 PHE H A 27 ALA HB% 1.0 0.000 6.000 39 18 A 28 PHE H A 26 ALA HB% 1.0 0.000 6.000 40 19 A 6 SER H A 5 THR HG2% 1.0 1.686 3.146 41 19 A 32 SER H A 5 THR HG2% 1.0 1.686 3.146 42 20 A 6 SER H A 1 LEU HD1% 1.0 1.665 3.063 43 20 A 6 SER H A 1 LEU HD2% 1.0 1.665 3.063 44 21 A 16 ILE H A 37 THR HB 1.0 1.907 4.367 45 21 A 34 ARG H A 3 ARG HD3 1.0 1.907 4.367 46 22 A 10 GLY HA2 A 11 TYR H 1.0 1.877 4.139 47 22 A 10 GLY HA3 A 11 TYR H 1.0 1.877 4.139 48 23 A 3 ARG H A 3 ARG HD2 1.0 1.935 4.627 49 23 A 24 PRO HD3 A 25 PHE HE1 1.0 1.935 4.627 50 23 A 25 PHE HE2 A 24 PRO HD3 1.0 1.935 4.627 51 24 A 34 ARG H A 34 ARG HD3 1.0 1.959 4.903 52 24 A 34 ARG H A 34 ARG HD2 1.0 1.959 4.903 53 24 A 16 ILE H A 31 CYS HB3 1.0 1.959 4.903 54 25 A 5 THR H A 2 PRO HD2 1.0 1.957 4.871 55 25 A 31 CYS HB3 A 5 THR H 1.0 1.957 4.871 56 26 A 3 ARG H A 2 PRO HD2 1.0 1.946 4.740 57 26 A 25 PHE HE1 A 25 PHE HB3 1.0 1.946 4.740 58 26 A 25 PHE HE2 A 25 PHE HB3 1.0 1.946 4.740 59 27 A 7 ARG HD3 A 11 TYR HE2 1.0 1.958 4.880 60 27 A 7 ARG HD3 A 11 TYR HE1 1.0 1.958 4.880 61 27 A 7 ARG HD2 A 11 TYR HE1 1.0 1.958 4.880 62 27 A 7 ARG HD2 A 11 TYR HE2 1.0 1.958 4.880 63 28 A 21 CYS HB2 A 25 PHE H 1.0 1.914 4.426 64 28 A 21 CYS HB3 A 25 PHE H 1.0 1.914 4.426 65 29 A 21 CYS HB2 A 26 ALA H 1.0 1.954 4.830 66 29 A 21 CYS HB3 A 26 ALA H 1.0 1.954 4.830 67 30 A 21 CYS HB2 A 25 PHE HD2 1.0 1.938 4.654 68 30 A 21 CYS HB2 A 25 PHE HD1 1.0 1.938 4.654 69 30 A 21 CYS HB3 A 25 PHE HD1 1.0 1.938 4.654 70 30 A 21 CYS HB3 A 25 PHE HD2 1.0 1.938 4.654 71 31 A 21 CYS HB3 A 27 ALA H 1.0 1.860 4.024 72 31 A 21 CYS HB2 A 27 ALA H 1.0 1.860 4.024 73 32 A 7 ARG HE A 7 ARG HB3 1.0 1.904 4.346 74 32 A 7 ARG HE A 7 ARG HB2 1.0 1.904 4.346 75 33 A 7 ARG HB2 A 11 TYR HE1 1.0 1.950 4.784 76 33 A 7 ARG HB2 A 11 TYR HE2 1.0 1.950 4.784 77 33 A 7 ARG HB3 A 11 TYR HE1 1.0 1.950 4.784 78 33 A 7 ARG HB3 A 11 TYR HE2 1.0 1.950 4.784 79 34 A 4 ASP H A 3 ARG HG2 1.0 1.940 4.676 80 34 A 4 ASP H A 3 ARG HG3 1.0 1.940 4.676 81 35 A 3 ARG HG2 A 3 ARG HE 1.0 1.960 4.910 82 35 A 3 ARG HG3 A 3 ARG HE 1.0 1.960 4.910 83 36 A 18 SER H A 17 ARG HG3 1.0 1.950 4.786 84 36 A 18 SER H A 17 ARG HG2 1.0 1.950 4.786 85 36 A 33 TRP HZ2 A 2 PRO HG3 1.0 1.950 4.786 86 37 A 5 THR H A 1 LEU HB3 1.0 1.960 4.906 87 37 A 5 THR H A 2 PRO HG3 1.0 1.960 4.906 88 38 A 37 THR H A 36 LYS HG3 1.0 1.947 4.745 89 38 A 37 THR H A 36 LYS HG2 1.0 1.947 4.745 90 39 A 18 SER H A 36 LYS HG3 1.0 0.000 6.000 91 39 A 18 SER H A 36 LYS HG2 1.0 0.000 6.000 92 40 A 36 LYS HG3 A 33 TRP HD1 1.0 1.914 4.424 93 40 A 36 LYS HG2 A 33 TRP HD1 1.0 1.914 4.424 94 41 A 25 PHE HE1 A 24 PRO HG2 1.0 1.960 4.900 95 41 A 25 PHE HE2 A 24 PRO HG2 1.0 1.960 4.900 96 41 A 25 PHE HE1 A 24 PRO HG3 1.0 1.960 4.900 97 41 A 25 PHE HE2 A 24 PRO HG3 1.0 1.960 4.900 98 42 A 25 PHE H A 24 PRO HG2 1.0 1.943 4.715 99 42 A 25 PHE H A 24 PRO HG3 1.0 1.943 4.715 100 43 A 25 PHE HD2 A 24 PRO HG2 1.0 1.927 4.551 101 43 A 25 PHE HD1 A 24 PRO HG2 1.0 1.927 4.551 102 43 A 25 PHE HD1 A 24 PRO HG3 1.0 1.927 4.551 103 43 A 25 PHE HD2 A 24 PRO HG3 1.0 1.927 4.551 104 44 A 8 CYS H A 9 VAL HG1% 1.0 1.883 4.181 105 44 A 6 SER H A 9 VAL HG1% 1.0 1.883 4.181 106 45 A 40 VAL HG1% A 11 TYR HD2 1.0 1.851 3.969 107 45 A 25 PHE HD2 A 40 VAL HG1% 1.0 1.851 3.969 108 45 A 40 VAL HG1% A 11 TYR HD1 1.0 1.851 3.969 109 45 A 25 PHE HD1 A 40 VAL HG1% 1.0 1.851 3.969 110 46 A 37 THR HB A 31 CYS H 1.0 1.963 4.949 111 46 A 37 THR HB A 38 CYS H 1.0 1.963 4.949 112 47 A 33 TRP HZ2 A 32 SER HB3 1.0 0.000 6.000 113 47 A 33 TRP HE3 A 32 SER HB3 1.0 0.000 6.000 114 48 A 17 ARG H A 17 ARG HD2 1.0 1.984 5.314 115 48 A 17 ARG H A 17 ARG HD3 1.0 1.984 5.314 116 49 A 7 ARG H A 7 ARG HD2 1.0 1.994 5.562 117 49 A 7 ARG H A 7 ARG HD3 1.0 1.994 5.562 118 50 A 7 ARG HD2 A 28 PHE HD2 1.0 1.999 5.919 119 50 A 7 ARG HD2 A 28 PHE HD1 1.0 1.999 5.919 120 50 A 7 ARG HD3 A 28 PHE HD1 1.0 1.999 5.919 121 50 A 7 ARG HD3 A 28 PHE HD2 1.0 1.999 5.919 122 51 A 19 LYS H A 19 LYS HE3 1.0 1.991 6.543 123 51 A 19 LYS H A 19 LYS HE2 1.0 1.991 6.543 124 52 A 10 GLY H A 8 CYS HB2 1.0 1.995 5.581 125 52 A 10 GLY H A 8 CYS HB3 1.0 1.995 5.581 126 53 A 7 ARG H A 8 CYS HB3 1.0 1.983 5.285 127 53 A 7 ARG H A 8 CYS HB2 1.0 1.983 5.285 128 54 A 8 CYS HB3 A 28 PHE HZ 1.0 2.000 6.026 129 54 A 8 CYS HB2 A 28 PHE HZ 1.0 2.000 6.026 130 55 A 23 LYS H A 23 LYS HE3 1.0 1.998 5.776 131 55 A 23 LYS H A 23 LYS HE2 1.0 1.998 5.776 132 56 A 6 SER H A 4 ASP HB2 1.0 1.991 5.473 133 56 A 8 CYS H A 4 ASP HB2 1.0 1.991 5.473 134 57 A 21 CYS HB3 A 40 VAL H 1.0 1.999 5.905 135 57 A 21 CYS HB2 A 40 VAL H 1.0 1.999 5.905 136 58 A 10 GLY H A 7 ARG HB2 1.0 1.996 5.658 137 58 A 10 GLY H A 7 ARG HB3 1.0 1.996 5.658 138 59 A 9 VAL H A 7 ARG HB2 1.0 1.996 5.634 139 59 A 9 VAL H A 7 ARG HB3 1.0 1.996 5.634 140 60 A 3 ARG H A 3 ARG HG3 1.0 1.990 5.450 141 60 A 3 ARG H A 3 ARG HG2 1.0 1.990 5.450 142 61 A 3 ARG HG3 A 33 TRP HZ3 1.0 1.999 5.891 143 61 A 3 ARG HG2 A 33 TRP HZ3 1.0 1.999 5.891 144 62 A 17 ARG HG3 A 17 ARG H 1.0 1.969 5.035 145 62 A 17 ARG HG2 A 17 ARG H 1.0 1.969 5.035 146 63 A 19 LYS H A 19 LYS HD3 1.0 1.998 5.742 147 63 A 19 LYS H A 19 LYS HD2 1.0 1.998 5.742 148 64 A 25 PHE H A 23 LYS HG3 1.0 1.994 5.572 149 64 A 25 PHE H A 23 LYS HG2 1.0 1.994 5.572 150 65 A 16 ILE H A 36 LYS HG2 1.0 1.977 5.175 151 65 A 16 ILE H A 36 LYS HG3 1.0 1.977 5.175 152 66 A 36 LYS HG2 A 35 GLN H 1.0 1.990 5.438 153 66 A 36 LYS HG3 A 35 GLN H 1.0 1.990 5.438 154 67 A 36 LYS HG3 A 17 ARG H 1.0 1.995 5.597 155 67 A 36 LYS HG2 A 17 ARG H 1.0 1.995 5.597 156 68 A 7 ARG H A 1 LEU HD1% 1.0 1.999 6.171 157 68 A 7 ARG H A 1 LEU HD2% 1.0 1.999 6.171 158 69 A 33 TRP HE3 A 2 PRO HB2 1.0 1.977 5.159 159 69 A 33 TRP HZ2 A 2 PRO HB2 1.0 1.977 5.159 160 70 A 37 THR H A 38 CYS H 1.0 1.984 5.312 161 70 A 37 THR H A 31 CYS H 1.0 1.984 5.312 162 71 A 6 SER H A 7 ARG H 1.0 1.529 2.587 163 71 A 8 CYS H A 7 ARG H 1.0 1.529 2.587 164 72 A 6 SER H A 3 ARG H 1.0 0.000 6.000 165 72 A 32 SER H A 3 ARG H 1.0 0.000 6.000 166 73 A 26 ALA HB% A 39 CYS HA 1.0 1.902 4.330 167 73 A 27 ALA HB% A 39 CYS HA 1.0 1.902 4.330 168 74 A 25 PHE H A 23 LYS HD3 1.0 1.994 6.470 169 74 A 25 PHE H A 23 LYS HD2 1.0 1.994 6.470 170 75 A 37 THR H A 36 LYS HD2 1.0 1.997 6.351 171 75 A 37 THR H A 36 LYS HD3 1.0 1.997 6.351 172 76 A 19 LYS HD2 A 20 VAL H 1.0 1.948 7.350 173 76 A 19 LYS HD3 A 20 VAL H 1.0 1.948 7.350 174 77 A 36 LYS HG2 A 36 LYS H 1.0 1.872 4.102 175 77 A 36 LYS HG3 A 36 LYS H 1.0 1.872 4.102 176 78 A 1 LEU HD2% A 5 THR H 1.0 1.998 6.248 177 78 A 1 LEU HD1% A 5 THR H 1.0 1.998 6.248 178 79 A 21 CYS HB2 A 14 TYR HE2 1.0 1.977 6.871 179 79 A 21 CYS HB2 A 14 TYR HE1 1.0 1.977 6.871 180 79 A 21 CYS HB3 A 14 TYR HE1 1.0 1.977 6.871 181 79 A 21 CYS HB3 A 14 TYR HE2 1.0 1.977 6.871 182 80 A 8 CYS H A 9 VAL HB 1.0 1.959 4.897 183 80 A 6 SER H A 9 VAL HB 1.0 1.959 4.897 184 81 A 7 ARG HE A 7 ARG HG3 1.0 1.912 4.412 185 81 A 34 ARG HE A 34 ARG HG2 1.0 1.912 4.412 186 82 A 36 LYS HD3 A 36 LYS H 1.0 1.989 5.409 187 82 A 36 LYS HD2 A 36 LYS H 1.0 1.989 5.409 188 83 A 25 PHE HD1 A 40 VAL HG2% 1.0 1.885 4.199 189 83 A 11 TYR HD1 A 40 VAL HG2% 1.0 1.885 4.199 190 83 A 25 PHE HD2 A 40 VAL HG2% 1.0 1.885 4.199 191 83 A 11 TYR HD2 A 40 VAL HG2% 1.0 1.885 4.199 192 84 A 8 CYS HB2 A 28 PHE HE1 1.0 1.985 6.707 193 84 A 8 CYS HB2 A 28 PHE HE2 1.0 1.985 6.707 194 84 A 8 CYS HB3 A 28 PHE HE1 1.0 1.985 6.707 195 84 A 8 CYS HB3 A 28 PHE HE2 1.0 1.985 6.707 196 85 A 21 CYS HB3 A 25 PHE HE2 1.0 1.984 6.744 197 85 A 21 CYS HB3 A 25 PHE HE1 1.0 1.984 6.744 198 85 A 21 CYS HB2 A 25 PHE HE1 1.0 1.984 6.744 199 85 A 21 CYS HB2 A 25 PHE HE2 1.0 1.984 6.744 200 86 A 25 PHE HD1 A 13 GLY H 1.0 1.999 5.857 201 86 A 25 PHE HD2 A 13 GLY H 1.0 1.999 5.857 202 86 A 11 TYR HD2 A 13 GLY H 1.0 1.999 5.857 203 86 A 11 TYR HD1 A 13 GLY H 1.0 1.999 5.857 204 87 A 21 CYS HB2 A 39 CYS HA 1.0 1.988 5.408 205 87 A 21 CYS HB3 A 39 CYS HA 1.0 1.988 5.408 206 88 A 36 LYS HD2 A 15 CYS HA 1.0 1.992 6.522 207 88 A 36 LYS HD3 A 15 CYS HA 1.0 1.992 6.522 208 89 A 36 LYS HG3 A 15 CYS HA 1.0 0.000 6.000 209 89 A 36 LYS HG2 A 15 CYS HA 1.0 0.000 6.000 210 90 A 33 TRP HB2 A 35 GLN HA 1.0 2.000 5.970 211 90 A 34 ARG HA A 35 GLN HA 1.0 2.000 5.970 212 91 A 32 SER HB3 A 31 CYS HA 1.0 1.991 5.473 213 91 A 32 SER HB3 A 1 LEU HA 1.0 1.991 5.473 214 92 A 17 ARG HA A 17 ARG HD2 1.0 1.928 4.560 215 92 A 17 ARG HA A 17 ARG HD3 1.0 1.928 4.560 216 93 A 2 PRO HD2 A 1 LEU HA 1.0 1.673 3.095 217 93 A 31 CYS HB3 A 31 CYS HA 1.0 1.673 3.095 218 94 A 5 THR HA A 8 CYS HB3 1.0 1.784 3.590 219 94 A 5 THR HA A 8 CYS HB2 1.0 1.784 3.590 220 95 A 8 CYS HB3 A 8 CYS HA 1.0 1.813 3.741 221 95 A 8 CYS HB2 A 8 CYS HA 1.0 1.813 3.741 222 96 A 21 CYS HB3 A 26 ALA HA 1.0 1.790 3.622 223 96 A 21 CYS HB2 A 26 ALA HA 1.0 1.790 3.622 224 97 A 23 LYS HB2 A 24 PRO HA 1.0 1.674 3.094 225 97 A 23 LYS HB3 A 24 PRO HA 1.0 1.674 3.094 226 98 A 17 ARG HA A 16 ILE HB 1.0 1.963 4.955 227 98 A 18 SER HA A 19 LYS HB2 1.0 1.963 4.955 228 99 A 23 LYS HB3 A 23 LYS HA 1.0 1.633 2.939 229 99 A 23 LYS HB2 A 23 LYS HA 1.0 1.633 2.939 230 100 A 17 ARG HA A 17 ARG HG2 1.0 1.833 3.855 231 100 A 17 ARG HA A 17 ARG HG3 1.0 1.833 3.855 232 101 A 23 LYS HD2 A 23 LYS HA 1.0 1.878 4.148 233 101 A 23 LYS HD3 A 23 LYS HA 1.0 1.878 4.148 234 102 A 23 LYS HD3 A 24 PRO HA 1.0 1.893 4.259 235 102 A 23 LYS HD2 A 24 PRO HA 1.0 1.893 4.259 236 103 A 23 LYS HG2 A 24 PRO HA 1.0 1.946 4.742 237 103 A 23 LYS HG3 A 24 PRO HA 1.0 1.946 4.742 238 104 A 23 LYS HG3 A 23 LYS HA 1.0 1.878 4.142 239 104 A 23 LYS HG2 A 23 LYS HA 1.0 1.878 4.142 240 105 A 17 ARG HA A 36 LYS HG3 1.0 1.887 4.215 241 105 A 17 ARG HA A 36 LYS HG2 1.0 1.887 4.215 242 106 A 21 CYS HB3 A 22 PRO HD2 1.0 1.940 4.680 243 106 A 21 CYS HB2 A 22 PRO HD2 1.0 1.940 4.680 244 107 A 5 THR HA A 4 ASP HB3 1.0 1.566 10.162 245 107 A 3 ARG HD3 A 4 ASP HB3 1.0 1.566 10.162 246 108 A 8 CYS HB2 A 15 CYS HB3 1.0 0.000 6.000 247 108 A 8 CYS HB3 A 15 CYS HB3 1.0 0.000 6.000 248 109 A 21 CYS HB2 A 25 PHE HB2 1.0 1.766 3.494 249 109 A 21 CYS HB3 A 25 PHE HB2 1.0 1.766 3.494 250 110 A 8 CYS HB2 A 38 CYS HB2 1.0 1.984 5.294 251 110 A 8 CYS HB3 A 38 CYS HB2 1.0 1.984 5.294 252 111 A 34 ARG HD2 A 34 ARG HB3 1.0 1.896 4.284 253 111 A 34 ARG HD3 A 34 ARG HB3 1.0 1.896 4.284 254 112 A 7 ARG HB2 A 7 ARG HA 1.0 1.740 3.380 255 112 A 7 ARG HB3 A 7 ARG HA 1.0 1.740 3.380 256 113 A 7 ARG HB2 A 4 ASP HA 1.0 1.640 2.964 257 113 A 7 ARG HB3 A 4 ASP HA 1.0 1.640 2.964 258 114 A 19 LYS HD2 A 19 LYS HA 1.0 1.913 4.421 259 114 A 19 LYS HD3 A 19 LYS HA 1.0 1.913 4.421 260 115 A 3 ARG HD3 A 3 ARG HG3 1.0 1.885 4.197 261 115 A 3 ARG HD3 A 3 ARG HG2 1.0 1.885 4.197 262 116 A 18 SER HA A 16 ILE HD1% 1.0 1.985 5.323 263 116 A 17 ARG HA A 16 ILE HD1% 1.0 1.985 5.323 264 117 A 1 LEU HD1% A 5 THR HB 1.0 1.970 5.050 265 117 A 1 LEU HD2% A 5 THR HB 1.0 1.970 5.050 266 118 A 6 SER HB3 A 1 LEU HG 1.0 2.000 5.994 267 118 A 6 SER HB2 A 1 LEU HG 1.0 2.000 5.994 268 119 A 6 SER HB3 A 1 LEU HB2 1.0 1.997 6.319 269 119 A 6 SER HB2 A 1 LEU HB2 1.0 1.997 6.319 270 120 A 36 LYS HG3 A 32 SER HB3 1.0 1.964 4.964 271 120 A 36 LYS HG2 A 32 SER HB3 1.0 1.964 4.964 272 121 A 36 LYS HG2 A 32 SER HB2 1.0 1.937 4.641 273 121 A 36 LYS HG3 A 32 SER HB2 1.0 1.937 4.641 274 122 A 1 LEU HD2% A 6 SER HA 1.0 1.955 4.839 275 122 A 1 LEU HD1% A 6 SER HA 1.0 1.955 4.839 276 123 A 6 SER HB3 A 1 LEU HD2% 1.0 1.926 4.542 277 123 A 6 SER HB2 A 1 LEU HD1% 1.0 1.926 4.542 278 123 A 6 SER HB2 A 1 LEU HD2% 1.0 1.926 4.542 279 123 A 6 SER HB3 A 1 LEU HD1% 1.0 1.926 4.542 280 124 A 34 ARG HD3 A 34 ARG HB2 1.0 1.814 3.748 281 124 A 34 ARG HD2 A 34 ARG HB2 1.0 1.814 3.748 282 125 A 8 CYS HB3 A 9 VAL HB 1.0 1.981 6.801 283 125 A 8 CYS HB2 A 9 VAL HB 1.0 1.981 6.801 284 126 A 17 ARG HD2 A 17 ARG HB3 1.0 1.899 4.305 285 126 A 17 ARG HD3 A 17 ARG HB3 1.0 1.899 4.305 286 127 A 7 ARG HD3 A 7 ARG HB3 1.0 1.852 3.972 287 127 A 7 ARG HD2 A 7 ARG HB3 1.0 1.852 3.972 288 127 A 7 ARG HD3 A 7 ARG HB2 1.0 1.852 3.972 289 127 A 7 ARG HD2 A 7 ARG HB2 1.0 1.852 3.972 290 128 A 23 LYS HB2 A 24 PRO HD3 1.0 0.000 6.000 291 128 A 23 LYS HB3 A 24 PRO HD3 1.0 0.000 6.000 292 129 A 17 ARG HD3 A 17 ARG HB2 1.0 1.718 3.280 293 129 A 17 ARG HD2 A 17 ARG HB2 1.0 1.718 3.280 294 130 A 34 ARG HD2 A 34 ARG HG2 1.0 1.718 3.278 295 130 A 34 ARG HD3 A 34 ARG HG2 1.0 1.718 3.278 296 131 A 23 LYS HB3 A 24 PRO HD2 1.0 0.000 6.000 297 131 A 23 LYS HB2 A 24 PRO HD2 1.0 0.000 6.000 298 132 A 23 LYS HB2 A 23 LYS HE3 1.0 1.937 4.639 299 132 A 23 LYS HB2 A 23 LYS HE2 1.0 1.937 4.639 300 132 A 23 LYS HB3 A 23 LYS HE3 1.0 1.937 4.639 301 132 A 23 LYS HB3 A 23 LYS HE2 1.0 1.937 4.639 302 133 A 34 ARG HD3 A 34 ARG HG3 1.0 1.741 3.381 303 133 A 34 ARG HD2 A 34 ARG HG3 1.0 1.741 3.381 304 134 A 19 LYS HE3 A 19 LYS HG2 1.0 1.971 5.071 305 134 A 19 LYS HE2 A 19 LYS HG2 1.0 1.971 5.071 306 135 A 23 LYS HG2 A 23 LYS HE2 1.0 1.934 4.616 307 135 A 23 LYS HG2 A 23 LYS HE3 1.0 1.934 4.616 308 135 A 23 LYS HG3 A 23 LYS HE2 1.0 1.934 4.616 309 135 A 23 LYS HG3 A 23 LYS HE3 1.0 1.934 4.616 310 136 A 19 LYS HE3 A 19 LYS HG3 1.0 1.975 5.137 311 136 A 19 LYS HE2 A 19 LYS HG3 1.0 1.975 5.137 312 137 A 27 ALA HB% A 28 PHE HB3 1.0 1.991 5.467 313 137 A 26 ALA HB% A 28 PHE HB3 1.0 1.991 5.467 314 138 A 36 LYS HD3 A 36 LYS HE3 1.0 1.839 3.893 315 138 A 36 LYS HD2 A 36 LYS HE3 1.0 1.839 3.893 316 139 A 23 LYS HG3 A 24 PRO HD2 1.0 0.000 6.000 317 139 A 23 LYS HG2 A 24 PRO HD2 1.0 0.000 6.000 318 140 A 36 LYS HG3 A 36 LYS HE3 1.0 1.801 3.675 319 140 A 36 LYS HG2 A 36 LYS HE3 1.0 1.801 3.675 320 141 A 36 LYS HG3 A 36 LYS HE2 1.0 1.828 3.822 321 141 A 36 LYS HG2 A 36 LYS HE2 1.0 1.828 3.822 322 142 A 31 CYS HB3 A 36 LYS HG3 1.0 1.940 4.678 323 142 A 31 CYS HB3 A 36 LYS HG2 1.0 1.940 4.678 324 143 A 36 LYS HG3 A 31 CYS HB2 1.0 1.915 4.443 325 143 A 36 LYS HG2 A 31 CYS HB2 1.0 1.915 4.443 326 144 A 34 ARG HD3 A 30 THR HG2% 1.0 0.000 6.000 327 144 A 34 ARG HD2 A 30 THR HG2% 1.0 0.000 6.000 328 145 A 24 PRO HD3 A 24 PRO HG3 1.0 1.884 4.184 329 145 A 24 PRO HD3 A 24 PRO HG2 1.0 1.884 4.184 330 146 A 1 LEU HD2% A 2 PRO HD2 1.0 1.970 5.044 331 146 A 1 LEU HD1% A 2 PRO HD2 1.0 1.970 5.044 332 147 A 8 CYS HB3 A 9 VAL HG1% 1.0 1.870 4.088 333 147 A 8 CYS HB2 A 9 VAL HG1% 1.0 1.870 4.088 334 148 A 8 CYS HB3 A 9 VAL HG2% 1.0 1.979 5.201 335 148 A 8 CYS HB2 A 9 VAL HG2% 1.0 1.979 5.201 336 149 A 24 PRO HG2 A 24 PRO HD2 1.0 1.815 3.751 337 149 A 24 PRO HG3 A 24 PRO HD2 1.0 1.815 3.751 338 150 A 23 LYS HB2 A 24 PRO HB3 1.0 1.671 3.087 339 150 A 23 LYS HB3 A 24 PRO HB3 1.0 1.671 3.087 340 151 A 36 LYS HD2 A 15 CYS HB2 1.0 1.950 4.778 341 151 A 36 LYS HD3 A 15 CYS HB2 1.0 1.950 4.778 342 152 A 21 CYS HB3 A 27 ALA HB% 1.0 1.906 4.360 343 152 A 21 CYS HB2 A 27 ALA HB% 1.0 1.906 4.360 344 153 A 36 LYS HG2 A 15 CYS HB2 1.0 1.887 4.217 345 153 A 36 LYS HG2 A 35 GLN HG2 1.0 1.887 4.217 346 153 A 36 LYS HG3 A 15 CYS HB2 1.0 1.887 4.217 347 153 A 36 LYS HG3 A 35 GLN HG2 1.0 1.887 4.217 348 154 A 21 CYS HB2 A 37 THR HG2% 1.0 1.986 5.350 349 154 A 21 CYS HB3 A 37 THR HG2% 1.0 1.986 5.350 350 155 A 36 LYS HG2 A 35 GLN HB2 1.0 1.975 5.125 351 155 A 36 LYS HG3 A 35 GLN HB2 1.0 1.975 5.125 352 156 A 24 PRO HG2 A 24 PRO HB3 1.0 1.844 3.926 353 156 A 24 PRO HG3 A 24 PRO HB3 1.0 1.844 3.926 354 157 A 21 CYS HB3 A 20 VAL HG1% 1.0 1.990 5.448 355 157 A 21 CYS HB2 A 20 VAL HG1% 1.0 1.990 5.448 356 158 A 21 CYS HB3 A 40 VAL HG2% 1.0 1.998 5.738 357 158 A 21 CYS HB3 A 20 VAL HG2% 1.0 1.998 5.738 358 158 A 21 CYS HB2 A 40 VAL HG2% 1.0 1.998 5.738 359 158 A 21 CYS HB2 A 20 VAL HG2% 1.0 1.998 5.738 360 159 A 21 CYS HB2 A 16 ILE HD1% 1.0 1.961 4.917 361 159 A 21 CYS HB3 A 16 ILE HD1% 1.0 1.961 4.917 362 160 A 17 ARG HG2 A 17 ARG HB3 1.0 1.733 3.345 363 160 A 17 ARG HG3 A 17 ARG HB3 1.0 1.733 3.345 364 161 A 3 ARG HG3 A 3 ARG HB3 1.0 1.685 3.137 365 161 A 3 ARG HG2 A 3 ARG HB3 1.0 1.685 3.137 366 162 A 3 ARG HG2 A 3 ARG HB2 1.0 1.580 2.756 367 162 A 3 ARG HG3 A 3 ARG HB2 1.0 1.580 2.756 368 163 A 17 ARG HG2 A 17 ARG HB2 1.0 0.000 6.000 369 163 A 17 ARG HG3 A 17 ARG HB2 1.0 0.000 6.000 370 164 A 7 ARG HB3 A 7 ARG HG3 1.0 1.749 3.415 371 164 A 7 ARG HB2 A 7 ARG HG3 1.0 1.749 3.415 372 164 A 16 ILE HB A 16 ILE HG12 1.0 1.749 3.415 373 165 A 36 LYS HG2 A 35 GLN HB3 1.0 1.973 5.093 374 165 A 36 LYS HG3 A 35 GLN HB3 1.0 1.973 5.093 375 166 A 36 LYS HG2 A 36 LYS HB2 1.0 1.696 3.184 376 166 A 36 LYS HG3 A 36 LYS HB2 1.0 1.696 3.184 377 167 A 2 PRO HG3 A 36 LYS HG3 1.0 0.000 6.000 378 167 A 2 PRO HG3 A 36 LYS HG2 1.0 0.000 6.000 379 168 A 23 LYS HB2 A 23 LYS HG2 1.0 1.643 2.979 380 168 A 23 LYS HB3 A 23 LYS HG2 1.0 1.643 2.979 381 168 A 23 LYS HB3 A 23 LYS HG3 1.0 1.643 2.979 382 168 A 23 LYS HB2 A 23 LYS HG3 1.0 1.643 2.979 383 169 A 36 LYS HG3 A 36 LYS HD3 1.0 1.534 2.606 384 169 A 36 LYS HG2 A 36 LYS HD2 1.0 1.534 2.606 385 169 A 36 LYS HG3 A 36 LYS HD2 1.0 1.534 2.606 386 169 A 36 LYS HG2 A 36 LYS HD3 1.0 1.534 2.606 387 170 A 36 LYS HD3 A 36 LYS HB3 1.0 1.755 3.447 388 170 A 36 LYS HD2 A 36 LYS HB3 1.0 1.755 3.447 389 171 A 23 LYS HB3 A 24 PRO HG3 1.0 0.000 6.000 390 171 A 23 LYS HB2 A 24 PRO HG3 1.0 0.000 6.000 391 171 A 23 LYS HB3 A 24 PRO HG2 1.0 0.000 6.000 392 171 A 23 LYS HB2 A 24 PRO HG2 1.0 0.000 6.000 393 172 A 1 LEU HD1% A 1 LEU HB2 1.0 1.824 3.806 394 172 A 1 LEU HD2% A 1 LEU HB2 1.0 1.824 3.806 395 173 A 36 LYS HG2 A 2 PRO HB2 1.0 0.000 6.000 396 173 A 36 LYS HG3 A 2 PRO HB2 1.0 0.000 6.000 397 174 A 5 THR HG2% A 1 LEU HD2% 1.0 1.832 3.850 398 174 A 5 THR HG2% A 1 LEU HD1% 1.0 1.832 3.850 399 175 A 36 LYS HG3 A 36 LYS HB3 1.0 1.532 2.600 400 175 A 36 LYS HG2 A 36 LYS HB3 1.0 1.532 2.600 401 176 A 7 ARG HD2 A 4 ASP H 1.0 1.996 6.392 402 176 A 7 ARG HD3 A 4 ASP H 1.0 1.996 6.392 403 177 A 19 LYS HE3 A 30 THR H 1.0 1.895 7.935 404 177 A 19 LYS HE2 A 30 THR H 1.0 1.895 7.935 405 178 A 10 GLY HA2 A 12 HIS HE1 1.0 1.932 7.548 406 178 A 10 GLY HA3 A 12 HIS HE1 1.0 1.932 7.548 407 179 A 8 CYS HB2 A 11 TYR H 1.0 1.963 7.121 408 179 A 8 CYS HB3 A 11 TYR H 1.0 1.963 7.121 409 180 A 16 ILE H A 15 CYS HA 1.0 1.517 2.551 410 181 A 15 CYS HA A 15 CYS H 1.0 1.844 3.922 411 182 A 40 VAL H A 39 CYS HA 1.0 1.556 2.676 412 183 A 31 CYS H A 30 THR HA 1.0 1.565 2.703 413 184 A 39 CYS H A 38 CYS HA 1.0 1.655 3.023 414 185 A 17 ARG H A 16 ILE HA 1.0 1.699 3.199 415 186 A 28 PHE H A 27 ALA HA 1.0 1.819 3.775 416 187 A 14 TYR H A 13 GLY HA3 1.0 1.766 3.496 417 188 A 13 GLY H A 13 GLY HA3 1.0 1.835 3.869 418 189 A 27 ALA H A 26 ALA HA 1.0 1.498 2.494 419 190 A 28 PHE H A 28 PHE HA 1.0 1.812 3.738 420 191 A 25 PHE H A 25 PHE HA 1.0 1.813 3.741 421 192 A 26 ALA H A 25 PHE HA 1.0 1.568 2.716 422 193 A 28 PHE HA A 29 GLY H 1.0 1.652 3.010 423 194 A 28 PHE HD1 A 28 PHE HA 1.0 1.774 3.540 424 194 A 28 PHE HD2 A 28 PHE HA 1.0 1.774 3.540 425 195 A 11 TYR H A 11 TYR HA 1.0 1.766 3.496 426 196 A 11 TYR HD2 A 11 TYR HA 1.0 1.663 3.055 427 196 A 11 TYR HD1 A 11 TYR HA 1.0 1.663 3.055 428 197 A 40 VAL H A 40 VAL HA 1.0 1.827 3.819 429 198 A 25 PHE HE1 A 40 VAL HA 1.0 1.688 3.150 430 198 A 25 PHE HE2 A 40 VAL HA 1.0 1.688 3.150 431 199 A 25 PHE H A 24 PRO HA 1.0 1.732 3.338 432 200 A 23 LYS H A 22 PRO HA 1.0 1.429 2.297 433 201 A 31 CYS H A 30 THR HB 1.0 1.643 2.975 434 202 A 17 ARG HA A 17 ARG H 1.0 1.749 3.417 435 203 A 18 SER HA A 19 LYS H 1.0 1.543 2.631 436 204 A 25 PHE H A 23 LYS HA 1.0 1.535 2.607 437 205 A 23 LYS H A 23 LYS HA 1.0 1.675 3.101 438 206 A 13 GLY H A 12 HIS HA 1.0 1.745 3.395 439 207 A 12 HIS HA A 12 HIS H 1.0 0.000 6.000 440 208 A 32 SER H A 31 CYS HA 1.0 1.604 2.834 441 209 A 35 GLN H A 35 GLN HA 1.0 1.716 3.270 442 210 A 21 CYS H A 20 VAL HA 1.0 1.431 2.301 443 211 A 4 ASP H A 4 ASP HA 1.0 1.726 3.314 444 212 A 7 ARG H A 4 ASP HA 1.0 1.831 3.845 445 213 A 20 VAL H A 20 VAL HA 1.0 1.748 3.410 446 214 A 19 LYS H A 19 LYS HA 1.0 1.716 3.270 447 215 A 37 THR H A 37 THR HA 1.0 1.837 3.881 448 216 A 38 CYS H A 37 THR HA 1.0 1.571 2.725 449 217 A 34 ARG H A 33 TRP HA 1.0 1.729 3.327 450 218 A 33 TRP HE3 A 33 TRP HA 1.0 1.674 3.098 451 219 A 33 TRP HD1 A 33 TRP HA 1.0 0.000 6.000 452 220 A 6 SER H A 5 THR HB 1.0 1.563 2.699 453 221 A 5 THR H A 5 THR HB 1.0 1.729 3.327 454 222 A 2 PRO HA A 3 ARG H 1.0 0.000 6.000 455 223 A 7 ARG H A 7 ARG HA 1.0 1.751 3.429 456 224 A 37 THR HB A 37 THR H 1.0 1.680 3.122 457 225 A 5 THR HA A 5 THR H 1.0 1.774 3.538 458 226 A 9 VAL H A 9 VAL HA 1.0 1.806 3.706 459 227 A 13 GLY H A 9 VAL HA 1.0 1.841 3.903 460 228 A 34 ARG HA A 35 GLN H 1.0 1.822 3.792 461 229 A 33 TRP HB2 A 33 TRP HD1 1.0 1.753 3.437 462 230 A 33 TRP HB2 A 33 TRP HE3 1.0 0.000 6.000 463 231 A 14 TYR H A 13 GLY HA2 1.0 1.737 3.359 464 232 A 13 GLY H A 13 GLY HA2 1.0 1.712 3.250 465 233 A 32 SER H A 32 SER HB3 1.0 0.000 6.000 466 234 A 11 TYR H A 11 TYR HB3 1.0 0.000 6.000 467 235 A 11 TYR HD2 A 11 TYR HB3 1.0 1.755 3.447 468 235 A 11 TYR HD1 A 11 TYR HB3 1.0 1.755 3.447 469 236 A 3 ARG HD2 A 3 ARG HE 1.0 1.795 3.641 470 237 A 33 TRP HE3 A 33 TRP HB3 1.0 1.775 3.543 471 238 A 33 TRP HD1 A 33 TRP HB3 1.0 0.000 6.000 472 239 A 25 PHE H A 25 PHE HB3 1.0 1.637 2.957 473 240 A 25 PHE HB3 A 26 ALA H 1.0 1.824 3.802 474 241 A 32 SER H A 31 CYS HB3 1.0 1.671 3.081 475 242 A 31 CYS H A 31 CYS HB2 1.0 1.918 4.456 476 243 A 25 PHE H A 25 PHE HB2 1.0 0.000 6.000 477 244 A 25 PHE HD1 A 25 PHE HB2 1.0 1.742 3.384 478 244 A 25 PHE HD2 A 25 PHE HB2 1.0 1.742 3.384 479 245 A 26 ALA H A 25 PHE HB2 1.0 1.672 3.088 480 246 A 28 PHE H A 28 PHE HB3 1.0 1.766 3.498 481 247 A 28 PHE HD1 A 28 PHE HB3 1.0 1.662 3.048 482 247 A 28 PHE HD2 A 28 PHE HB3 1.0 1.662 3.048 483 248 A 15 CYS HB3 A 15 CYS H 1.0 1.696 3.186 484 249 A 11 TYR H A 11 TYR HB2 1.0 1.629 2.923 485 250 A 11 TYR HD2 A 11 TYR HB2 1.0 1.749 3.417 486 250 A 11 TYR HD1 A 11 TYR HB2 1.0 1.749 3.417 487 251 A 14 TYR HB3 A 14 TYR HD1 1.0 1.629 2.925 488 251 A 14 TYR HD2 A 14 TYR HB3 1.0 1.629 2.925 489 252 A 25 PHE HE1 A 24 PRO HD2 1.0 1.832 3.850 490 252 A 25 PHE HE2 A 24 PRO HD2 1.0 1.832 3.850 491 253 A 14 TYR H A 14 TYR HB2 1.0 1.827 3.821 492 254 A 15 CYS H A 14 TYR HB2 1.0 1.767 3.501 493 255 A 14 TYR HD1 A 14 TYR HB2 1.0 1.629 2.925 494 255 A 14 TYR HD2 A 14 TYR HB2 1.0 1.629 2.925 495 256 A 35 GLN H A 35 GLN HG3 1.0 1.717 3.273 496 257 A 28 PHE H A 28 PHE HB2 1.0 1.786 3.596 497 258 A 28 PHE HD1 A 28 PHE HB2 1.0 1.700 3.204 498 258 A 28 PHE HD2 A 28 PHE HB2 1.0 1.700 3.204 499 259 A 4 ASP H A 4 ASP HB3 1.0 1.764 3.486 500 260 A 16 ILE H A 15 CYS HB2 1.0 1.827 3.819 501 261 A 15 CYS HB2 A 15 CYS H 1.0 1.811 3.729 502 262 A 35 GLN H A 35 GLN HG2 1.0 1.772 3.526 503 263 A 38 CYS H A 38 CYS HB2 1.0 1.779 3.563 504 264 A 35 GLN H A 35 GLN HB2 1.0 0.000 6.000 505 265 A 23 LYS H A 22 PRO HB2 1.0 1.825 3.811 506 266 A 25 PHE HD1 A 22 PRO HG2 1.0 1.798 3.660 507 266 A 25 PHE HD2 A 22 PRO HG2 1.0 1.798 3.660 508 267 A 35 GLN H A 35 GLN HB3 1.0 1.650 3.004 509 268 A 9 VAL H A 9 VAL HB 1.0 1.579 2.749 510 269 A 10 GLY H A 9 VAL HB 1.0 0.000 6.000 511 270 A 23 LYS H A 22 PRO HB3 1.0 1.785 3.593 512 271 A 17 ARG H A 17 ARG HB3 1.0 1.780 3.570 513 272 A 3 ARG H A 3 ARG HB3 1.0 1.847 3.937 514 273 A 40 VAL H A 40 VAL HB 1.0 0.000 6.000 515 274 A 16 ILE H A 16 ILE HB 1.0 1.825 3.807 516 275 A 17 ARG H A 16 ILE HB 1.0 1.688 3.150 517 276 A 21 CYS H A 20 VAL HB 1.0 0.000 6.000 518 277 A 19 LYS H A 19 LYS HB2 1.0 0.000 6.000 519 278 A 20 VAL H A 20 VAL HB 1.0 1.639 2.961 520 279 A 18 SER H A 16 ILE HB 1.0 0.000 6.000 521 280 A 4 ASP H A 3 ARG HB3 1.0 1.833 3.853 522 281 A 39 CYS H A 39 CYS HB2 1.0 1.742 3.384 523 282 A 37 THR H A 36 LYS HB2 1.0 1.689 3.155 524 283 A 4 ASP H A 3 ARG HB2 1.0 0.000 6.000 525 284 A 3 ARG H A 3 ARG HB2 1.0 0.000 6.000 526 285 A 3 ARG HE A 3 ARG HB2 1.0 1.835 3.867 527 286 A 19 LYS H A 19 LYS HB3 1.0 1.636 2.950 528 287 A 17 ARG H A 17 ARG HB2 1.0 0.000 6.000 529 288 A 18 SER H A 17 ARG HB2 1.0 0.000 6.000 530 289 A 6 SER H A 1 LEU HB3 1.0 1.832 3.846 531 290 A 16 ILE H A 16 ILE HG12 1.0 1.784 3.590 532 291 A 18 SER H A 16 ILE HG12 1.0 1.786 3.598 533 292 A 32 SER H A 2 PRO HG2 1.0 1.828 3.822 534 293 A 5 THR H A 2 PRO HG2 1.0 0.000 6.000 535 294 A 19 LYS H A 19 LYS HG2 1.0 1.822 3.786 536 295 A 19 LYS H A 19 LYS HG3 1.0 1.820 3.776 537 296 A 21 CYS H A 27 ALA HB% 1.0 1.833 3.851 538 297 A 27 ALA HB% A 27 ALA H 1.0 1.427 2.291 539 298 A 26 ALA HB% A 26 ALA H 1.0 1.611 2.863 540 299 A 37 THR H A 36 LYS HB3 1.0 1.823 3.799 541 300 A 36 LYS H A 36 LYS HB3 1.0 1.770 3.518 542 301 A 28 PHE H A 37 THR HG2% 1.0 1.842 3.908 543 302 A 38 CYS H A 37 THR HG2% 1.0 1.652 3.012 544 303 A 16 ILE H A 16 ILE HG13 1.0 1.702 3.208 545 304 A 9 VAL H A 9 VAL HG1% 1.0 1.530 2.594 546 305 A 10 GLY H A 9 VAL HG1% 1.0 1.794 3.638 547 306 A 9 VAL H A 9 VAL HG2% 1.0 0.000 6.000 548 307 A 21 CYS H A 20 VAL HG1% 1.0 1.704 3.218 549 308 A 25 PHE HE2 A 40 VAL HG1% 1.0 1.803 3.685 550 308 A 25 PHE HE1 A 40 VAL HG1% 1.0 1.803 3.685 551 309 A 40 VAL HG1% A 28 PHE HD1 1.0 0.000 6.000 552 309 A 40 VAL HG1% A 28 PHE HD2 1.0 0.000 6.000 553 310 A 16 ILE H A 16 ILE HG2% 1.0 1.725 3.307 554 311 A 17 ARG H A 16 ILE HG2% 1.0 0.000 6.000 555 312 A 18 SER H A 16 ILE HG2% 1.0 0.000 6.000 556 313 A 14 TYR HD2 A 16 ILE HG2% 1.0 1.684 3.136 557 313 A 14 TYR HD1 A 16 ILE HG2% 1.0 1.684 3.136 558 314 A 14 TYR HE2 A 16 ILE HG2% 1.0 1.651 3.005 559 314 A 14 TYR HE1 A 16 ILE HG2% 1.0 1.651 3.005 560 315 A 40 VAL H A 40 VAL HG2% 1.0 1.679 3.115 561 316 A 20 VAL H A 20 VAL HG2% 1.0 1.683 3.131 562 317 A 28 PHE HD2 A 40 VAL HG2% 1.0 1.798 3.662 563 317 A 28 PHE HD1 A 40 VAL HG2% 1.0 1.798 3.662 564 318 A 18 SER H A 16 ILE HD1% 1.0 1.812 3.738 565 319 A 15 CYS HA A 39 CYS H 1.0 1.958 4.880 566 320 A 39 CYS HA A 39 CYS H 1.0 1.872 4.100 567 321 A 26 ALA H A 39 CYS HA 1.0 1.927 4.547 568 322 A 38 CYS H A 38 CYS HA 1.0 1.920 4.482 569 323 A 16 ILE H A 16 ILE HA 1.0 1.899 4.301 570 324 A 15 CYS H A 14 TYR HA 1.0 1.847 3.941 571 325 A 21 CYS H A 21 CYS HA 1.0 1.863 4.043 572 326 A 25 PHE HE1 A 25 PHE HA 1.0 1.979 5.197 573 326 A 25 PHE HE2 A 25 PHE HA 1.0 1.979 5.197 574 327 A 11 TYR HA A 12 HIS H 1.0 1.857 4.005 575 328 A 11 TYR HA A 12 HIS HD2 1.0 1.886 4.200 576 329 A 14 TYR H A 40 VAL HA 1.0 1.941 4.679 577 330 A 34 ARG H A 30 THR HB 1.0 0.000 6.000 578 331 A 36 LYS H A 30 THR HB 1.0 1.939 4.671 579 332 A 17 ARG HA A 37 THR H 1.0 1.924 4.520 580 333 A 18 SER HA A 20 VAL H 1.0 1.899 4.307 581 334 A 12 HIS HA A 12 HIS HD2 1.0 0.000 6.000 582 335 A 9 VAL H A 8 CYS HA 1.0 1.864 4.048 583 336 A 11 TYR H A 8 CYS HA 1.0 1.906 4.358 584 337 A 11 TYR HD2 A 8 CYS HA 1.0 1.871 4.093 585 337 A 11 TYR HD1 A 8 CYS HA 1.0 1.871 4.093 586 338 A 31 CYS H A 31 CYS HA 1.0 1.911 4.395 587 339 A 5 THR H A 31 CYS HA 1.0 1.884 4.188 588 340 A 33 TRP HA A 33 TRP H 1.0 1.885 4.201 589 341 A 35 GLN H A 32 SER HA 1.0 0.000 6.000 590 342 A 18 SER HB3 A 19 LYS H 1.0 1.887 4.209 591 343 A 18 SER HB3 A 20 VAL H 1.0 1.950 4.782 592 344 A 2 PRO HA A 33 TRP HE1 1.0 1.882 4.178 593 345 A 10 GLY H A 7 ARG HA 1.0 1.870 4.088 594 346 A 4 ASP H A 3 ARG HA 1.0 1.845 3.927 595 347 A 9 VAL H A 6 SER HA 1.0 1.860 4.024 596 348 A 12 HIS H A 9 VAL HA 1.0 1.922 4.498 597 349 A 34 ARG HA A 36 LYS H 1.0 1.904 4.338 598 350 A 12 HIS H A 12 HIS HB3 1.0 1.957 4.865 599 351 A 34 ARG HA A 31 CYS H 1.0 0.000 6.000 600 352 A 12 HIS H A 12 HIS HB2 1.0 1.901 4.313 601 353 A 31 CYS HB3 A 31 CYS H 1.0 1.943 4.707 602 354 A 28 PHE H A 38 CYS HB3 1.0 1.930 4.572 603 355 A 40 VAL H A 25 PHE HB2 1.0 1.880 4.164 604 356 A 25 PHE HE1 A 25 PHE HB2 1.0 1.948 4.764 605 356 A 25 PHE HE2 A 25 PHE HB2 1.0 1.948 4.764 606 357 A 16 ILE H A 15 CYS HB3 1.0 1.918 4.456 607 358 A 13 GLY H A 11 TYR HB2 1.0 0.000 6.000 608 359 A 12 HIS H A 11 TYR HB2 1.0 1.930 4.574 609 360 A 14 TYR H A 14 TYR HB3 1.0 1.852 3.968 610 361 A 15 CYS H A 14 TYR HB3 1.0 1.886 4.204 611 362 A 25 PHE H A 24 PRO HD2 1.0 0.000 6.000 612 363 A 36 LYS HE2 A 17 ARG HE 1.0 1.946 4.738 613 364 A 4 ASP H A 4 ASP HB2 1.0 1.860 4.026 614 365 A 35 GLN HG3 A 35 GLN HE22 1.0 1.882 4.176 615 366 A 35 GLN HG3 A 35 GLN HE21 1.0 1.931 4.585 616 367 A 29 GLY H A 28 PHE HB2 1.0 1.957 4.869 617 368 A 35 GLN HG2 A 35 GLN HE22 1.0 1.910 4.388 618 369 A 35 GLN HG2 A 35 GLN HE21 1.0 1.949 4.775 619 370 A 39 CYS H A 39 CYS HB3 1.0 1.877 4.137 620 371 A 40 VAL H A 39 CYS HB3 1.0 1.880 4.164 621 372 A 26 ALA H A 39 CYS HB3 1.0 1.943 4.711 622 373 A 25 PHE HD1 A 39 CYS HB3 1.0 1.904 4.340 623 373 A 25 PHE HD2 A 39 CYS HB3 1.0 1.904 4.340 624 374 A 14 TYR HE1 A 39 CYS HB3 1.0 1.924 4.514 625 374 A 14 TYR HE2 A 39 CYS HB3 1.0 1.924 4.514 626 375 A 8 CYS H A 38 CYS HB2 1.0 1.957 4.859 627 376 A 34 ARG H A 34 ARG HB3 1.0 1.956 4.856 628 377 A 34 ARG HE A 34 ARG HB3 1.0 1.955 4.849 629 378 A 36 LYS H A 35 GLN HB2 1.0 1.929 4.565 630 379 A 25 PHE HD1 A 22 PRO HG3 1.0 0.000 6.000 631 379 A 25 PHE HD2 A 22 PRO HG3 1.0 0.000 6.000 632 380 A 36 LYS H A 35 GLN HB3 1.0 1.867 4.073 633 381 A 34 ARG H A 34 ARG HB2 1.0 1.937 4.639 634 382 A 34 ARG HE A 34 ARG HB2 1.0 1.957 4.865 635 383 A 25 PHE HD1 A 22 PRO HB3 1.0 1.896 4.280 636 383 A 25 PHE HD2 A 22 PRO HB3 1.0 1.896 4.280 637 384 A 18 SER H A 17 ARG HB3 1.0 0.000 6.000 638 385 A 28 PHE HD1 A 40 VAL HB 1.0 1.942 4.696 639 385 A 28 PHE HD2 A 40 VAL HB 1.0 1.942 4.696 640 386 A 14 TYR HE1 A 16 ILE HB 1.0 1.930 4.576 641 386 A 14 TYR HE2 A 16 ILE HB 1.0 1.930 4.576 642 387 A 3 ARG HE A 3 ARG HB3 1.0 1.879 4.153 643 388 A 33 TRP HZ3 A 3 ARG HB3 1.0 1.924 4.520 644 389 A 14 TYR H A 39 CYS HB2 1.0 1.905 4.355 645 390 A 25 PHE HD1 A 39 CYS HB2 1.0 1.954 4.836 646 390 A 25 PHE HD2 A 39 CYS HB2 1.0 1.954 4.836 647 391 A 14 TYR HD1 A 39 CYS HB2 1.0 1.931 4.583 648 391 A 14 TYR HD2 A 39 CYS HB2 1.0 1.931 4.583 649 392 A 14 TYR HE1 A 39 CYS HB2 1.0 1.923 4.511 650 392 A 14 TYR HE2 A 39 CYS HB2 1.0 1.923 4.511 651 393 A 16 ILE H A 36 LYS HB2 1.0 1.852 3.970 652 394 A 36 LYS H A 36 LYS HB2 1.0 1.897 4.287 653 395 A 33 TRP HZ3 A 3 ARG HB2 1.0 1.875 4.127 654 396 A 20 VAL H A 19 LYS HB3 1.0 1.864 4.046 655 397 A 7 ARG H A 7 ARG HG2 1.0 1.912 4.406 656 398 A 17 ARG HB2 A 17 ARG HE 1.0 1.954 4.834 657 399 A 7 ARG HE A 7 ARG HG2 1.0 1.937 4.643 658 400 A 11 TYR HE1 A 7 ARG HG2 1.0 1.907 4.371 659 400 A 11 TYR HE2 A 7 ARG HG2 1.0 1.907 4.371 660 401 A 2 PRO HG3 A 33 TRP HE1 1.0 1.959 4.897 661 402 A 2 PRO HG3 A 33 TRP HD1 1.0 1.949 4.775 662 403 A 11 TYR HD2 A 7 ARG HG3 1.0 1.921 4.489 663 403 A 11 TYR HD1 A 7 ARG HG3 1.0 1.921 4.489 664 404 A 7 ARG H A 7 ARG HG3 1.0 1.959 4.889 665 405 A 11 TYR HE1 A 7 ARG HG3 1.0 1.928 4.554 666 405 A 11 TYR HE2 A 7 ARG HG3 1.0 1.928 4.554 667 406 A 37 THR H A 16 ILE HG12 1.0 1.934 4.616 668 407 A 17 ARG H A 16 ILE HG12 1.0 1.910 4.394 669 408 A 4 ASP H A 2 PRO HB3 1.0 1.859 4.017 670 409 A 34 ARG H A 34 ARG HG3 1.0 1.879 4.157 671 410 A 6 SER H A 1 LEU HB2 1.0 1.924 4.518 672 411 A 27 ALA HB% A 29 GLY H 1.0 1.920 4.482 673 412 A 26 ALA HB% A 28 PHE HD1 1.0 1.933 4.607 674 412 A 26 ALA HB% A 28 PHE HD2 1.0 1.933 4.607 675 413 A 5 THR HG2% A 5 THR H 1.0 1.889 4.227 676 414 A 9 VAL H A 5 THR HG2% 1.0 1.884 4.190 677 415 A 16 ILE H A 36 LYS HB3 1.0 1.955 4.845 678 416 A 31 CYS H A 36 LYS HB3 1.0 1.955 4.847 679 417 A 37 THR H A 37 THR HG2% 1.0 1.902 4.332 680 418 A 21 CYS H A 37 THR HG2% 1.0 1.933 4.607 681 419 A 27 ALA H A 37 THR HG2% 1.0 1.949 4.769 682 420 A 17 ARG H A 16 ILE HG13 1.0 1.936 4.632 683 421 A 18 SER H A 16 ILE HG13 1.0 1.902 4.324 684 422 A 10 GLY H A 9 VAL HG2% 1.0 1.847 3.945 685 423 A 40 VAL HG1% A 13 GLY H 1.0 1.908 4.370 686 424 A 40 VAL HG1% A 14 TYR H 1.0 1.931 4.583 687 425 A 26 ALA H A 40 VAL HG2% 1.0 1.893 4.253 688 426 A 19 LYS H A 20 VAL HG2% 1.0 1.901 4.317 689 427 A 40 VAL HG2% A 13 GLY H 1.0 0.000 6.000 690 428 A 2 PRO HB2 A 33 TRP HE1 1.0 1.943 4.703 691 429 A 4 ASP H A 2 PRO HB2 1.0 1.952 4.810 692 430 A 5 THR H A 2 PRO HB2 1.0 1.936 4.632 693 431 A 33 TRP HD1 A 2 PRO HB2 1.0 1.952 4.818 694 432 A 37 THR H A 15 CYS HA 1.0 1.988 5.386 695 433 A 15 CYS HA A 14 TYR H 1.0 1.990 5.422 696 434 A 38 CYS H A 15 CYS HA 1.0 2.000 5.964 697 435 A 15 CYS HA A 14 TYR HD1 1.0 1.995 5.583 698 435 A 15 CYS HA A 14 TYR HD2 1.0 1.995 5.583 699 436 A 39 CYS HA A 14 TYR H 1.0 1.999 5.775 700 437 A 27 ALA H A 39 CYS HA 1.0 1.994 5.572 701 438 A 25 PHE HD1 A 39 CYS HA 1.0 1.999 5.787 702 438 A 25 PHE HD2 A 39 CYS HA 1.0 1.999 5.787 703 439 A 37 THR H A 30 THR HA 1.0 2.000 6.134 704 440 A 36 LYS H A 30 THR HA 1.0 1.994 5.576 705 441 A 16 ILE H A 38 CYS HA 1.0 1.999 5.941 706 442 A 38 CYS HA A 14 TYR H 1.0 1.978 5.170 707 443 A 18 SER H A 16 ILE HA 1.0 1.994 5.536 708 444 A 14 TYR H A 14 TYR HA 1.0 1.964 4.960 709 445 A 27 ALA H A 27 ALA HA 1.0 2.000 6.084 710 446 A 14 TYR HD1 A 14 TYR HA 1.0 1.962 4.938 711 446 A 14 TYR HD2 A 14 TYR HA 1.0 1.962 4.938 712 447 A 13 GLY HA3 A 14 TYR HD1 1.0 1.978 5.174 713 447 A 13 GLY HA3 A 14 TYR HD2 1.0 1.978 5.174 714 448 A 28 PHE HE1 A 28 PHE HA 1.0 1.999 5.799 715 448 A 28 PHE HE2 A 28 PHE HA 1.0 1.999 5.799 716 449 A 10 GLY H A 11 TYR HA 1.0 1.999 6.179 717 450 A 11 TYR HE1 A 11 TYR HA 1.0 1.964 4.960 718 450 A 11 TYR HE2 A 11 TYR HA 1.0 1.964 4.960 719 451 A 13 GLY H A 40 VAL HA 1.0 1.987 5.379 720 452 A 40 VAL HA A 14 TYR HD1 1.0 1.985 5.327 721 452 A 40 VAL HA A 14 TYR HD2 1.0 1.985 5.327 722 453 A 35 GLN H A 30 THR HB 1.0 1.979 5.201 723 454 A 17 ARG HA A 16 ILE H 1.0 2.000 6.098 724 455 A 25 PHE HD1 A 23 LYS HA 1.0 1.978 5.172 725 455 A 25 PHE HD2 A 23 LYS HA 1.0 1.978 5.172 726 456 A 12 HIS HE1 A 12 HIS HA 1.0 1.999 5.829 727 457 A 11 TYR H A 12 HIS HA 1.0 1.964 4.960 728 458 A 10 GLY H A 8 CYS HA 1.0 1.988 5.382 729 459 A 28 PHE HD1 A 8 CYS HA 1.0 1.993 5.555 730 459 A 28 PHE HD2 A 8 CYS HA 1.0 1.993 5.555 731 460 A 28 PHE HZ A 8 CYS HA 1.0 1.989 5.431 732 461 A 28 PHE HE1 A 8 CYS HA 1.0 2.000 6.018 733 461 A 28 PHE HE2 A 8 CYS HA 1.0 2.000 6.018 734 462 A 11 TYR HE1 A 8 CYS HA 1.0 1.993 5.527 735 462 A 11 TYR HE2 A 8 CYS HA 1.0 1.993 5.527 736 463 A 35 GLN HA A 35 GLN HE22 1.0 1.995 5.581 737 464 A 7 ARG HE A 4 ASP HA 1.0 1.999 6.151 738 465 A 33 TRP HZ3 A 33 TRP HA 1.0 1.991 5.451 739 466 A 4 ASP H A 5 THR HB 1.0 1.994 5.566 740 467 A 2 PRO HA A 33 TRP HH2 1.0 1.973 5.101 741 468 A 2 PRO HA A 33 TRP HD1 1.0 1.981 5.227 742 469 A 11 TYR HD2 A 7 ARG HA 1.0 1.997 5.707 743 469 A 11 TYR HD1 A 7 ARG HA 1.0 1.997 5.707 744 470 A 7 ARG H A 6 SER HA 1.0 1.964 4.960 745 471 A 10 GLY H A 6 SER HA 1.0 1.998 5.782 746 472 A 25 PHE HD1 A 22 PRO HD2 1.0 1.997 5.697 747 472 A 25 PHE HD2 A 22 PRO HD2 1.0 1.997 5.697 748 473 A 18 SER H A 18 SER HB2 1.0 1.997 5.727 749 474 A 33 TRP HB2 A 35 GLN HE21 1.0 1.999 6.049 750 475 A 13 GLY HA2 A 14 TYR HD1 1.0 1.985 5.325 751 475 A 13 GLY HA2 A 14 TYR HD2 1.0 1.985 5.325 752 476 A 32 SER HB3 A 33 TRP H 1.0 1.994 5.578 753 477 A 5 THR H A 32 SER HB3 1.0 1.993 5.535 754 478 A 33 TRP HD1 A 32 SER HB3 1.0 1.991 5.457 755 479 A 12 HIS H A 11 TYR HB3 1.0 1.971 5.071 756 480 A 13 GLY H A 11 TYR HB3 1.0 0.000 6.000 757 481 A 28 PHE HD1 A 11 TYR HB3 1.0 1.991 5.459 758 481 A 28 PHE HD2 A 11 TYR HB3 1.0 1.991 5.459 759 482 A 11 TYR HE1 A 11 TYR HB3 1.0 1.969 5.039 760 482 A 11 TYR HE2 A 11 TYR HB3 1.0 1.969 5.039 761 483 A 25 PHE H A 24 PRO HD3 1.0 0.000 6.000 762 484 A 3 ARG HD2 A 4 ASP H 1.0 1.997 6.319 763 485 A 25 PHE HB3 A 40 VAL H 1.0 1.972 5.090 764 486 A 21 CYS H A 25 PHE HB3 1.0 0.000 6.000 765 487 A 16 ILE H A 31 CYS HB2 1.0 1.999 5.797 766 488 A 37 THR H A 31 CYS HB2 1.0 1.997 5.727 767 489 A 28 PHE HB3 A 29 GLY H 1.0 1.986 5.358 768 490 A 28 PHE HE1 A 28 PHE HB3 1.0 1.977 5.175 769 490 A 28 PHE HE2 A 28 PHE HB3 1.0 1.977 5.175 770 491 A 10 GLY H A 11 TYR HB2 1.0 1.990 5.448 771 492 A 11 TYR HE1 A 11 TYR HB2 1.0 1.967 5.005 772 492 A 11 TYR HE2 A 11 TYR HB2 1.0 1.967 5.005 773 493 A 17 ARG H A 36 LYS HE3 1.0 1.990 6.566 774 494 A 5 THR H A 4 ASP HB2 1.0 1.981 5.241 775 495 A 27 ALA H A 28 PHE HB2 1.0 1.973 6.967 776 496 A 28 PHE HE1 A 28 PHE HB2 1.0 1.987 5.369 777 496 A 28 PHE HE2 A 28 PHE HB2 1.0 1.987 5.369 778 497 A 5 THR H A 4 ASP HB3 1.0 1.978 5.186 779 498 A 37 THR H A 15 CYS HB2 1.0 1.998 5.786 780 499 A 36 LYS H A 35 GLN HG2 1.0 1.969 5.031 781 500 A 25 PHE H A 39 CYS HB3 1.0 1.995 5.609 782 501 A 14 TYR H A 39 CYS HB3 1.0 1.972 5.088 783 502 A 25 PHE HE1 A 39 CYS HB3 1.0 2.000 6.054 784 502 A 25 PHE HE2 A 39 CYS HB3 1.0 2.000 6.054 785 503 A 14 TYR HD1 A 39 CYS HB3 1.0 1.965 4.977 786 503 A 14 TYR HD2 A 39 CYS HB3 1.0 1.965 4.977 787 504 A 28 PHE H A 38 CYS HB2 1.0 1.981 5.239 788 505 A 25 PHE H A 24 PRO HB3 1.0 1.972 5.074 789 506 A 34 ARG HB3 A 35 GLN HE22 1.0 1.986 5.358 790 507 A 35 GLN HB2 A 35 GLN HE21 1.0 1.999 5.809 791 508 A 25 PHE H A 22 PRO HG2 1.0 2.000 6.042 792 509 A 25 PHE HE1 A 22 PRO HG2 1.0 1.965 4.969 793 509 A 25 PHE HE2 A 22 PRO HG2 1.0 1.965 4.969 794 510 A 23 LYS H A 22 PRO HG3 1.0 1.999 6.137 795 511 A 25 PHE HE1 A 22 PRO HG3 1.0 2.000 6.146 796 511 A 25 PHE HE2 A 22 PRO HG3 1.0 2.000 6.146 797 512 A 35 GLN HB3 A 35 GLN HE22 1.0 1.997 5.663 798 513 A 35 GLN HB3 A 35 GLN HE21 1.0 2.000 6.002 799 514 A 9 VAL HB A 13 GLY H 1.0 2.000 5.984 800 515 A 11 TYR H A 9 VAL HB 1.0 1.999 5.797 801 516 A 25 PHE H A 22 PRO HB3 1.0 1.999 5.781 802 517 A 17 ARG HB3 A 17 ARG HE 1.0 2.000 5.946 803 518 A 26 ALA H A 40 VAL HB 1.0 1.979 5.217 804 519 A 16 ILE HB A 14 TYR HD1 1.0 1.964 4.970 805 519 A 16 ILE HB A 14 TYR HD2 1.0 1.964 4.970 806 520 A 5 THR H A 3 ARG HB3 1.0 2.000 6.052 807 521 A 40 VAL H A 39 CYS HB2 1.0 1.972 5.090 808 522 A 25 PHE H A 24 PRO HB2 1.0 1.964 4.968 809 523 A 26 ALA H A 39 CYS HB2 1.0 2.000 5.896 810 524 A 31 CYS H A 36 LYS HB2 1.0 1.975 5.125 811 525 A 33 TRP HE3 A 3 ARG HB2 1.0 1.993 6.479 812 526 A 5 THR H A 3 ARG HB2 1.0 1.999 5.813 813 527 A 8 CYS H A 7 ARG HG2 1.0 1.993 5.547 814 528 A 35 GLN H A 34 ARG HG2 1.0 1.999 6.115 815 529 A 33 TRP HE1 A 2 PRO HB3 1.0 1.989 5.429 816 530 A 3 ARG H A 2 PRO HG2 1.0 2.000 5.896 817 531 A 33 TRP HD1 A 2 PRO HB3 1.0 1.995 5.611 818 532 A 20 VAL H A 19 LYS HG2 1.0 1.999 5.859 819 533 A 34 ARG HE A 34 ARG HG3 1.0 1.974 5.120 820 534 A 35 GLN H A 34 ARG HG3 1.0 1.998 5.746 821 535 A 20 VAL H A 19 LYS HG3 1.0 1.999 5.877 822 536 A 27 ALA HB% A 38 CYS H 1.0 1.987 5.373 823 537 A 26 ALA HB% A 25 PHE HD2 1.0 1.972 5.094 824 537 A 26 ALA HB% A 25 PHE HD1 1.0 1.972 5.094 825 538 A 26 ALA HB% A 28 PHE HE2 1.0 0.000 6.000 826 538 A 26 ALA HB% A 28 PHE HE1 1.0 0.000 6.000 827 539 A 7 ARG HG3 A 28 PHE HE1 1.0 1.979 6.839 828 539 A 7 ARG HG3 A 28 PHE HE2 1.0 1.979 6.839 829 540 A 7 ARG H A 5 THR HG2% 1.0 2.000 6.000 830 541 A 35 GLN H A 36 LYS HB3 1.0 1.984 5.304 831 542 A 18 SER H A 36 LYS HB3 1.0 2.000 6.004 832 543 A 16 ILE H A 37 THR HG2% 1.0 1.999 6.113 833 544 A 20 VAL H A 37 THR HG2% 1.0 2.000 5.928 834 545 A 30 THR HG2% A 29 GLY H 1.0 1.972 5.082 835 546 A 36 LYS H A 30 THR HG2% 1.0 1.987 5.365 836 547 A 30 THR HG2% A 30 THR H 1.0 1.975 5.123 837 548 A 35 GLN H A 30 THR HG2% 1.0 1.989 5.415 838 549 A 34 ARG HE A 30 THR HG2% 1.0 1.989 5.403 839 550 A 37 THR H A 16 ILE HG13 1.0 1.985 5.317 840 551 A 16 ILE HG13 A 17 ARG HE 1.0 1.997 5.713 841 552 A 11 TYR H A 9 VAL HG1% 1.0 2.000 5.958 842 553 A 11 TYR H A 40 VAL HG1% 1.0 1.974 5.104 843 554 A 40 VAL HG1% A 12 HIS HD2 1.0 1.976 5.154 844 555 A 23 LYS H A 20 VAL HG1% 1.0 1.999 5.841 845 556 A 11 TYR HE1 A 40 VAL HG1% 1.0 1.982 5.244 846 556 A 11 TYR HE2 A 40 VAL HG1% 1.0 1.982 5.244 847 557 A 40 VAL HG1% A 28 PHE HE1 1.0 1.990 5.446 848 557 A 40 VAL HG1% A 28 PHE HE2 1.0 1.990 5.446 849 558 A 37 THR H A 16 ILE HG2% 1.0 1.974 5.110 850 559 A 11 TYR H A 40 VAL HG2% 1.0 1.999 6.145 851 560 A 40 VAL HG2% A 28 PHE HE1 1.0 1.991 5.445 852 560 A 40 VAL HG2% A 28 PHE HE2 1.0 1.991 5.445 853 561 A 27 ALA H A 40 VAL HG2% 1.0 1.999 6.227 854 562 A 11 TYR HE2 A 40 VAL HG2% 1.0 1.988 5.390 855 562 A 11 TYR HE1 A 40 VAL HG2% 1.0 1.988 5.390 856 563 A 16 ILE H A 16 ILE HD1% 1.0 1.966 4.996 857 564 A 17 ARG H A 16 ILE HD1% 1.0 1.972 5.086 858 565 A 32 SER H A 2 PRO HB2 1.0 1.966 4.992 859 566 A 3 ARG H A 2 PRO HB2 1.0 1.993 5.555 860 567 A 25 PHE HB3 A 14 TYR HE1 1.0 1.996 5.692 861 567 A 25 PHE HB3 A 14 TYR HE2 1.0 1.996 5.692 862 568 A 14 TYR HE1 A 25 PHE HB2 1.0 1.988 5.410 863 568 A 14 TYR HE2 A 25 PHE HB2 1.0 1.988 5.410 864 569 A 14 TYR HE1 A 14 TYR HB3 1.0 1.974 5.110 865 569 A 14 TYR HE2 A 14 TYR HB3 1.0 1.974 5.110 866 570 A 14 TYR HE1 A 14 TYR HB2 1.0 1.976 5.150 867 570 A 14 TYR HE2 A 14 TYR HB2 1.0 1.976 5.150 868 571 A 14 TYR HE1 A 22 PRO HG2 1.0 2.000 6.130 869 571 A 14 TYR HE2 A 22 PRO HG2 1.0 2.000 6.130 870 572 A 14 TYR HE1 A 22 PRO HG3 1.0 1.999 6.147 871 572 A 14 TYR HE2 A 22 PRO HG3 1.0 1.999 6.147 872 573 A 14 TYR HE1 A 16 ILE HG12 1.0 2.000 6.064 873 573 A 14 TYR HE2 A 16 ILE HG12 1.0 2.000 6.064 874 574 A 14 TYR HE1 A 16 ILE HG13 1.0 1.999 6.101 875 574 A 14 TYR HE2 A 16 ILE HG13 1.0 1.999 6.101 876 575 A 14 TYR HE2 A 16 ILE HD1% 1.0 1.963 4.951 877 575 A 14 TYR HE1 A 16 ILE HD1% 1.0 1.963 4.951 878 576 A 34 ARG H A 33 TRP H 1.0 1.987 5.355 879 577 A 32 SER H A 33 TRP H 1.0 2.000 6.080 880 578 A 33 TRP HZ2 A 33 TRP HE1 1.0 1.664 3.054 881 579 A 33 TRP HD1 A 33 TRP HE1 1.0 1.534 2.602 882 580 A 25 PHE H A 25 PHE HE1 1.0 0.000 6.000 883 580 A 25 PHE H A 25 PHE HE2 1.0 0.000 6.000 884 581 A 25 PHE HE1 A 40 VAL H 1.0 1.993 5.519 885 581 A 25 PHE HE2 A 40 VAL H 1.0 1.993 5.519 886 582 A 25 PHE HE1 A 26 ALA H 1.0 0.000 6.000 887 582 A 25 PHE HE2 A 26 ALA H 1.0 0.000 6.000 888 583 A 25 PHE HD1 A 40 VAL H 1.0 1.986 5.334 889 583 A 25 PHE HD2 A 40 VAL H 1.0 1.986 5.334 890 584 A 25 PHE H A 25 PHE HD1 1.0 0.000 6.000 891 584 A 25 PHE H A 25 PHE HD2 1.0 0.000 6.000 892 585 A 26 ALA H A 25 PHE HD1 1.0 1.927 4.539 893 585 A 26 ALA H A 25 PHE HD2 1.0 1.927 4.539 894 586 A 28 PHE H A 28 PHE HD1 1.0 1.980 5.214 895 586 A 28 PHE H A 28 PHE HD2 1.0 1.980 5.214 896 587 A 16 ILE H A 14 TYR HD1 1.0 1.994 6.450 897 587 A 16 ILE H A 14 TYR HD2 1.0 1.994 6.450 898 588 A 38 CYS H A 39 CYS H 1.0 1.995 5.591 899 589 A 28 PHE H A 38 CYS H 1.0 1.966 4.988 900 590 A 21 CYS H A 20 VAL H 1.0 1.933 4.609 901 591 A 34 ARG H A 33 TRP HE3 1.0 1.973 5.099 902 592 A 18 SER H A 37 THR H 1.0 1.973 5.093 903 593 A 18 SER H A 17 ARG H 1.0 0.000 6.000 904 594 A 39 CYS H A 14 TYR H 1.0 1.819 3.775 905 595 A 16 ILE H A 15 CYS H 1.0 1.978 5.180 906 596 A 25 PHE H A 23 LYS H 1.0 1.950 4.782 907 597 A 27 ALA H A 40 VAL H 1.0 1.976 6.888 908 598 A 26 ALA H A 27 ALA H 1.0 1.953 4.823 909 599 A 21 CYS H A 27 ALA H 1.0 1.970 5.048 910 600 A 37 THR H A 36 LYS H 1.0 1.989 5.409 911 601 A 34 ARG H A 36 LYS H 1.0 1.961 4.931 912 602 A 28 PHE H A 29 GLY H 1.0 1.877 4.143 913 603 A 16 ILE H A 37 THR H 1.0 1.844 3.922 914 604 A 26 ALA H A 40 VAL H 1.0 1.719 3.285 915 605 A 16 ILE H A 17 ARG H 1.0 1.980 5.216 916 606 A 25 PHE HE1 A 14 TYR HE2 1.0 1.863 4.045 917 606 A 25 PHE HE1 A 14 TYR HE1 1.0 1.863 4.045 918 606 A 25 PHE HE2 A 14 TYR HE1 1.0 1.863 4.045 919 606 A 25 PHE HE2 A 14 TYR HE2 1.0 1.863 4.045 920 607 A 14 TYR HE1 A 17 ARG HE 1.0 0.000 6.000 921 607 A 14 TYR HE2 A 17 ARG HE 1.0 0.000 6.000 922 608 A 25 PHE HD1 A 14 TYR HE1 1.0 1.863 4.045 923 608 A 25 PHE HD1 A 14 TYR HE2 1.0 1.863 4.045 924 608 A 25 PHE HD2 A 14 TYR HE1 1.0 1.863 4.045 925 608 A 25 PHE HD2 A 14 TYR HE2 1.0 1.863 4.045 926 609 A 14 TYR HE1 A 14 TYR HD1 1.0 1.407 2.235 927 609 A 14 TYR HE2 A 14 TYR HD1 1.0 1.407 2.235 928 609 A 14 TYR HE1 A 14 TYR HD2 1.0 1.407 2.235 929 609 A 14 TYR HE2 A 14 TYR HD2 1.0 1.407 2.235 930 610 A 14 TYR H A 14 TYR HD1 1.0 1.716 3.270 931 610 A 14 TYR H A 14 TYR HD2 1.0 1.716 3.270 932 611 A 15 CYS H A 14 TYR HD1 1.0 1.884 4.188 933 611 A 15 CYS H A 14 TYR HD2 1.0 1.884 4.188 934 612 A 35 GLN H A 36 LYS H 1.0 1.626 2.916 935 613 A 19 LYS H A 20 VAL H 1.0 1.630 2.930 936 614 A 6 SER H A 5 THR H 1.0 1.740 3.376 937 615 A 5 THR H A 4 ASP H 1.0 1.675 3.101 938 616 A 11 TYR H A 13 GLY H 1.0 0.000 6.000 939 617 A 11 TYR H A 12 HIS H 1.0 0.000 6.000 940 618 A 10 GLY H A 11 TYR H 1.0 1.690 3.164 941 619 A 3 ARG H A 4 ASP H 1.0 1.826 3.812 942 620 A 8 CYS H A 11 TYR HD2 1.0 0.000 6.000 943 620 A 8 CYS H A 11 TYR HD1 1.0 0.000 6.000 944 621 A 8 CYS H A 9 VAL H 1.0 1.695 3.183 945 622 A 10 GLY H A 9 VAL H 1.0 1.703 3.215 946 623 A 13 GLY H A 12 HIS H 1.0 0.000 6.000 947 624 A 33 TRP HZ2 A 33 TRP HH2 1.0 1.461 2.385 948 625 A 33 TRP HE3 A 33 TRP HZ3 1.0 1.541 2.625 949 626 A 35 GLN HE22 A 35 GLN HE21 1.0 1.243 1.835 950 627 A 11 TYR HE1 A 11 TYR HD2 1.0 1.413 2.253 951 627 A 11 TYR HE2 A 11 TYR HD2 1.0 1.413 2.253 952 627 A 11 TYR HE1 A 11 TYR HD1 1.0 1.413 2.253 953 627 A 11 TYR HE2 A 11 TYR HD1 1.0 1.413 2.253 954 628 A 25 PHE HE1 A 25 PHE HD1 1.0 0.000 6.000 955 628 A 25 PHE HE1 A 25 PHE HD2 1.0 0.000 6.000 956 628 A 25 PHE HE2 A 25 PHE HD1 1.0 0.000 6.000 957 628 A 25 PHE HE2 A 25 PHE HD2 1.0 0.000 6.000 958 629 A 33 TRP HZ3 A 33 TRP HH2 1.0 0.000 6.000 959 630 A 28 PHE HD1 A 28 PHE HE2 1.0 0.000 6.000 960 630 A 28 PHE HD2 A 28 PHE HE1 1.0 0.000 6.000 961 630 A 28 PHE HD2 A 28 PHE HE2 1.0 0.000 6.000 962 630 A 28 PHE HD1 A 28 PHE HE1 1.0 0.000 6.000 963 631 A 25 PHE HB3 A 39 CYS HA 1.0 1.979 5.193 964 632 A 39 CYS HA A 25 PHE HB2 1.0 1.947 4.755 965 633 A 15 CYS HA A 15 CYS HB3 1.0 1.803 3.687 966 634 A 15 CYS HA A 15 CYS HB2 1.0 1.714 3.260 967 635 A 39 CYS HA A 39 CYS HB3 1.0 1.769 3.513 968 636 A 39 CYS HA A 39 CYS HB2 1.0 1.916 4.440 969 637 A 15 CYS HA A 36 LYS HB2 1.0 1.977 5.161 970 638 A 39 CYS HA A 37 THR HG2% 1.0 1.932 4.596 971 639 A 15 CYS HA A 16 ILE HG13 1.0 1.967 5.015 972 640 A 15 CYS HA A 16 ILE HG2% 1.0 1.919 4.465 973 641 A 39 CYS HA A 40 VAL HG2% 1.0 1.906 4.358 974 642 A 15 CYS HA A 38 CYS HA 1.0 1.811 3.727 975 643 A 34 ARG H A 35 GLN HA 1.0 1.998 6.290 976 644 A 28 PHE H A 37 THR HA 1.0 1.986 6.668 977 645 A 37 THR H A 36 LYS HE3 1.0 1.993 6.503 978 646 A 25 PHE HD1 A 24 PRO HD2 1.0 1.850 3.958 979 646 A 25 PHE HD2 A 24 PRO HD2 1.0 1.850 3.958 980 647 A 25 PHE HE1 A 40 VAL HG2% 1.0 0.000 6.000 981 647 A 25 PHE HE2 A 40 VAL HG2% 1.0 0.000 6.000 982 648 A 26 ALA HB% A 40 VAL H 1.0 1.902 4.324 983 649 A 27 ALA HB% A 39 CYS H 1.0 1.966 7.068 984 650 A 39 CYS H A 16 ILE HG2% 1.0 1.992 5.490 985 651 A 7 ARG H A 9 VAL HG1% 1.0 1.998 6.256 986 652 A 5 THR H A 4 ASP HA 1.0 1.945 4.729 987 653 A 33 TRP HA A 33 TRP HE1 1.0 1.999 6.197 988 654 A 32 SER H A 32 SER HA 1.0 1.919 4.479 989 655 A 5 THR HA A 9 VAL H 1.0 1.928 4.562 990 656 A 11 TYR HD2 A 7 ARG HG2 1.0 1.876 4.134 991 656 A 11 TYR HD1 A 7 ARG HG2 1.0 1.876 4.134 992 657 A 40 VAL HG2% A 14 TYR H 1.0 1.958 4.890 993 658 A 2 PRO HB2 A 33 TRP H 1.0 1.995 6.399 994 659 A 28 PHE HE1 A 4 ASP HA 1.0 1.981 6.791 995 659 A 28 PHE HE2 A 4 ASP HA 1.0 1.981 6.791 996 660 A 3 ARG HD3 A 3 ARG HE 1.0 1.997 6.291 997 661 A 28 PHE HE1 A 11 TYR HB3 1.0 1.989 6.605 998 661 A 28 PHE HE2 A 11 TYR HB3 1.0 1.989 6.605 999 662 A 33 TRP HB2 A 33 TRP H 1.0 1.976 6.892 1000 663 A 33 TRP HB2 A 33 TRP HE1 1.0 1.995 6.393 1001 664 A 32 SER HB3 A 33 TRP HE1 1.0 1.941 7.425 1002 665 A 33 TRP HB3 A 33 TRP H 1.0 1.965 7.087 1003 666 A 33 TRP HB3 A 33 TRP HE1 1.0 1.999 6.225 1004 667 A 38 CYS H A 38 CYS HB3 1.0 1.745 3.403 1005 668 A 36 LYS H A 35 GLN HG3 1.0 1.993 5.533 1006 669 A 25 PHE HE1 A 24 PRO HB3 1.0 1.960 7.180 1007 669 A 25 PHE HE2 A 24 PRO HB3 1.0 1.960 7.180 1008 670 A 28 PHE HD1 A 7 ARG HG3 1.0 1.989 6.613 1009 670 A 28 PHE HD2 A 7 ARG HG3 1.0 1.989 6.613 1010 671 A 28 PHE HD1 A 7 ARG HG2 1.0 1.970 7.006 1011 671 A 28 PHE HD2 A 7 ARG HG2 1.0 1.970 7.006 1012 672 A 37 THR HG2% A 39 CYS H 1.0 1.985 5.323 1013 673 A 40 VAL HG2% A 12 HIS H 1.0 1.963 7.125 1014 674 A 40 VAL HG2% A 12 HIS HD2 1.0 2.000 6.048 1015 675 A 37 THR H A 16 ILE HD1% 1.0 1.999 6.207 1016 676 A 40 VAL HG1% A 28 PHE HZ 1.0 1.997 6.305 1017 677 A 28 PHE HZ A 40 VAL HG2% 1.0 1.988 6.614 1018 678 A 33 TRP HE3 A 33 TRP H 1.0 1.986 6.684 1019 679 A 39 CYS H A 14 TYR HD1 1.0 1.995 5.625 1020 679 A 39 CYS H A 14 TYR HD2 1.0 1.995 5.625 1021 680 A 34 ARG H A 35 GLN H 1.0 1.815 3.753 1022 681 A 28 PHE H A 27 ALA H 1.0 1.942 4.700 1023 682 A 18 SER H A 19 LYS H 1.0 1.998 6.224 1024 683 A 4 ASP H A 33 TRP HE3 1.0 1.999 5.829 1025 684 A 7 ARG H A 4 ASP H 1.0 1.997 6.311 1026 685 A 7 ARG H A 9 VAL H 1.0 1.966 4.986 1027 686 A 9 VAL H A 11 TYR H 1.0 1.959 4.895 1028 687 A 12 HIS HE1 A 12 HIS HD2 1.0 1.930 4.572 1029 688 A 10 GLY H A 11 TYR HD2 1.0 1.998 6.208 1030 688 A 10 GLY H A 11 TYR HD1 1.0 1.998 6.208 1031 689 A 12 HIS H A 12 HIS HD2 1.0 1.970 5.056 1032 690 A 28 PHE HD1 A 29 GLY H 1.0 1.963 4.961 1033 690 A 28 PHE HD2 A 29 GLY H 1.0 1.963 4.961 1034 691 A 39 CYS HA A 38 CYS HA 1.0 1.984 6.738 1035 692 A 39 CYS HA A 27 ALA HA 1.0 1.986 5.332 1036 693 A 39 CYS HA A 26 ALA HA 1.0 2.000 6.064 1037 694 A 39 CYS HA A 40 VAL HA 1.0 1.993 5.549 1038 695 A 37 THR HB A 15 CYS HA 1.0 2.000 5.898 1039 696 A 31 CYS HB3 A 15 CYS HA 1.0 1.998 5.734 1040 697 A 15 CYS HA A 31 CYS HB2 1.0 1.988 5.400 1041 698 A 39 CYS HA A 28 PHE HB2 1.0 1.999 6.181 1042 699 A 39 CYS HA A 40 VAL HB 1.0 0.000 6.000 1043 700 A 15 CYS HA A 16 ILE HB 1.0 1.998 5.768 1044 701 A 15 CYS HA A 16 ILE HG12 1.0 1.999 5.779 1045 702 A 15 CYS HA A 36 LYS HB3 1.0 1.999 6.025 1046 703 A 15 CYS HA A 37 THR HG2% 1.0 1.987 6.655 1047 704 A 40 VAL HG1% A 39 CYS HA 1.0 1.950 4.784 1048 705 A 14 TYR HE1 A 14 TYR HA 1.0 1.990 6.574 1049 705 A 14 TYR HE2 A 14 TYR HA 1.0 1.990 6.574 1050 706 A 14 TYR HE1 A 40 VAL HA 1.0 1.995 6.413 1051 706 A 14 TYR HE2 A 40 VAL HA 1.0 1.995 6.413 1052 707 A 34 ARG H A 33 TRP HD1 1.0 1.979 6.833 1053 708 A 14 TYR HE1 A 39 CYS H 1.0 1.988 6.638 1054 708 A 14 TYR HE2 A 39 CYS H 1.0 1.988 6.638 1055 709 A 25 PHE H A 14 TYR HE1 1.0 1.956 7.224 1056 709 A 25 PHE H A 14 TYR HE2 1.0 1.956 7.224 1057 710 A 14 TYR HE1 A 14 TYR H 1.0 1.975 5.139 1058 710 A 14 TYR HE2 A 14 TYR H 1.0 1.975 5.139 1059 711 A 25 PHE HE1 A 14 TYR HD1 1.0 1.900 4.318 1060 711 A 25 PHE HE1 A 14 TYR HD2 1.0 1.900 4.318 1061 711 A 25 PHE HE2 A 14 TYR HD1 1.0 1.900 4.318 1062 711 A 25 PHE HE2 A 14 TYR HD2 1.0 1.900 4.318 1063 712 A 30 THR HA A 30 THR HB 1.0 1.856 3.998 1064 713 A 31 CYS HA A 30 THR HA 1.0 1.997 6.293 1065 714 A 30 THR HA A 37 THR HA 1.0 1.581 2.757 1066 715 A 37 THR HB A 30 THR HA 1.0 0.000 6.000 1067 716 A 24 PRO HA A 23 LYS HA 1.0 1.576 2.740 1068 717 A 30 THR HB A 37 THR HA 1.0 1.976 5.160 1069 718 A 18 SER HA A 18 SER HB3 1.0 1.979 5.197 1070 719 A 5 THR HA A 31 CYS HA 1.0 1.875 4.123 1071 720 A 3 ARG HD3 A 33 TRP HA 1.0 1.712 3.254 1072 721 A 5 THR HA A 5 THR HB 1.0 0.000 6.000 1073 722 A 18 SER HB3 A 18 SER HB2 1.0 0.000 6.000 1074 723 A 12 HIS HA A 9 VAL HA 1.0 1.997 5.699 1075 724 A 1 LEU HA A 2 PRO HD3 1.0 1.971 5.071 1076 725 A 18 SER HA A 18 SER HB2 1.0 1.981 6.817 1077 726 A 34 ARG HA A 30 THR HB 1.0 1.829 3.829 1078 727 A 12 HIS HA A 12 HIS HB3 1.0 1.945 4.719 1079 728 A 12 HIS HA A 12 HIS HB2 1.0 1.972 5.080 1080 729 A 33 TRP HB2 A 33 TRP HA 1.0 1.826 3.814 1081 730 A 32 SER HB2 A 32 SER HA 1.0 1.618 2.886 1082 731 A 32 SER HB3 A 32 SER HA 1.0 1.829 3.831 1083 732 A 8 CYS HA A 13 GLY HA2 1.0 1.965 7.083 1084 733 A 11 TYR HA A 11 TYR HB3 1.0 1.978 5.178 1085 734 A 8 CYS HA A 11 TYR HB3 1.0 1.989 5.437 1086 735 A 38 CYS HA A 38 CYS HB3 1.0 1.868 4.076 1087 736 A 30 THR HA A 38 CYS HB3 1.0 1.950 4.780 1088 737 A 25 PHE HB3 A 25 PHE HA 1.0 1.926 4.536 1089 738 A 14 TYR HB3 A 14 TYR HA 1.0 1.904 4.338 1090 739 A 14 TYR HB2 A 14 TYR HA 1.0 1.907 4.363 1091 740 A 25 PHE HB2 A 25 PHE HA 1.0 1.818 3.770 1092 741 A 28 PHE HB3 A 28 PHE HA 1.0 1.880 4.158 1093 742 A 11 TYR HA A 11 TYR HB2 1.0 1.829 3.833 1094 743 A 24 PRO HA A 24 PRO HD2 1.0 1.979 5.195 1095 744 A 28 PHE HA A 28 PHE HB2 1.0 1.759 3.465 1096 745 A 12 HIS HB3 A 12 HIS HB2 1.0 1.599 2.821 1097 746 A 32 SER HB3 A 32 SER HB2 1.0 1.758 3.458 1098 747 A 33 TRP HB2 A 33 TRP HB3 1.0 0.000 6.000 1099 748 A 2 PRO HD2 A 2 PRO HD3 1.0 0.000 6.000 1100 749 A 33 TRP HA A 33 TRP HB3 1.0 1.960 4.920 1101 750 A 2 PRO HD2 A 5 THR HB 1.0 1.825 3.809 1102 751 A 3 ARG HD3 A 3 ARG HD2 1.0 0.000 6.000 1103 752 A 5 THR HA A 31 CYS HB3 1.0 1.878 4.146 1104 753 A 31 CYS HA A 31 CYS HB2 1.0 1.876 4.136 1105 754 A 37 THR HA A 38 CYS HB3 1.0 1.956 4.852 1106 755 A 8 CYS HA A 11 TYR HB2 1.0 1.977 5.167 1107 756 A 4 ASP HB2 A 4 ASP HA 1.0 1.998 6.236 1108 757 A 35 GLN HA A 35 GLN HG3 1.0 1.891 4.241 1109 758 A 4 ASP HB3 A 4 ASP HA 1.0 1.969 5.029 1110 759 A 35 GLN HA A 35 GLN HG2 1.0 1.829 3.831 1111 760 A 8 CYS HA A 38 CYS HB2 1.0 1.930 7.566 1112 761 A 38 CYS HB2 A 37 THR HA 1.0 1.997 6.319 1113 762 A 38 CYS HB2 A 30 THR HA 1.0 2.000 5.942 1114 763 A 38 CYS HB2 A 38 CYS HA 1.0 1.940 4.678 1115 764 A 25 PHE HA A 39 CYS HB3 1.0 1.964 7.106 1116 765 A 37 THR HG2% A 30 THR HA 1.0 1.892 4.248 1117 766 A 30 THR HG2% A 30 THR HA 1.0 1.575 2.737 1118 767 A 24 PRO HA A 24 PRO HB3 1.0 1.737 3.361 1119 768 A 22 PRO HA A 22 PRO HB2 1.0 1.706 3.226 1120 769 A 22 PRO HA A 22 PRO HG2 1.0 0.000 6.000 1121 770 A 22 PRO HG2 A 21 CYS HA 1.0 1.992 6.508 1122 771 A 21 CYS HA A 22 PRO HG3 1.0 1.999 6.127 1123 772 A 22 PRO HA A 22 PRO HG3 1.0 1.843 3.915 1124 773 A 34 ARG HB2 A 30 THR HB 1.0 1.994 5.586 1125 774 A 35 GLN HA A 35 GLN HB3 1.0 1.917 4.451 1126 775 A 35 GLN HA A 34 ARG HB2 1.0 1.990 5.438 1127 776 A 17 ARG HA A 17 ARG HB3 1.0 1.806 3.702 1128 777 A 22 PRO HA A 22 PRO HB3 1.0 1.727 3.315 1129 778 A 40 VAL HA A 40 VAL HB 1.0 1.784 3.586 1130 779 A 24 PRO HA A 24 PRO HB2 1.0 1.742 3.382 1131 780 A 16 ILE HB A 16 ILE HA 1.0 1.829 3.837 1132 781 A 38 CYS HA A 39 CYS HB2 1.0 2.000 6.094 1133 782 A 23 LYS HA A 24 PRO HB2 1.0 1.975 5.129 1134 783 A 17 ARG HA A 36 LYS HB2 1.0 1.936 4.626 1135 784 A 16 ILE HG12 A 16 ILE HA 1.0 1.985 5.305 1136 785 A 27 ALA HB% A 27 ALA HA 1.0 1.882 4.182 1137 786 A 26 ALA HB% A 26 ALA HA 1.0 1.507 2.521 1138 787 A 17 ARG HA A 36 LYS HB3 1.0 0.000 6.000 1139 788 A 30 THR HG2% A 30 THR HB 1.0 1.559 2.683 1140 789 A 16 ILE HA A 16 ILE HG2% 1.0 1.743 3.389 1141 790 A 16 ILE HD1% A 16 ILE HA 1.0 1.979 5.189 1142 791 A 16 ILE HD1% A 21 CYS HA 1.0 1.807 3.705 1143 792 A 40 VAL HG1% A 13 GLY HA3 1.0 1.905 4.351 1144 793 A 40 VAL HG1% A 40 VAL HA 1.0 1.673 3.091 1145 794 A 40 VAL HG2% A 40 VAL HA 1.0 1.750 3.422 1146 795 A 37 THR HG2% A 38 CYS HA 1.0 1.979 5.207 1147 796 A 37 THR HG2% A 36 LYS HA 1.0 0.000 6.000 1148 797 A 16 ILE HA A 16 ILE HG13 1.0 1.996 6.390 1149 798 A 23 LYS HA A 24 PRO HB3 1.0 1.968 5.022 1150 799 A 35 GLN HA A 35 GLN HB2 1.0 1.774 3.534 1151 800 A 5 THR HA A 38 CYS HB2 1.0 1.896 7.928 1152 801 A 22 PRO HD2 A 22 PRO HG2 1.0 1.937 4.641 1153 802 A 34 ARG HA A 35 GLN HG2 1.0 1.996 6.362 1154 803 A 34 ARG HA A 34 ARG HB3 1.0 1.967 5.009 1155 804 A 22 PRO HD2 A 22 PRO HB2 1.0 1.975 5.125 1156 805 A 31 CYS HB3 A 31 CYS HB2 1.0 1.639 2.963 1157 806 A 25 PHE HB3 A 25 PHE HB2 1.0 1.507 2.521 1158 807 A 11 TYR HB3 A 11 TYR HB2 1.0 1.473 2.421 1159 808 A 24 PRO HD3 A 24 PRO HD2 1.0 1.425 2.285 1160 809 A 33 TRP HB2 A 35 GLN HG3 1.0 2.000 6.088 1161 810 A 14 TYR HB3 A 14 TYR HB2 1.0 1.413 2.251 1162 811 A 28 PHE HB3 A 28 PHE HB2 1.0 1.359 2.111 1163 812 A 31 CYS HB2 A 15 CYS HB2 1.0 1.944 4.714 1164 813 A 25 PHE HB2 A 39 CYS HB3 1.0 1.903 4.329 1165 814 A 38 CYS HB2 A 38 CYS HB3 1.0 1.658 3.036 1166 815 A 24 PRO HD3 A 24 PRO HB3 1.0 1.930 4.580 1167 816 A 15 CYS HB3 A 15 CYS HB2 1.0 1.614 2.872 1168 817 A 4 ASP HB2 A 4 ASP HB3 1.0 1.466 2.400 1169 818 A 35 GLN HG2 A 35 GLN HG3 1.0 1.433 2.307 1170 819 A 32 SER HB2 A 35 GLN HB3 1.0 1.979 5.197 1171 820 A 34 ARG HA A 34 ARG HB2 1.0 1.830 3.840 1172 821 A 22 PRO HD2 A 22 PRO HG3 1.0 1.889 4.227 1173 822 A 9 VAL HB A 9 VAL HA 1.0 1.901 4.321 1174 823 A 22 PRO HD2 A 22 PRO HB3 1.0 1.993 5.527 1175 824 A 9 VAL HB A 6 SER HA 1.0 1.865 4.057 1176 825 A 3 ARG HB3 A 3 ARG HA 1.0 1.796 3.646 1177 826 A 3 ARG HB2 A 3 ARG HA 1.0 1.700 3.202 1178 827 A 19 LYS HA A 19 LYS HB3 1.0 1.772 3.526 1179 828 A 1 LEU HB3 A 1 LEU HA 1.0 1.915 4.431 1180 829 A 34 ARG HG2 A 35 GLN HA 1.0 1.911 4.407 1181 830 A 1 LEU HB3 A 5 THR HB 1.0 1.929 4.567 1182 831 A 5 THR HB A 1 LEU HG 1.0 1.953 4.819 1183 832 A 7 ARG HA A 7 ARG HG2 1.0 1.919 4.477 1184 833 A 2 PRO HA A 2 PRO HG3 1.0 1.955 4.847 1185 834 A 37 THR HB A 16 ILE HG12 1.0 1.828 3.822 1186 835 A 2 PRO HA A 2 PRO HB3 1.0 1.879 4.153 1187 836 A 5 THR HB A 2 PRO HG2 1.0 1.933 4.599 1188 837 A 5 THR HB A 1 LEU HB2 1.0 1.917 4.453 1189 838 A 19 LYS HA A 19 LYS HG2 1.0 1.902 4.332 1190 839 A 19 LYS HA A 19 LYS HG3 1.0 1.905 4.357 1191 840 A 27 ALA HB% A 20 VAL HA 1.0 1.878 4.144 1192 841 A 1 LEU HA A 1 LEU HB2 1.0 1.880 4.162 1193 842 A 27 ALA HB% A 37 THR HB 1.0 1.998 6.290 1194 843 A 5 THR HG2% A 31 CYS HA 1.0 0.000 6.000 1195 844 A 31 CYS HA A 36 LYS HB3 1.0 1.997 6.327 1196 845 A 36 LYS HB3 A 32 SER HA 1.0 1.966 4.984 1197 846 A 37 THR HG2% A 37 THR HA 1.0 1.584 2.768 1198 847 A 30 THR HG2% A 37 THR HA 1.0 1.750 3.424 1199 848 A 5 THR HA A 5 THR HG2% 1.0 1.641 2.971 1200 849 A 37 THR HB A 37 THR HG2% 1.0 1.558 2.680 1201 850 A 20 VAL HG1% A 20 VAL HA 1.0 1.601 2.827 1202 851 A 20 VAL HG2% A 20 VAL HA 1.0 1.610 2.856 1203 852 A 17 ARG HA A 16 ILE HG2% 1.0 0.000 6.000 1204 853 A 9 VAL HG1% A 5 THR HB 1.0 1.999 5.863 1205 854 A 32 SER HB2 A 36 LYS HB2 1.0 1.999 6.205 1206 855 A 34 ARG HA A 34 ARG HG2 1.0 1.905 4.351 1207 856 A 34 ARG HA A 34 ARG HG3 1.0 1.929 4.557 1208 857 A 2 PRO HG3 A 32 SER HB3 1.0 1.836 3.874 1209 858 A 32 SER HB3 A 2 PRO HG2 1.0 1.953 4.817 1210 859 A 32 SER HB2 A 36 LYS HB3 1.0 1.959 4.901 1211 860 A 34 ARG HA A 30 THR HG2% 1.0 1.654 3.016 1212 861 A 37 THR HB A 16 ILE HG13 1.0 1.914 4.432 1213 862 A 9 VAL HG1% A 6 SER HA 1.0 1.709 3.237 1214 863 A 37 THR HB A 16 ILE HG2% 1.0 0.000 6.000 1215 864 A 18 SER HB3 A 16 ILE HG2% 1.0 1.970 5.050 1216 865 A 18 SER HB3 A 20 VAL HG2% 1.0 2.000 5.852 1217 866 A 18 SER HB3 A 16 ILE HD1% 1.0 1.893 4.259 1218 867 A 37 THR HB A 16 ILE HD1% 1.0 1.889 4.223 1219 868 A 22 PRO HD2 A 16 ILE HD1% 1.0 1.903 4.333 1220 869 A 9 VAL HG2% A 9 VAL HA 1.0 1.765 3.495 1221 870 A 9 VAL HG1% A 9 VAL HA 1.0 1.715 3.265 1222 871 A 2 PRO HA A 2 PRO HB2 1.0 1.876 4.130 1223 872 A 2 PRO HB2 A 5 THR HB 1.0 1.960 7.172 1224 873 A 16 ILE HD1% A 22 PRO HD3 1.0 1.998 5.728 1225 874 A 40 VAL HG1% A 13 GLY HA2 1.0 1.858 4.010 1226 875 A 40 VAL HG2% A 13 GLY HA2 1.0 0.000 6.000 1227 876 A 32 SER HB3 A 2 PRO HB2 1.0 1.998 6.260 1228 877 A 24 PRO HD2 A 24 PRO HB3 1.0 1.976 5.138 1229 878 A 35 GLN HB2 A 35 GLN HG3 1.0 1.816 3.756 1230 879 A 35 GLN HG2 A 35 GLN HB2 1.0 1.734 3.348 1231 880 A 35 GLN HB3 A 35 GLN HG3 1.0 1.827 3.819 1232 881 A 35 GLN HG2 A 35 GLN HB3 1.0 1.826 3.812 1233 882 A 11 TYR HB3 A 40 VAL HB 1.0 1.997 6.319 1234 883 A 24 PRO HD3 A 24 PRO HB2 1.0 1.852 3.968 1235 884 A 3 ARG HD2 A 3 ARG HB2 1.0 1.657 3.031 1236 885 A 31 CYS HB3 A 36 LYS HB2 1.0 1.979 5.199 1237 886 A 31 CYS HB2 A 36 LYS HB2 1.0 1.874 4.120 1238 887 A 25 PHE HB2 A 39 CYS HB2 1.0 1.895 4.279 1239 888 A 28 PHE HB3 A 40 VAL HB 1.0 0.000 6.000 1240 889 A 36 LYS HE3 A 36 LYS HB2 1.0 1.958 4.878 1241 890 A 24 PRO HD2 A 24 PRO HB2 1.0 1.960 4.906 1242 891 A 36 LYS HE2 A 36 LYS HB2 1.0 2.000 5.908 1243 892 A 28 PHE HB2 A 40 VAL HB 1.0 1.950 4.792 1244 893 A 39 CYS HB2 A 39 CYS HB3 1.0 1.556 2.674 1245 894 A 15 CYS HB2 A 36 LYS HB2 1.0 1.905 4.357 1246 895 A 26 ALA HB% A 25 PHE HB2 1.0 1.971 5.055 1247 896 A 26 ALA HB% A 28 PHE HB2 1.0 1.921 4.493 1248 897 A 5 THR HG2% A 2 PRO HD2 1.0 1.772 3.526 1249 898 A 31 CYS HB2 A 36 LYS HB3 1.0 1.778 3.554 1250 899 A 31 CYS HB3 A 36 LYS HB3 1.0 1.911 4.399 1251 900 A 40 VAL HG1% A 11 TYR HB3 1.0 1.775 3.537 1252 901 A 40 VAL HG2% A 11 TYR HB3 1.0 1.847 3.943 1253 902 A 36 LYS HE3 A 36 LYS HB3 1.0 1.912 4.406 1254 903 A 36 LYS HE2 A 36 LYS HB3 1.0 1.924 4.510 1255 904 A 4 ASP HB2 A 30 THR HG2% 1.0 1.993 5.517 1256 905 A 37 THR HG2% A 38 CYS HB3 1.0 1.940 4.672 1257 906 A 40 VAL HG1% A 28 PHE HB3 1.0 1.807 3.705 1258 907 A 40 VAL HG2% A 28 PHE HB3 1.0 1.700 3.200 1259 908 A 40 VAL HG1% A 28 PHE HB2 1.0 1.842 3.910 1260 909 A 40 VAL HG2% A 28 PHE HB2 1.0 1.688 3.150 1261 910 A 22 PRO HG2 A 22 PRO HG3 1.0 1.522 2.568 1262 911 A 22 PRO HB2 A 22 PRO HB3 1.0 1.487 2.459 1263 912 A 35 GLN HB2 A 35 GLN HB3 1.0 1.525 2.577 1264 913 A 34 ARG HB3 A 34 ARG HB2 1.0 1.530 2.592 1265 914 A 22 PRO HB3 A 22 PRO HG3 1.0 1.781 3.573 1266 915 A 24 PRO HB3 A 24 PRO HB2 1.0 1.505 2.515 1267 916 A 34 ARG HG2 A 34 ARG HB3 1.0 1.927 4.549 1268 917 A 15 CYS HB2 A 36 LYS HB3 1.0 1.910 4.386 1269 918 A 35 GLN HB2 A 36 LYS HB3 1.0 2.000 6.000 1270 919 A 38 CYS HB2 A 37 THR HG2% 1.0 1.985 5.321 1271 920 A 34 ARG HB3 A 30 THR HG2% 1.0 1.862 4.038 1272 921 A 16 ILE HG2% A 39 CYS HB3 1.0 1.998 5.724 1273 922 A 16 ILE HD1% A 39 CYS HB3 1.0 1.999 6.217 1274 923 A 34 ARG HB3 A 34 ARG HG3 1.0 1.845 3.929 1275 924 A 3 ARG HB3 A 3 ARG HB2 1.0 1.367 2.131 1276 925 A 17 ARG HB3 A 17 ARG HB2 1.0 1.513 2.541 1277 926 A 34 ARG HG2 A 34 ARG HB2 1.0 1.858 4.010 1278 927 A 34 ARG HB2 A 34 ARG HG3 1.0 1.854 3.986 1279 928 A 19 LYS HB2 A 19 LYS HG2 1.0 1.774 3.536 1280 929 A 19 LYS HB2 A 19 LYS HG3 1.0 1.793 3.633 1281 930 A 5 THR HG2% A 9 VAL HB 1.0 1.963 4.945 1282 931 A 35 GLN HB3 A 36 LYS HB3 1.0 1.999 5.833 1283 932 A 34 ARG HB2 A 30 THR HG2% 1.0 1.742 3.386 1284 933 A 19 LYS HB2 A 37 THR HG2% 1.0 1.969 5.029 1285 934 A 36 LYS HB2 A 36 LYS HB3 1.0 1.581 2.755 1286 935 A 2 PRO HG3 A 2 PRO HG2 1.0 1.460 2.384 1287 936 A 1 LEU HG A 1 LEU HB2 1.0 0.000 6.000 1288 937 A 34 ARG HG2 A 34 ARG HG3 1.0 1.401 2.221 1289 938 A 27 ALA HB% A 37 THR HG2% 1.0 1.523 2.569 1290 939 A 16 ILE HB A 16 ILE HG13 1.0 1.926 4.538 1291 940 A 20 VAL HG1% A 20 VAL HB 1.0 1.452 2.360 1292 941 A 20 VAL HG2% A 20 VAL HB 1.0 1.480 2.442 1293 942 A 16 ILE HB A 16 ILE HD1% 1.0 1.686 3.142 1294 943 A 20 VAL HG2% A 19 LYS HB3 1.0 1.839 3.891 1295 944 A 9 VAL HG1% A 9 VAL HB 1.0 1.550 2.658 1296 945 A 9 VAL HB A 9 VAL HG2% 1.0 1.514 2.544 1297 946 A 16 ILE HD1% A 22 PRO HG3 1.0 1.958 4.886 1298 947 A 16 ILE HD1% A 22 PRO HG2 1.0 1.992 5.482 1299 948 A 16 ILE HG12 A 16 ILE HG13 1.0 1.571 2.725 1300 949 A 2 PRO HG3 A 2 PRO HB2 1.0 1.961 4.919 1301 950 A 2 PRO HB2 A 2 PRO HB3 1.0 1.726 3.312 1302 951 A 16 ILE HD1% A 16 ILE HG12 1.0 1.552 2.662 1303 952 A 16 ILE HG12 A 16 ILE HG2% 1.0 1.752 3.432 1304 953 A 26 ALA HB% A 40 VAL HG2% 1.0 1.843 3.913 1305 954 A 5 THR HG2% A 9 VAL HG1% 1.0 1.665 3.063 1306 955 A 16 ILE HD1% A 16 ILE HG13 1.0 1.467 2.403 1307 956 A 21 CYS H A 22 PRO HD2 1.0 1.973 6.965 1308 957 A 18 SER HB3 A 17 ARG H 1.0 1.992 6.528 1309 958 A 21 CYS H A 20 VAL HG2% 1.0 1.891 4.245 1310 959 A 10 GLY H A 5 THR HG2% 1.0 1.992 6.526 1311 960 A 20 VAL H A 18 SER HB2 1.0 1.979 6.827 1312 961 A 35 GLN H A 33 TRP HB3 1.0 1.992 5.530 1313 962 A 32 SER HB3 A 35 GLN H 1.0 1.993 6.463 1314 963 A 10 GLY H A 7 ARG HG3 1.0 1.946 7.378 1315 964 A 10 GLY H A 7 ARG HG2 1.0 1.976 6.902 1316 965 A 36 LYS H A 35 GLN HA 1.0 1.843 3.917 1317 966 A 28 PHE HD1 A 38 CYS HB2 1.0 1.948 7.340 1318 966 A 28 PHE HD2 A 38 CYS HB2 1.0 1.948 7.340 1319 967 A 13 GLY HA2 A 40 VAL HB 1.0 1.976 6.894 1320 968 A 31 CYS HB3 A 5 THR HG1 1.0 1.996 5.628 1321 969 A 5 THR HB A 5 THR HG1 1.0 1.980 5.214 1322 970 A 31 CYS HA A 5 THR HG1 1.0 1.950 7.318 1323 971 A 32 SER HB3 A 5 THR HG1 1.0 1.986 6.690 1324 972 A 31 CYS HB2 A 5 THR HG1 1.0 1.914 7.742 1325 973 A 2 PRO HG2 A 5 THR HG1 1.0 1.971 6.997 1326 974 A 5 THR HG2% A 5 THR HG1 1.0 1.924 4.514 1327 975 A 2 PRO HG3 A 5 THR HG1 1.0 1.992 6.524 1328 976 A 5 THR HA A 5 THR HG1 1.0 1.952 7.290 1329 977 A 25 PHE HE1 A 39 CYS HA 1.0 1.988 6.650 1330 977 A 25 PHE HE2 A 39 CYS HA 1.0 1.988 6.650 1331 978 A 37 THR H A 36 LYS HA 1.0 1.986 6.692 1332 979 A 18 SER H A 37 THR HG2% 1.0 1.994 6.446 1333 980 A 19 LYS H A 37 THR HG2% 1.0 1.991 6.539 1334 981 A 17 ARG H A 36 LYS HB3 1.0 0.000 6.000 1335 982 A 25 PHE H A 26 ALA HB% 1.0 1.992 6.502 1336 983 A 4 ASP HB2 A 30 THR H 1.0 1.980 6.820 1337 984 A 27 ALA H A 25 PHE HB2 1.0 1.975 6.923 1338 985 A 38 CYS HB2 A 30 THR H 1.0 1.906 7.828 1339 986 A 10 GLY H A 11 TYR HB3 1.0 1.985 6.689 1340 987 A 25 PHE HB3 A 27 ALA H 1.0 1.973 6.959 1341 988 A 39 CYS H A 40 VAL HA 1.0 1.954 7.254 1342 989 A 39 CYS H A 13 GLY HA3 1.0 1.976 6.900 1343 990 A 28 PHE HZ A 28 PHE HA 1.0 1.954 7.262 1344 991 A 3 ARG H A 3 ARG HA 1.0 1.933 4.605 1345 992 A 7 ARG H A 5 THR HB 1.0 1.975 6.909 1346 993 A 19 LYS H A 18 SER HB2 1.0 1.916 7.726 1347 994 A 23 LYS H A 22 PRO HD2 1.0 1.985 6.711 1348 995 A 25 PHE HE1 A 13 GLY HA2 1.0 1.983 6.755 1349 995 A 25 PHE HE2 A 13 GLY HA2 1.0 1.983 6.755 1350 996 A 11 TYR H A 12 HIS HB2 1.0 1.980 6.816 1351 997 A 33 TRP HB2 A 33 TRP HZ3 1.0 1.992 6.518 1352 998 A 7 ARG H A 4 ASP HB3 1.0 1.983 6.763 1353 999 A 25 PHE HE1 A 40 VAL HB 1.0 0.000 6.000 1354 999 A 25 PHE HE2 A 40 VAL HB 1.0 0.000 6.000 1355 1000 A 14 TYR H A 40 VAL HB 1.0 1.959 7.173 1356 1001 A 13 GLY H A 40 VAL HB 1.0 1.953 7.273 1357 1002 A 35 GLN H A 36 LYS HB2 1.0 1.986 6.676 1358 1003 A 31 CYS H A 34 ARG HB2 1.0 1.977 6.875 1359 1004 A 37 THR H A 16 ILE HB 1.0 1.965 7.089 1360 1005 A 33 TRP HE3 A 34 ARG HG3 1.0 1.998 6.236 1361 1006 A 30 THR H A 29 GLY HA2 1.0 1.998 5.800 1362 1007 A 5 THR H A 31 CYS HB2 1.0 1.998 6.240 1363 1008 A 2 PRO HG3 A 33 TRP H 1.0 1.900 7.894 1364 1009 A 33 TRP H A 2 PRO HB3 1.0 1.986 6.666 1365 1010 A 33 TRP HD1 A 33 TRP H 1.0 1.775 8.913 1366 1011 A 4 ASP H A 33 TRP H 1.0 1.860 8.262 1367 1012 A 40 VAL H A 14 TYR H 1.0 1.948 7.338 1368 1013 A 3 ARG HB3 A 33 TRP HE1 1.0 1.934 7.512 1369 1014 A 3 ARG HB2 A 33 TRP HE1 1.0 1.854 8.308 1370 1015 A 39 CYS H A 38 CYS HB3 1.0 1.989 5.433 1371 1016 A 39 CYS H A 14 TYR HB2 1.0 2.000 6.046 1372 1017 A 39 CYS H A 14 TYR HB3 1.0 1.986 6.680 1373 1018 A 40 VAL H A 14 TYR HE1 1.0 1.916 7.722 1374 1018 A 40 VAL H A 14 TYR HE2 1.0 1.916 7.722 1375 1019 A 40 VAL H A 14 TYR HD1 1.0 1.930 7.566 1376 1019 A 40 VAL H A 14 TYR HD2 1.0 1.930 7.566 1377 1020 A 26 ALA H A 28 PHE HB2 1.0 1.937 7.479 1378 1021 A 25 PHE H A 22 PRO HG3 1.0 1.901 7.883 1379 1022 A 17 ARG H A 36 LYS HE2 1.0 2.000 5.960 1380 1023 A 21 CYS H A 25 PHE HB2 1.0 1.957 7.211 1381 1024 A 37 THR HB A 17 ARG H 1.0 1.940 7.440 1382 1025 A 6 SER H A 4 ASP H 1.0 1.948 4.758 1383 1026 A 30 THR H A 30 THR HA 1.0 1.998 5.778 1384 1027 A 35 GLN H A 30 THR HA 1.0 0.000 6.000 1385 1028 A 14 TYR HE1 A 22 PRO HD2 1.0 1.909 7.801 1386 1028 A 14 TYR HE2 A 22 PRO HD2 1.0 1.909 7.801 1387 1029 A 14 TYR HE1 A 13 GLY HA2 1.0 1.900 7.890 1388 1029 A 14 TYR HE2 A 13 GLY HA2 1.0 1.900 7.890 1389 1030 A 15 CYS HA A 37 THR HA 1.0 1.978 6.856 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 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 16 ILE H A 37 THR O 1.0 1.730 2.700 2 2 A 14 TYR H A 39 CYS O 1.0 1.730 2.700 3 3 A 39 CYS H A 14 TYR O 1.0 1.730 2.700 4 4 A 37 THR H A 16 ILE O 1.0 1.730 2.700 5 5 A 38 CYS H A 28 PHE O 1.0 1.730 2.700 6 6 A 28 PHE H A 38 CYS O 1.0 1.730 2.700 7 7 A 28 PHE O A 38 CYS N 1.0 2.516 3.927 8 8 A 16 ILE O A 37 THR N 1.0 2.516 3.927 9 9 A 38 CYS O A 28 PHE N 1.0 2.516 3.927 10 10 A 37 THR O A 16 ILE N 1.0 2.516 3.927 11 11 A 14 TYR O A 39 CYS N 1.0 2.516 3.927 12 12 A 39 CYS O A 14 TYR N 1.0 2.516 3.927 13 13 A 40 VAL H A 26 ALA O 1.0 1.730 2.700 14 14 A 26 ALA H A 40 VAL O 1.0 1.730 2.700 15 15 A 26 ALA O A 40 VAL N 1.0 2.516 3.927 16 16 A 40 VAL O A 26 ALA N 1.0 2.516 3.927 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _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 2 PRO C A 3 ARG N A 3 ARG CA A 3 ARG C 1.0 -160.0 4.16 PHI 2 2 A 3 ARG C A 4 ASP N A 4 ASP CA A 4 ASP C 1.0 -130.0 -12.66 PHI 3 3 A 4 ASP N A 4 ASP CA A 4 ASP C A 5 THR N 1.0 -50.0 21.84 PSI 4 4 A 4 ASP C A 5 THR N A 5 THR CA A 5 THR C 1.0 -100.0 -26.24 PHI 5 5 A 5 THR N A 5 THR CA A 5 THR C A 6 SER N 1.0 -70.0 -2.74 PSI 6 6 A 6 SER C A 7 ARG N A 7 ARG CA A 7 ARG C 1.0 -110.0 -25.34 PHI 7 7 A 7 ARG N A 7 ARG CA A 7 ARG C A 8 CYS N 1.0 -50.0 0.50 PSI 8 8 A 7 ARG C A 8 CYS N A 8 CYS CA A 8 CYS C 1.0 -120.0 -33.36 PHI 9 9 A 8 CYS N A 8 CYS CA A 8 CYS C A 9 VAL N 1.0 -40.0 28.38 PSI 10 10 A 8 CYS C A 9 VAL N A 9 VAL CA A 9 VAL C 1.0 -130.0 -26.58 PHI 11 11 A 9 VAL N A 9 VAL CA A 9 VAL C A 10 GLY N 1.0 -40.0 17.26 PSI 12 12 A 10 GLY C A 11 TYR N A 11 TYR CA A 11 TYR C 1.0 -180.0 -4.18 PHI 13 13 A 11 TYR C A 12 HIS N A 12 HIS CA A 12 HIS C 1.0 -180.0 -128.98 PHI 14 14 A 12 HIS N A 12 HIS CA A 12 HIS C A 13 GLY N 1.0 110.0 201.22 PSI 15 15 A 13 GLY C A 14 TYR N A 14 TYR CA A 14 TYR C 1.0 -180.0 -78.36 PHI 16 16 A 14 TYR N A 14 TYR CA A 14 TYR C A 15 CYS N 1.0 100.0 202.30 PSI 17 17 A 14 TYR C A 15 CYS N A 15 CYS CA A 15 CYS C 1.0 -180.0 -38.74 PHI 18 18 A 15 CYS N A 15 CYS CA A 15 CYS C A 16 ILE N 1.0 90.0 195.16 PSI 19 19 A 15 CYS C A 16 ILE N A 16 ILE CA A 16 ILE C 1.0 -160.0 -86.06 PHI 20 20 A 16 ILE N A 16 ILE CA A 16 ILE C A 17 ARG N 1.0 100.0 192.00 PSI 21 21 A 16 ILE C A 17 ARG N A 17 ARG CA A 17 ARG C 1.0 -180.0 -59.14 PHI 22 22 A 17 ARG N A 17 ARG CA A 17 ARG C A 18 SER N 1.0 90.0 163.86 PSI 23 23 A 17 ARG C A 18 SER N A 18 SER CA A 18 SER C 1.0 -180.0 -110.04 PHI 24 24 A 18 SER N A 18 SER CA A 18 SER C A 19 LYS N 1.0 110.0 193.08 PSI 25 25 A 18 SER C A 19 LYS N A 19 LYS CA A 19 LYS C 1.0 -180.0 -87.18 PHI 26 26 A 19 LYS C A 20 VAL N A 20 VAL CA A 20 VAL C 1.0 -150.0 -91.62 PHI 27 27 A 20 VAL N A 20 VAL CA A 20 VAL C A 21 CYS N 1.0 100.0 174.90 PSI 28 28 A 20 VAL C A 21 CYS N A 21 CYS CA A 21 CYS C 1.0 -150.0 -66.94 PHI 29 29 A 21 CYS N A 21 CYS CA A 21 CYS C A 22 PRO N 1.0 90.0 167.22 PSI 30 30 A 21 CYS C A 22 PRO N A 22 PRO CA A 22 PRO C 1.0 -110.0 -39.76 PHI 31 31 A 22 PRO N A 22 PRO CA A 22 PRO C A 23 LYS N 1.0 120.0 190.08 PSI 32 32 A 22 PRO C A 23 LYS N A 23 LYS CA A 23 LYS C 1.0 -170.0 -60.68 PHI 33 33 A 23 LYS N A 23 LYS CA A 23 LYS C A 24 PRO N 1.0 90.0 186.16 PSI 34 34 A 23 LYS C A 24 PRO N A 24 PRO CA A 24 PRO C 1.0 -90.0 -40.06 PHI 35 35 A 24 PRO N A 24 PRO CA A 24 PRO C A 25 PHE N 1.0 120.0 170.00 PSI 36 36 A 24 PRO C A 25 PHE N A 25 PHE CA A 25 PHE C 1.0 -170.0 -40.50 PHI 37 37 A 25 PHE N A 25 PHE CA A 25 PHE C A 26 ALA N 1.0 90.0 170.94 PSI 38 38 A 25 PHE C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -160.0 -82.82 PHI 39 39 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 ALA N 1.0 100.0 173.46 PSI 40 40 A 26 ALA C A 27 ALA N A 27 ALA CA A 27 ALA C 1.0 -140.0 -68.40 PHI 41 41 A 27 ALA N A 27 ALA CA A 27 ALA C A 28 PHE N 1.0 90.0 155.30 PSI 42 42 A 27 ALA C A 28 PHE N A 28 PHE CA A 28 PHE C 1.0 -150.0 -61.94 PHI 43 43 A 28 PHE N A 28 PHE CA A 28 PHE C A 29 GLY N 1.0 90.0 181.08 PSI 44 44 A 29 GLY C A 30 THR N A 30 THR CA A 30 THR C 1.0 -180.0 -102.04 PHI 45 45 A 30 THR N A 30 THR CA A 30 THR C A 31 CYS N 1.0 110.0 198.42 PSI 46 46 A 30 THR C A 31 CYS N A 31 CYS CA A 31 CYS C 1.0 -180.0 -89.36 PHI 47 47 A 31 CYS N A 31 CYS CA A 31 CYS C A 32 SER N 1.0 120.0 192.92 PSI 48 48 A 31 CYS C A 32 SER N A 32 SER CA A 32 SER C 1.0 -110.0 -24.64 PHI 49 49 A 32 SER N A 32 SER CA A 32 SER C A 33 TRP N 1.0 110.0 181.04 PSI 50 50 A 33 TRP C A 34 ARG N A 34 ARG CA A 34 ARG C 1.0 -130.0 -27.32 PHI 51 51 A 34 ARG N A 34 ARG CA A 34 ARG C A 35 GLN N 1.0 -50.0 24.86 PSI 52 52 A 35 GLN C A 36 LYS N A 36 LYS CA A 36 LYS C 1.0 -180.0 -25.64 PHI 53 53 A 36 LYS N A 36 LYS CA A 36 LYS C A 37 THR N 1.0 90.0 198.76 PSI 54 54 A 36 LYS C A 37 THR N A 37 THR CA A 37 THR C 1.0 -100.0 -47.14 PHI 55 55 A 37 THR N A 37 THR CA A 37 THR C A 38 CYS N 1.0 100.0 173.00 PSI 56 56 A 37 THR C A 38 CYS N A 38 CYS CA A 38 CYS C 1.0 -120.0 -25.86 PHI 57 57 A 38 CYS N A 38 CYS CA A 38 CYS C A 39 CYS N 1.0 100.0 180.14 PSI stop_ save_