data_nef_c30180_5tce save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5TCE 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 34 GLY C 1 35 NH2 N stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 ASP middle . . 3 A 3 GLU middle . . 4 A 4 ARG middle . . 5 A 5 PHE middle . . 6 A 6 TYR middle . . 7 A 7 ALA middle . . 8 A 8 GLU middle . . 9 A 9 HIS middle . . 10 A 10 LEU middle . . 11 A 11 MET middle . . 12 A 12 PRO middle . false 13 A 13 THR middle . . 14 A 14 LEU middle . . 15 A 15 GLN middle . . 16 A 16 GLY middle . false 17 A 17 LEU middle . . 18 A 18 LEU middle . . 19 A 19 ASP middle . . 20 A 20 PRO middle . false 21 A 21 GLU middle . . 22 A 22 SER middle . . 23 A 23 ALA middle . . 24 A 24 HIS middle . . 25 A 25 ARG middle . . 26 A 26 LEU middle . . 27 A 27 ALA middle . . 28 A 28 VAL middle . . 29 A 29 ARG middle . . 30 A 30 PHE middle . . 31 A 31 THR middle . . 32 A 32 SER middle . . 33 A 33 LEU middle . . 34 A 34 GLY middle -OXT false 35 A 35 NH2 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 GLY H1 H 1 8.266 0.002 A 1 GLY HAx H 1 3.917 0.002 A 1 GLY HAy H 1 3.917 0.002 A 1 GLY CA C 13 44.939 0.400 A 1 GLY N N 15 114.838 0.400 A 2 ASP H H 1 8.266 0.002 A 2 ASP HA H 1 4.678 0.002 A 2 ASP HBx H 1 2.818 0.002 A 2 ASP HBy H 1 2.909 0.002 A 2 ASP N N 15 120.518 0.400 A 3 GLU H H 1 8.711 0.002 A 3 GLU HA H 1 4.139 0.002 A 3 GLU HBx H 1 2.154 0.002 A 3 GLU HBy H 1 2.154 0.002 A 3 GLU HGy H 1 2.518 0.002 A 3 GLU HGx H 1 2.436 0.002 A 3 GLU CA C 13 59.230 0.400 A 3 GLU N N 15 120.970 0.400 A 4 ARG H H 1 8.213 0.001 A 4 ARG HA H 1 4.006 0.002 A 4 ARG HBx H 1 1.830 0.002 A 4 ARG HBy H 1 1.830 0.002 A 4 ARG HDx H 1 3.199 0.002 A 4 ARG HDy H 1 3.199 0.002 A 4 ARG HE H 1 7.463 0.002 A 4 ARG HGx H 1 1.598 0.001 A 4 ARG HGy H 1 1.598 0.002 A 4 ARG CA C 13 58.807 0.400 A 4 ARG N N 15 119.939 0.400 A 5 PHE H H 1 7.954 0.002 A 5 PHE HA H 1 4.283 0.002 A 5 PHE HBx H 1 3.023 0.002 A 5 PHE HBy H 1 3.181 0.002 A 5 PHE HDx H 1 6.877 0.002 A 5 PHE HDy H 1 6.877 0.002 A 5 PHE HEx H 1 7.126 0.002 A 5 PHE HEy H 1 7.126 0.002 A 5 PHE HZ H 1 7.080 0.002 A 5 PHE CA C 13 60.772 0.400 A 5 PHE N N 15 120.140 0.400 A 6 TYR H H 1 8.071 0.002 A 6 TYR HA H 1 4.136 0.001 A 6 TYR HBx H 1 3.039 0.002 A 6 TYR HBy H 1 3.039 0.002 A 6 TYR HDx H 1 7.113 0.002 A 6 TYR HDy H 1 7.113 0.002 A 6 TYR HEy H 1 6.834 0.002 A 6 TYR HEx H 1 6.824 0.002 A 6 TYR CB C 13 38.361 0.400 A 6 TYR N N 15 119.497 0.400 A 7 ALA H H 1 8.337 0.002 A 7 ALA HA H 1 3.994 0.002 A 7 ALA HB% H 1 1.497 0.003 A 7 ALA CA C 13 55.242 0.400 A 7 ALA CB C 13 18.393 0.400 A 7 ALA N N 15 122.096 0.400 A 8 GLU H H 1 8.178 0.002 A 8 GLU HA H 1 4.025 0.002 A 8 GLU HBx H 1 1.884 0.002 A 8 GLU HBy H 1 2.009 0.002 A 8 GLU HGx H 1 2.347 0.002 A 8 GLU HGy H 1 2.431 0.002 A 8 GLU CA C 13 57.888 0.400 A 8 GLU N N 15 122.008 0.400 A 9 HIS H H 1 7.734 0.002 A 9 HIS HA H 1 4.502 0.002 A 9 HIS HBy H 1 3.174 0.002 A 9 HIS HBx H 1 2.818 0.001 A 9 HIS HD2 H 1 6.997 0.002 A 9 HIS CA C 13 56.857 0.400 A 9 HIS CB C 13 29.029 0.400 A 9 HIS N N 15 114.759 0.400 A 10 LEU H H 1 7.964 0.002 A 10 LEU HA H 1 4.311 0.002 A 10 LEU HBy H 1 1.794 0.001 A 10 LEU HBx H 1 1.736 0.002 A 10 LEU HDx% H 1 0.938 0.002 A 10 LEU HDy% H 1 0.904 0.002 A 10 LEU HG H 1 1.650 0.001 A 10 LEU CA C 13 56.829 0.400 A 10 LEU CB C 13 42.213 0.002 A 10 LEU N N 15 121.211 0.400 A 11 MET H H 1 8.223 0.002 A 11 MET HA H 1 4.368 0.002 A 11 MET HBx H 1 2.141 0.002 A 11 MET HBy H 1 2.141 0.002 A 11 MET HGy H 1 2.653 0.002 A 11 MET HGx H 1 2.567 0.002 A 11 MET CA C 13 59.330 0.400 A 11 MET N N 15 119.050 0.400 A 12 PRO HA H 1 4.374 0.002 A 12 PRO HBy H 1 2.323 0.002 A 12 PRO HBx H 1 1.845 0.002 A 12 PRO HDy H 1 3.647 0.002 A 12 PRO HDx H 1 3.452 0.002 A 12 PRO HGx H 1 1.924 0.002 A 12 PRO HGy H 1 2.046 0.002 A 12 PRO CB C 13 31.217 0.400 A 13 THR H H 1 7.340 0.002 A 13 THR HA H 1 4.030 0.002 A 13 THR HB H 1 4.248 0.002 A 13 THR HG2% H 1 1.218 0.002 A 13 THR CA C 13 65.373 0.400 A 13 THR CB C 13 68.959 0.400 A 13 THR N N 15 114.709 0.400 A 14 LEU H H 1 7.983 0.002 A 14 LEU HA H 1 4.061 0.002 A 14 LEU HBy H 1 1.850 0.002 A 14 LEU HBx H 1 1.555 0.002 A 14 LEU HDx% H 1 0.817 0.002 A 14 LEU HDy% H 1 0.878 0.002 A 14 LEU HG H 1 1.794 0.001 A 14 LEU CA C 13 57.263 0.400 A 14 LEU CB C 13 42.321 0.400 A 14 LEU N N 15 121.542 0.400 A 15 GLN H H 1 8.311 0.002 A 15 GLN HA H 1 3.950 0.002 A 15 GLN HBx H 1 2.099 0.002 A 15 GLN HBy H 1 2.099 0.002 A 15 GLN HE2y H 1 7.383 0.002 A 15 GLN HE2x H 1 6.730 0.002 A 15 GLN HGx H 1 2.360 0.002 A 15 GLN HGy H 1 2.412 0.002 A 15 GLN CA C 13 58.658 0.400 A 15 GLN N N 15 117.477 0.400 A 16 GLY H H 1 7.847 0.002 A 16 GLY HAx H 1 3.886 0.002 A 16 GLY HAy H 1 4.051 0.002 A 16 GLY CA C 13 45.624 0.400 A 16 GLY N N 15 106.387 0.400 A 17 LEU H H 1 7.574 0.002 A 17 LEU HA H 1 4.294 0.002 A 17 LEU HBx H 1 1.568 0.001 A 17 LEU HBy H 1 1.850 0.001 A 17 LEU HDx% H 1 0.875 0.002 A 17 LEU HDy% H 1 0.875 0.002 A 17 LEU HG H 1 1.850 0.002 A 17 LEU CA C 13 55.945 0.400 A 17 LEU N N 15 120.326 0.400 A 18 LEU H H 1 7.444 0.002 A 18 LEU HA H 1 4.495 0.002 A 18 LEU HBx H 1 1.563 0.002 A 18 LEU HBy H 1 1.712 0.002 A 18 LEU HDx% H 1 0.838 0.002 A 18 LEU HDy% H 1 0.838 0.002 A 18 LEU HG H 1 1.631 0.002 A 18 LEU CA C 13 53.507 0.400 A 18 LEU N N 15 116.872 0.400 A 19 ASP H H 1 8.186 0.002 A 19 ASP HA H 1 4.873 0.002 A 19 ASP HBx H 1 2.874 0.002 A 19 ASP HBy H 1 2.971 0.002 A 19 ASP CA C 13 51.952 0.400 A 19 ASP CB C 13 37.672 0.400 A 19 ASP N N 15 114.964 0.400 A 20 PRO HA H 1 4.246 0.002 A 20 PRO HBy H 1 2.404 0.002 A 20 PRO HBx H 1 1.993 0.002 A 20 PRO HDy H 1 3.948 0.002 A 20 PRO HDx H 1 3.880 0.002 A 20 PRO HGx H 1 2.049 0.002 A 20 PRO HGy H 1 2.211 0.002 A 20 PRO CB C 13 32.515 0.400 A 21 GLU H H 1 8.442 0.002 A 21 GLU HA H 1 4.279 0.002 A 21 GLU HBx H 1 2.154 0.002 A 21 GLU HBy H 1 2.154 0.002 A 21 GLU HGx H 1 2.466 0.001 A 21 GLU HGy H 1 2.466 0.002 A 21 GLU CA C 13 58.785 0.400 A 21 GLU N N 15 118.402 0.400 A 22 SER H H 1 8.221 0.002 A 22 SER HA H 1 4.219 0.002 A 22 SER HBx H 1 3.877 0.002 A 22 SER HBy H 1 4.052 0.002 A 22 SER CA C 13 63.128 0.400 A 22 SER CB C 13 61.523 0.400 A 22 SER N N 15 118.854 0.400 A 23 ALA H H 1 8.374 0.002 A 23 ALA HA H 1 3.987 0.002 A 23 ALA HB% H 1 1.448 0.002 A 23 ALA CA C 13 55.227 0.400 A 23 ALA CB C 13 18.687 0.400 A 23 ALA N N 15 124.022 0.400 A 24 HIS H H 1 8.372 0.002 A 24 HIS HA H 1 4.388 0.002 A 24 HIS HBx H 1 3.389 0.002 A 24 HIS HBy H 1 3.389 0.002 A 24 HIS HD2 H 1 7.291 0.002 A 24 HIS CA C 13 58.768 0.400 A 24 HIS CB C 13 28.304 0.400 A 24 HIS N N 15 116.388 0.400 A 25 ARG H H 1 8.065 0.003 A 25 ARG HA H 1 3.914 0.002 A 25 ARG HBy H 1 2.014 0.002 A 25 ARG HBx H 1 1.919 0.002 A 25 ARG HDx H 1 3.248 0.002 A 25 ARG HDy H 1 3.248 0.002 A 25 ARG HE H 1 7.538 0.002 A 25 ARG HGx H 1 1.657 0.002 A 25 ARG HGy H 1 1.657 0.002 A 25 ARG CA C 13 59.291 0.400 A 25 ARG CB C 13 30.500 0.002 A 25 ARG N N 15 119.004 0.400 A 26 LEU H H 1 8.014 0.002 A 26 LEU HA H 1 4.042 0.002 A 26 LEU HBy H 1 1.857 0.002 A 26 LEU HBx H 1 1.610 0.002 A 26 LEU HDx% H 1 0.899 0.002 A 26 LEU HDy% H 1 0.899 0.002 A 26 LEU HG H 1 1.790 0.002 A 26 LEU CA C 13 57.779 0.400 A 26 LEU CB C 13 43.493 0.400 A 26 LEU N N 15 120.401 0.400 A 27 ALA H H 1 8.114 0.002 A 27 ALA HA H 1 4.016 0.002 A 27 ALA HB% H 1 1.518 0.002 A 27 ALA CA C 13 55.329 0.400 A 27 ALA CB C 13 18.998 0.002 A 27 ALA N N 15 121.978 0.400 A 28 VAL H H 1 7.912 0.002 A 28 VAL HA H 1 3.750 0.002 A 28 VAL HB H 1 2.029 0.002 A 28 VAL HGx% H 1 0.859 0.002 A 28 VAL HGy% H 1 0.818 0.002 A 28 VAL CA C 13 61.656 0.400 A 28 VAL CB C 13 32.038 0.400 A 28 VAL N N 15 117.235 0.400 A 29 ARG H H 1 7.736 0.002 A 29 ARG HA H 1 4.106 0.002 A 29 ARG HBy H 1 1.880 0.002 A 29 ARG HBx H 1 1.772 0.002 A 29 ARG HDx H 1 3.041 0.002 A 29 ARG HDy H 1 3.127 0.002 A 29 ARG HE H 1 7.542 0.002 A 29 ARG HGx H 1 1.493 0.002 A 29 ARG HGy H 1 1.493 0.002 A 29 ARG CA C 13 57.824 0.400 A 29 ARG CB C 13 30.142 0.400 A 29 ARG N N 15 121.156 0.400 A 30 PHE H H 1 8.279 0.002 A 30 PHE HA H 1 4.466 0.002 A 30 PHE HBy H 1 3.271 0.002 A 30 PHE HBx H 1 3.054 0.002 A 30 PHE HDx H 1 7.228 0.002 A 30 PHE HDy H 1 7.228 0.002 A 30 PHE HEx H 1 7.239 0.002 A 30 PHE HEy H 1 7.239 0.002 A 30 PHE HZ H 1 7.183 0.002 A 30 PHE CA C 13 59.783 0.400 A 30 PHE CB C 13 39.756 0.400 A 30 PHE N N 15 118.167 0.400 A 31 THR H H 1 8.048 0.002 A 31 THR HA H 1 4.161 0.002 A 31 THR HB H 1 4.356 0.002 A 31 THR HG2% H 1 1.331 0.002 A 31 THR CA C 13 64.446 0.400 A 31 THR CB C 13 69.594 0.400 A 31 THR N N 15 112.576 0.002 A 32 SER H H 1 8.091 0.002 A 32 SER HA H 1 4.402 0.002 A 32 SER HBx H 1 3.964 0.002 A 32 SER HBy H 1 3.964 0.002 A 32 SER CA C 13 62.647 0.400 A 32 SER CB C 13 63.672 0.400 A 32 SER N N 15 117.477 0.400 A 33 LEU H H 1 7.719 0.002 A 33 LEU HA H 1 3.835 0.002 A 33 LEU HBx H 1 1.544 0.002 A 33 LEU HBy H 1 1.774 0.002 A 33 LEU HDx% H 1 0.896 0.002 A 33 LEU HDy% H 1 0.868 0.002 A 33 LEU HG H 1 1.774 0.002 A 33 LEU CA C 13 55.889 0.400 A 33 LEU CB C 13 42.630 0.400 A 33 LEU N N 15 122.798 0.400 A 34 GLY H H 1 8.051 0.002 A 34 GLY HAx H 1 3.835 0.002 A 34 GLY HAy H 1 3.835 0.002 A 34 GLY CA C 13 45.625 0.400 A 34 GLY N N 15 107.736 0.400 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 1 GLY H1 A 1 GLY HAx 1.0 . 3.20 2 1 A 1 GLY HAy A 1 GLY H1 1.0 . 3.20 3 2 A 2 ASP H A 1 GLY HAx 1.0 . 3.52 4 2 A 1 GLY HAy A 2 ASP H 1.0 . 3.52 5 3 A 3 GLU H A 1 GLY HAx 1.0 . 4.41 6 3 A 1 GLY HAy A 3 GLU H 1.0 . 4.41 7 4 A 4 ARG H A 1 GLY HAx 1.0 . 3.76 8 4 A 1 GLY HAy A 4 ARG H 1.0 . 3.76 9 5 A 5 PHE H A 1 GLY HAx 1.0 . 4.23 10 5 A 1 GLY HAy A 5 PHE H 1.0 . 4.23 11 6 A 5 PHE HD% A 1 GLY HAx 1.0 . 5.50 12 6 A 1 GLY HAy A 5 PHE HD% 1.0 . 5.50 13 7 A 6 TYR HEy A 1 GLY HAx 1.0 . 5.50 14 7 A 1 GLY HAy A 6 TYR HEy 1.0 . 5.50 15 8 A 2 ASP H A 2 ASP HA 1.0 . 2.87 16 9 A 2 ASP H A 2 ASP HBy 1.0 . 3.82 17 10 A 2 ASP H A 2 ASP HBx 1.0 . 3.75 18 11 A 2 ASP HA A 2 ASP HBy 1.0 . 3.10 19 12 A 2 ASP HA A 2 ASP HBx 1.0 . 3.25 20 13 A 2 ASP H A 3 GLU H 1.0 . 3.87 21 14 A 2 ASP H A 3 GLU HA 1.0 . 5.00 22 15 A 2 ASP H A 3 GLU HBx 1.0 . 5.50 23 15 A 2 ASP H A 3 GLU HBy 1.0 . 5.50 24 16 A 3 GLU H A 2 ASP HA 1.0 . 3.51 25 17 A 3 GLU H A 2 ASP HBy 1.0 . 5.00 26 18 A 3 GLU H A 2 ASP HBx 1.0 . 5.00 27 19 A 2 ASP H A 4 ARG H 1.0 . 5.00 28 20 A 4 ARG H A 2 ASP HA 1.0 . 4.45 29 21 A 2 ASP H A 5 PHE H 1.0 . 5.00 30 22 A 2 ASP H A 5 PHE HA 1.0 . 5.50 31 23 A 2 ASP HA A 5 PHE HBy 1.0 . 3.54 32 23 A 2 ASP HA A 5 PHE HBx 1.0 . 3.54 33 24 A 5 PHE H A 2 ASP HA 1.0 . 3.73 34 25 A 2 ASP H A 6 TYR H 1.0 . 5.00 35 26 A 3 GLU H A 3 GLU HA 1.0 . 2.74 36 27 A 3 GLU H A 3 GLU HGy 1.0 . 3.50 37 28 A 3 GLU H A 3 GLU HGx 1.0 . 3.50 38 29 A 3 GLU H A 3 GLU HA 1.0 . 2.74 39 30 A 3 GLU HA A 3 GLU HBx 1.0 . 3.12 40 30 A 3 GLU HA A 3 GLU HBy 1.0 . 3.12 41 31 A 3 GLU HA A 3 GLU HGy 1.0 . 3.23 42 32 A 3 GLU HA A 3 GLU HGx 1.0 . 3.23 43 33 A 3 GLU H A 4 ARG H 1.0 . 3.66 44 34 A 3 GLU H A 4 ARG HA 1.0 . 5.00 45 35 A 3 GLU H A 4 ARG HBx 1.0 . 5.00 46 35 A 3 GLU H A 4 ARG HBy 1.0 . 5.00 47 36 A 4 ARG H A 3 GLU HA 1.0 . 3.83 48 37 A 3 GLU H A 5 PHE H 1.0 . 5.00 49 38 A 5 PHE H A 3 GLU HA 1.0 . 4.09 50 39 A 3 GLU H A 6 TYR H 1.0 . 5.00 51 40 A 3 GLU HA A 6 TYR H 1.0 . 3.63 52 41 A 3 GLU HA A 7 ALA H 1.0 . 3.88 53 42 A 4 ARG H A 4 ARG HA 1.0 . 3.29 54 43 A 4 ARG H A 4 ARG HE 1.0 . 5.00 55 44 A 4 ARG H A 4 ARG HA 1.0 . 3.29 56 45 A 4 ARG HA A 4 ARG HE 1.0 . 5.00 57 46 A 4 ARG HA A 4 ARG HGx 1.0 . 3.89 58 46 A 4 ARG HA A 4 ARG HGy 1.0 . 3.89 59 47 A 4 ARG HA A 4 ARG HBx 1.0 . 2.62 60 47 A 4 ARG HA A 4 ARG HBy 1.0 . 2.62 61 48 A 4 ARG HA A 4 ARG HE 1.0 . 5.00 62 49 A 4 ARG HBx A 4 ARG HDx 1.0 . 3.57 63 49 A 4 ARG HBy A 4 ARG HDx 1.0 . 3.57 64 49 A 4 ARG HDy A 4 ARG HBx 1.0 . 3.57 65 49 A 4 ARG HBy A 4 ARG HDy 1.0 . 3.57 66 50 A 4 ARG HDx A 4 ARG HGx 1.0 . 3.14 67 50 A 4 ARG HDy A 4 ARG HGx 1.0 . 3.14 68 50 A 4 ARG HGy A 4 ARG HDx 1.0 . 3.14 69 50 A 4 ARG HGy A 4 ARG HDy 1.0 . 3.14 70 51 A 4 ARG H A 5 PHE H 1.0 . 3.32 71 52 A 4 ARG HA A 5 PHE HBy 1.0 . 5.92 72 52 A 5 PHE HBx A 4 ARG HA 1.0 . 5.92 73 53 A 5 PHE H A 4 ARG HA 1.0 . 3.65 74 54 A 4 ARG H A 6 TYR H 1.0 . 4.50 75 55 A 6 TYR H A 4 ARG HA 1.0 . 4.56 76 56 A 4 ARG HA A 7 ALA H 1.0 . 4.16 77 57 A 5 PHE H A 5 PHE HA 1.0 . 3.42 78 58 A 5 PHE H A 5 PHE HD% 1.0 . 5.00 79 59 A 5 PHE H A 5 PHE HE% 1.0 . 5.30 80 60 A 5 PHE HA A 5 PHE HBx 1.0 . 4.20 81 61 A 5 PHE HA A 5 PHE HBy 1.0 . 3.78 82 62 A 5 PHE HA A 5 PHE HZ 1.0 . 5.70 83 63 A 5 PHE H A 6 TYR H 1.0 . 3.70 84 64 A 5 PHE HA A 6 TYR H 1.0 . 3.70 85 65 A 5 PHE HA A 7 ALA HB% 1.0 . 5.80 86 66 A 5 PHE HA A 7 ALA H 1.0 . 5.00 87 67 A 5 PHE H A 8 GLU H 1.0 . 3.75 88 68 A 5 PHE HA A 8 GLU H 1.0 . 3.91 89 69 A 5 PHE H A 9 HIS H 1.0 . 4.62 90 70 A 5 PHE HA A 9 HIS H 1.0 . 4.23 91 71 A 6 TYR H A 6 TYR HA 1.0 . 3.43 92 72 A 6 TYR HEy A 6 TYR HA 1.0 . 4.39 93 73 A 6 TYR HA A 6 TYR HBx 1.0 . 2.75 94 73 A 6 TYR HA A 6 TYR HBy 1.0 . 2.75 95 74 A 6 TYR HEy A 6 TYR HA 1.0 . 4.39 96 75 A 6 TYR H A 7 ALA H 1.0 . 3.71 97 76 A 7 ALA H A 6 TYR HA 1.0 . 3.92 98 77 A 6 TYR H A 8 GLU H 1.0 . 4.74 99 78 A 8 GLU H A 6 TYR HA 1.0 . 4.54 100 79 A 6 TYR HA A 9 HIS HBy 1.0 . 4.88 101 79 A 6 TYR HA A 9 HIS HBx 1.0 . 4.88 102 80 A 9 HIS H A 6 TYR HA 1.0 . 4.54 103 81 A 6 TYR HA A 10 LEU H 1.0 . 4.76 104 82 A 7 ALA H A 7 ALA HA 1.0 . 3.59 105 83 A 7 ALA H A 7 ALA HA 1.0 . 3.59 106 84 A 7 ALA HB% A 7 ALA HA 1.0 . 3.41 107 85 A 7 ALA H A 8 GLU H 1.0 . 3.60 108 86 A 7 ALA H A 8 GLU H 1.0 . 3.60 109 87 A 8 GLU H A 7 ALA HA 1.0 . 3.57 110 88 A 8 GLU H A 7 ALA HA 1.0 . 3.57 111 89 A 7 ALA H A 9 HIS H 1.0 . 5.00 112 90 A 9 HIS H A 7 ALA HA 1.0 . 4.29 113 91 A 7 ALA H A 10 LEU H 1.0 . 4.47 114 92 A 10 LEU H A 7 ALA HA 1.0 . 3.72 115 93 A 7 ALA HA A 10 LEU HDx% 1.0 . 4.94 116 94 A 7 ALA HA A 10 LEU HBy 1.0 . 3.99 117 94 A 7 ALA HA A 10 LEU HBx 1.0 . 3.99 118 95 A 7 ALA HA A 11 MET H 1.0 . 4.87 119 96 A 8 GLU H A 8 GLU HA 1.0 . 3.33 120 97 A 8 GLU HA A 8 GLU HGx 1.0 . 4.21 121 97 A 8 GLU HA A 8 GLU HGy 1.0 . 4.21 122 98 A 8 GLU H A 9 HIS H 1.0 . 3.81 123 99 A 9 HIS H A 8 GLU HA 1.0 . 3.39 124 100 A 8 GLU H A 10 LEU H 1.0 . 4.27 125 101 A 10 LEU H A 8 GLU HA 1.0 . 3.89 126 102 A 11 MET H A 8 GLU HA 1.0 . 4.65 127 103 A 8 GLU HA A 11 MET HBx 1.0 . 4.01 128 103 A 8 GLU HA A 11 MET HBy 1.0 . 4.01 129 104 A 9 HIS H A 9 HIS HA 1.0 . 3.85 130 105 A 9 HIS HA A 9 HIS HBy 1.0 . 3.46 131 105 A 9 HIS HBx A 9 HIS HA 1.0 . 3.46 132 106 A 9 HIS H A 10 LEU H 1.0 . 3.61 133 107 A 9 HIS H A 10 LEU HA 1.0 . 4.52 134 108 A 10 LEU H A 9 HIS HA 1.0 . 4.04 135 109 A 9 HIS H A 11 MET H 1.0 . 5.00 136 110 A 11 MET H A 9 HIS HA 1.0 . 4.79 137 111 A 9 HIS H A 12 PRO HDy 1.0 . 5.00 138 112 A 9 HIS H A 12 PRO HDx 1.0 . 5.00 139 113 A 9 HIS HA A 13 THR H 1.0 . 5.00 140 114 A 10 LEU H A 10 LEU HA 1.0 . 3.52 141 115 A 10 LEU HDx% A 10 LEU HA 1.0 . 4.22 142 116 A 10 LEU HA A 10 LEU HG 1.0 . 3.71 143 117 A 10 LEU HA A 10 LEU HBy 1.0 . 3.52 144 117 A 10 LEU HBx A 10 LEU HA 1.0 . 3.52 145 118 A 10 LEU HA A 10 LEU HDy% 1.0 . 3.21 146 119 A 10 LEU H A 11 MET H 1.0 . 3.38 147 120 A 11 MET H A 10 LEU HA 1.0 . 3.56 148 121 A 10 LEU H A 12 PRO HDx 1.0 . 5.00 149 122 A 10 LEU H A 12 PRO HDy 1.0 . 4.81 150 123 A 10 LEU H A 13 THR H 1.0 . 3.79 151 124 A 10 LEU HA A 13 THR H 1.0 . 3.66 152 125 A 11 MET H A 11 MET HA 1.0 . 3.91 153 126 A 11 MET HA A 11 MET HBx 1.0 . 3.28 154 126 A 11 MET HBy A 11 MET HA 1.0 . 3.28 155 127 A 11 MET HA A 11 MET HGy 1.0 . 4.36 156 127 A 11 MET HA A 11 MET HGx 1.0 . 4.36 157 128 A 11 MET H A 12 PRO HDy 1.0 . 4.06 158 129 A 11 MET H A 12 PRO HDx 1.0 . 4.04 159 130 A 11 MET HA A 12 PRO HBy 1.0 . 5.51 160 130 A 11 MET HA A 12 PRO HBx 1.0 . 5.51 161 131 A 12 PRO HA A 11 MET HBx 1.0 . 3.98 162 131 A 11 MET HBy A 12 PRO HA 1.0 . 3.98 163 132 A 11 MET HGx A 12 PRO HBy 1.0 . 5.38 164 132 A 11 MET HGy A 12 PRO HBy 1.0 . 5.38 165 132 A 12 PRO HBx A 11 MET HGy 1.0 . 5.38 166 132 A 11 MET HGx A 12 PRO HBx 1.0 . 5.38 167 133 A 11 MET H A 13 THR H 1.0 . 5.00 168 134 A 13 THR H A 11 MET HA 1.0 . 3.84 169 135 A 11 MET HA A 14 LEU H 1.0 . 3.85 170 136 A 11 MET H A 15 GLN H 1.0 . 5.30 171 137 A 11 MET HA A 15 GLN HBx 1.0 . 4.01 172 137 A 11 MET HA A 15 GLN HBy 1.0 . 4.01 173 138 A 11 MET HA A 15 GLN H 1.0 . 4.00 174 139 A 12 PRO HBx A 12 PRO HDx 1.0 . 4.35 175 139 A 12 PRO HBy A 12 PRO HDx 1.0 . 4.35 176 139 A 12 PRO HDy A 12 PRO HBy 1.0 . 4.35 177 139 A 12 PRO HBx A 12 PRO HDy 1.0 . 4.35 178 140 A 12 PRO HA A 12 PRO HBy 1.0 . 3.66 179 140 A 12 PRO HBx A 12 PRO HA 1.0 . 3.66 180 141 A 12 PRO HBx A 12 PRO HDx 1.0 . 3.94 181 141 A 12 PRO HBy A 12 PRO HDx 1.0 . 3.94 182 141 A 12 PRO HDy A 12 PRO HBy 1.0 . 3.94 183 141 A 12 PRO HBx A 12 PRO HDy 1.0 . 3.94 184 142 A 12 PRO HA A 12 PRO HDx 1.0 . 4.14 185 142 A 12 PRO HA A 12 PRO HDy 1.0 . 4.14 186 143 A 12 PRO HDx A 12 PRO HGx 1.0 . 3.73 187 143 A 12 PRO HDy A 12 PRO HGx 1.0 . 3.73 188 143 A 12 PRO HGy A 12 PRO HDx 1.0 . 3.73 189 143 A 12 PRO HDy A 12 PRO HGy 1.0 . 3.73 190 144 A 12 PRO HA A 12 PRO HGx 1.0 . 3.58 191 144 A 12 PRO HA A 12 PRO HGy 1.0 . 3.58 192 145 A 12 PRO HDx A 12 PRO HGx 1.0 . 4.29 193 145 A 12 PRO HDy A 12 PRO HGx 1.0 . 4.29 194 145 A 12 PRO HGy A 12 PRO HDx 1.0 . 4.29 195 145 A 12 PRO HDy A 12 PRO HGy 1.0 . 4.29 196 146 A 12 PRO HDx A 12 PRO HGx 1.0 . 4.36 197 146 A 12 PRO HDy A 12 PRO HGx 1.0 . 4.36 198 146 A 12 PRO HGy A 12 PRO HDx 1.0 . 4.36 199 146 A 12 PRO HDy A 12 PRO HGy 1.0 . 4.36 200 147 A 12 PRO HA A 13 THR HB 1.0 . 5.58 201 148 A 13 THR H A 12 PRO HDy 1.0 . 4.59 202 149 A 13 THR H A 12 PRO HDx 1.0 . 5.00 203 150 A 12 PRO HA A 15 GLN HBx 1.0 . 4.69 204 150 A 12 PRO HA A 15 GLN HBy 1.0 . 4.69 205 151 A 12 PRO HA A 15 GLN HE2y 1.0 . 5.30 206 152 A 15 GLN H A 12 PRO HDy 1.0 . 5.31 207 153 A 15 GLN H A 12 PRO HDx 1.0 . 5.71 208 154 A 12 PRO HA A 16 GLY H 1.0 . 5.00 209 155 A 13 THR H A 13 THR HB 1.0 . 3.61 210 156 A 13 THR H A 13 THR HA 1.0 . 3.70 211 157 A 13 THR HA A 13 THR HG1 1.0 . 3.45 212 158 A 13 THR HB A 13 THR HA 1.0 . 3.86 213 159 A 13 THR HB A 13 THR HG1 1.0 . 3.76 214 160 A 13 THR H A 14 LEU H 1.0 . 3.79 215 161 A 14 LEU H A 13 THR HA 1.0 . 3.68 216 162 A 14 LEU H A 13 THR HB 1.0 . 3.56 217 163 A 13 THR H A 15 GLN H 1.0 . 5.00 218 164 A 15 GLN H A 13 THR HA 1.0 . 5.00 219 165 A 13 THR HB A 15 GLN HE2y 1.0 . 5.49 220 166 A 13 THR H A 16 GLY H 1.0 . 5.00 221 167 A 14 LEU H A 14 LEU HA 1.0 . 3.65 222 168 A 14 LEU HA A 14 LEU HG 1.0 . 3.72 223 169 A 14 LEU HA A 14 LEU HDx% 1.0 . 3.75 224 170 A 14 LEU H A 15 GLN HA 1.0 . 5.00 225 171 A 14 LEU H A 15 GLN H 1.0 . 3.87 226 172 A 15 GLN H A 14 LEU HA 1.0 . 3.84 227 173 A 14 LEU H A 16 GLY H 1.0 . 5.00 228 174 A 16 GLY H A 14 LEU HA 1.0 . 4.18 229 175 A 14 LEU H A 17 LEU H 1.0 . 5.00 230 176 A 15 GLN H A 15 GLN HA 1.0 . 3.62 231 177 A 15 GLN HA A 15 GLN HBx 1.0 . 2.90 232 177 A 15 GLN HBy A 15 GLN HA 1.0 . 2.90 233 178 A 15 GLN HA A 15 GLN HGx 1.0 . 4.01 234 178 A 15 GLN HA A 15 GLN HGy 1.0 . 4.01 235 179 A 15 GLN HE2y A 15 GLN HA 1.0 . 5.00 236 180 A 15 GLN HE2y A 15 GLN HE2x 1.0 . 2.92 237 181 A 15 GLN H A 16 GLY HAx 1.0 . 5.30 238 182 A 15 GLN H A 16 GLY H 1.0 . 4.01 239 183 A 16 GLY H A 15 GLN HA 1.0 . 3.47 240 184 A 15 GLN HBy A 16 GLY HAy 1.0 . 4.88 241 184 A 15 GLN HBx A 16 GLY HAy 1.0 . 4.88 242 184 A 16 GLY HAx A 15 GLN HBx 1.0 . 4.88 243 184 A 15 GLN HBy A 16 GLY HAx 1.0 . 4.88 244 185 A 15 GLN H A 17 LEU H 1.0 . 5.00 245 186 A 15 GLN HA A 17 LEU H 1.0 . 4.48 246 187 A 15 GLN H A 18 LEU H 1.0 . 5.21 247 188 A 15 GLN HA A 18 LEU H 1.0 . 4.73 248 189 A 15 GLN HA A 19 ASP H 1.0 . 4.66 249 190 A 16 GLY H A 16 GLY HAy 1.0 . 3.19 250 191 A 16 GLY H A 16 GLY HAx 1.0 . 3.15 251 192 A 16 GLY H A 17 LEU HA 1.0 . 5.00 252 193 A 16 GLY H A 17 LEU HA 1.0 . 5.00 253 194 A 16 GLY H A 17 LEU H 1.0 . 3.54 254 195 A 16 GLY HAx A 17 LEU HDx% 1.0 . 5.00 255 195 A 16 GLY HAx A 17 LEU HDy% 1.0 . 5.00 256 196 A 17 LEU H A 16 GLY HAx 1.0 . 3.79 257 197 A 17 LEU H A 16 GLY HAy 1.0 . 3.50 258 198 A 16 GLY H A 18 LEU H 1.0 . 4.63 259 199 A 16 GLY HAx A 18 LEU H 1.0 . 4.53 260 200 A 18 LEU H A 16 GLY HAy 1.0 . 4.31 261 201 A 16 GLY HAx A 18 LEU HDy% 1.0 . 4.73 262 201 A 16 GLY HAy A 18 LEU HDy% 1.0 . 4.73 263 201 A 18 LEU HDx% A 16 GLY HAy 1.0 . 4.73 264 201 A 16 GLY HAx A 18 LEU HDx% 1.0 . 4.73 265 202 A 16 GLY HAx A 19 ASP H 1.0 . 3.96 266 203 A 19 ASP H A 16 GLY HAy 1.0 . 4.48 267 204 A 17 LEU H A 17 LEU HA 1.0 . 3.67 268 205 A 17 LEU HA A 17 LEU HDx% 1.0 . 4.05 269 206 A 17 LEU HA A 17 LEU HBx 1.0 . 3.03 270 206 A 17 LEU HA A 17 LEU HBy 1.0 . 3.03 271 207 A 17 LEU HA A 17 LEU HG 1.0 . 3.67 272 208 A 17 LEU H A 18 LEU HA 1.0 . 5.00 273 209 A 17 LEU H A 18 LEU H 1.0 . 3.46 274 210 A 18 LEU H A 17 LEU HA 1.0 . 4.11 275 211 A 17 LEU HA A 18 LEU HDx% 1.0 . 5.00 276 212 A 17 LEU HA A 18 LEU HG 1.0 . 4.35 277 213 A 18 LEU H A 17 LEU HA 1.0 . 4.11 278 214 A 18 LEU HA A 17 LEU HBx 1.0 . 4.38 279 214 A 17 LEU HBy A 18 LEU HA 1.0 . 4.38 280 215 A 17 LEU H A 19 ASP H 1.0 . 5.00 281 216 A 18 LEU H A 18 LEU HA 1.0 . 4.09 282 217 A 18 LEU HDx% A 18 LEU HA 1.0 . 3.48 283 218 A 18 LEU HA A 18 LEU HG 1.0 . 3.66 284 219 A 18 LEU HA A 18 LEU HBx 1.0 . 3.71 285 219 A 18 LEU HA A 18 LEU HBy 1.0 . 3.71 286 220 A 18 LEU H A 19 ASP HA 1.0 . 5.00 287 221 A 18 LEU H A 19 ASP H 1.0 . 4.08 288 222 A 18 LEU HA A 19 ASP HBx 1.0 . 5.00 289 222 A 18 LEU HA A 19 ASP HBy 1.0 . 5.00 290 223 A 19 ASP H A 18 LEU HA 1.0 . 3.03 291 224 A 19 ASP HA A 18 LEU HDy% 1.0 . 5.67 292 225 A 18 LEU HBx A 20 PRO HDx 1.0 . 5.50 293 225 A 18 LEU HBy A 20 PRO HDx 1.0 . 5.50 294 225 A 20 PRO HDy A 18 LEU HBx 1.0 . 5.50 295 225 A 18 LEU HBy A 20 PRO HDy 1.0 . 5.50 296 226 A 18 LEU HA A 23 ALA HB% 1.0 . 5.50 297 227 A 18 LEU HA A 23 ALA H 1.0 . 5.00 298 228 A 18 LEU HA A 24 HIS H 1.0 . 5.49 299 229 A 19 ASP HA A 20 PRO HBy 1.0 . 4.53 300 229 A 19 ASP HA A 20 PRO HBx 1.0 . 4.53 301 230 A 19 ASP HA A 22 SER H 1.0 . 5.00 302 231 A 19 ASP HA A 21 GLU H 1.0 . 4.69 303 232 A 19 ASP H A 22 SER HA 1.0 . 5.50 304 233 A 19 ASP HA A 23 ALA H 1.0 . 5.00 305 234 A 19 ASP HA A 24 HIS H 1.0 . 5.45 306 235 A 19 ASP H A 19 ASP HA 1.0 . 3.62 307 236 A 19 ASP HBx A 20 PRO HDx 1.0 . 3.52 308 236 A 19 ASP HBy A 20 PRO HDx 1.0 . 3.52 309 236 A 20 PRO HDy A 19 ASP HBx 1.0 . 3.52 310 236 A 19 ASP HBy A 20 PRO HDy 1.0 . 3.52 311 237 A 19 ASP HBx A 20 PRO HDx 1.0 . 5.00 312 237 A 19 ASP HBy A 20 PRO HDx 1.0 . 5.00 313 237 A 20 PRO HDy A 19 ASP HBx 1.0 . 5.00 314 237 A 19 ASP HBy A 20 PRO HDy 1.0 . 5.00 315 238 A 19 ASP HA A 20 PRO HGx 1.0 . 5.01 316 238 A 19 ASP HA A 20 PRO HGy 1.0 . 5.01 317 239 A 19 ASP HA A 19 ASP HBx 1.0 . 3.74 318 239 A 19 ASP HA A 19 ASP HBy 1.0 . 3.74 319 240 A 19 ASP HA A 20 PRO HDx 1.0 . 3.82 320 240 A 19 ASP HA A 20 PRO HDy 1.0 . 3.82 321 241 A 19 ASP HBx A 20 PRO HDx 1.0 . 4.22 322 241 A 19 ASP HBy A 20 PRO HDx 1.0 . 4.22 323 241 A 20 PRO HDy A 19 ASP HBx 1.0 . 4.22 324 241 A 19 ASP HBy A 20 PRO HDy 1.0 . 4.22 325 242 A 19 ASP HA A 20 PRO HBy 1.0 . 4.53 326 242 A 19 ASP HA A 20 PRO HBx 1.0 . 4.53 327 243 A 19 ASP HA A 22 SER H 1.0 . 5.00 328 244 A 19 ASP HA A 21 GLU H 1.0 . 4.69 329 245 A 19 ASP H A 22 SER HA 1.0 . 5.50 330 246 A 19 ASP HA A 23 ALA H 1.0 . 5.00 331 247 A 19 ASP HA A 24 HIS H 1.0 . 5.45 332 248 A 19 ASP H A 19 ASP HA 1.0 . 3.62 333 249 A 20 PRO HBy A 20 PRO HDx 1.0 . 3.66 334 249 A 20 PRO HBx A 20 PRO HDx 1.0 . 3.66 335 249 A 20 PRO HDy A 20 PRO HBy 1.0 . 3.66 336 249 A 20 PRO HDy A 20 PRO HBx 1.0 . 3.66 337 250 A 20 PRO HA A 20 PRO HBy 1.0 . 3.03 338 250 A 20 PRO HBx A 20 PRO HA 1.0 . 3.03 339 251 A 20 PRO HDy A 20 PRO HGx 1.0 . 3.59 340 251 A 20 PRO HDx A 20 PRO HGx 1.0 . 3.59 341 251 A 20 PRO HGy A 20 PRO HDx 1.0 . 3.59 342 251 A 20 PRO HDy A 20 PRO HGy 1.0 . 3.59 343 252 A 20 PRO HA A 20 PRO HGx 1.0 . 3.64 344 252 A 20 PRO HGy A 20 PRO HA 1.0 . 3.64 345 253 A 21 GLU H A 20 PRO HA 1.0 . 3.72 346 254 A 20 PRO HDy A 21 GLU H 1.0 . 4.51 347 255 A 21 GLU H A 20 PRO HDx 1.0 . 4.10 348 256 A 20 PRO HDx A 21 GLU HGx 1.0 . 5.00 349 256 A 20 PRO HDy A 21 GLU HGx 1.0 . 5.00 350 256 A 21 GLU HGy A 20 PRO HDx 1.0 . 5.00 351 256 A 20 PRO HDy A 21 GLU HGy 1.0 . 5.00 352 257 A 23 ALA HB% A 20 PRO HA 1.0 . 4.15 353 258 A 21 GLU H A 21 GLU HA 1.0 . 3.57 354 259 A 21 GLU HA A 21 GLU HGx 1.0 . 3.36 355 259 A 21 GLU HGy A 21 GLU HA 1.0 . 3.36 356 260 A 21 GLU H A 22 SER HBy 1.0 . 5.00 357 261 A 22 SER H A 21 GLU H 1.0 . 3.49 358 262 A 22 SER H A 21 GLU HA 1.0 . 3.35 359 263 A 22 SER HA A 21 GLU HGx 1.0 . 5.00 360 263 A 22 SER HA A 21 GLU HGy 1.0 . 5.00 361 264 A 23 ALA H A 21 GLU H 1.0 . 4.75 362 265 A 23 ALA HB% A 21 GLU HA 1.0 . 5.83 363 266 A 23 ALA H A 21 GLU HA 1.0 . 4.77 364 267 A 24 HIS H A 21 GLU H 1.0 . 5.00 365 268 A 21 GLU HA A 24 HIS HBx 1.0 . 5.55 366 268 A 21 GLU HA A 24 HIS HBy 1.0 . 5.55 367 269 A 21 GLU HA A 24 HIS HBx 1.0 . 5.55 368 269 A 21 GLU HA A 24 HIS HBy 1.0 . 5.55 369 270 A 21 GLU HA A 24 HIS HD2 1.0 . 4.95 370 271 A 24 HIS H A 21 GLU HA 1.0 . 4.23 371 272 A 21 GLU HGy A 24 HIS HBx 1.0 . 5.00 372 272 A 21 GLU HGx A 24 HIS HBx 1.0 . 5.00 373 272 A 24 HIS HBy A 21 GLU HGx 1.0 . 5.00 374 272 A 21 GLU HGy A 24 HIS HBy 1.0 . 5.00 375 273 A 21 GLU H A 25 ARG H 1.0 . 5.00 376 274 A 21 GLU HGx A 25 ARG HDx 1.0 . 5.00 377 274 A 21 GLU HGy A 25 ARG HDx 1.0 . 5.00 378 274 A 25 ARG HDy A 21 GLU HGx 1.0 . 5.00 379 274 A 21 GLU HGy A 25 ARG HDy 1.0 . 5.00 380 275 A 22 SER H A 22 SER HA 1.0 . 3.71 381 276 A 22 SER H A 22 SER HBy 1.0 . 3.94 382 277 A 22 SER H A 22 SER HBx 1.0 . 3.74 383 278 A 22 SER HA A 22 SER HBy 1.0 . 3.77 384 278 A 22 SER HA A 22 SER HBx 1.0 . 3.77 385 279 A 22 SER HA A 22 SER HBy 1.0 . 3.94 386 279 A 22 SER HA A 22 SER HBx 1.0 . 3.94 387 280 A 23 ALA H A 22 SER H 1.0 . 3.64 388 281 A 23 ALA H A 22 SER HA 1.0 . 3.72 389 282 A 23 ALA H A 22 SER HBx 1.0 . 4.16 390 283 A 23 ALA H A 22 SER HBy 1.0 . 3.98 391 284 A 23 ALA HB% A 22 SER HBy 1.0 . 5.00 392 284 A 23 ALA HB% A 22 SER HBx 1.0 . 5.00 393 285 A 23 ALA HB% A 22 SER HBy 1.0 . 3.89 394 285 A 23 ALA HB% A 22 SER HBx 1.0 . 3.89 395 286 A 24 HIS H A 22 SER H 1.0 . 4.66 396 287 A 24 HIS H A 22 SER HA 1.0 . 4.57 397 288 A 24 HIS H A 22 SER HBx 1.0 . 5.00 398 289 A 22 SER HA A 25 ARG HBy 1.0 . 5.21 399 289 A 22 SER HA A 25 ARG HBx 1.0 . 5.21 400 290 A 22 SER HA A 25 ARG H 1.0 . 3.84 401 291 A 22 SER HA A 25 ARG HE 1.0 . 5.00 402 292 A 22 SER HA A 25 ARG HGx 1.0 . 5.00 403 292 A 22 SER HA A 25 ARG HGy 1.0 . 5.00 404 293 A 22 SER HA A 25 ARG HDx 1.0 . 4.43 405 293 A 22 SER HA A 25 ARG HDy 1.0 . 4.43 406 294 A 22 SER HA A 26 LEU H 1.0 . 4.28 407 295 A 23 ALA H A 23 ALA HA 1.0 . 3.20 408 296 A 23 ALA HB% A 23 ALA HA 1.0 . 2.90 409 297 A 23 ALA H A 24 HIS H 1.0 . 3.66 410 298 A 23 ALA H A 24 HIS HA 1.0 . 5.00 411 299 A 24 HIS H A 23 ALA HA 1.0 . 3.89 412 300 A 23 ALA HB% A 24 HIS HBx 1.0 . 4.34 413 300 A 23 ALA HB% A 24 HIS HBy 1.0 . 4.34 414 301 A 23 ALA HB% A 24 HIS HA 1.0 . 4.94 415 302 A 23 ALA H A 25 ARG H 1.0 . 4.98 416 303 A 23 ALA H A 26 LEU H 1.0 . 5.30 417 304 A 23 ALA HA A 26 LEU HBy 1.0 . 4.91 418 304 A 23 ALA HA A 26 LEU HBx 1.0 . 4.91 419 305 A 26 LEU H A 23 ALA HA 1.0 . 4.02 420 306 A 23 ALA HA A 26 LEU HDy% 1.0 . 3.93 421 306 A 23 ALA HA A 26 LEU HDx% 1.0 . 3.93 422 307 A 23 ALA HA A 27 ALA H 1.0 . 4.40 423 308 A 24 HIS H A 24 HIS HD2 1.0 . 5.00 424 309 A 24 HIS H A 24 HIS HA 1.0 . 3.72 425 310 A 24 HIS HA A 24 HIS HBx 1.0 . 3.09 426 310 A 24 HIS HBy A 24 HIS HA 1.0 . 3.09 427 311 A 24 HIS HD2 A 24 HIS HA 1.0 . 4.59 428 312 A 24 HIS HD2 A 24 HIS HE1 1.0 . 5.00 429 313 A 24 HIS H A 25 ARG HA 1.0 . 5.16 430 314 A 24 HIS H A 25 ARG H 1.0 . 3.61 431 315 A 25 ARG H A 24 HIS HA 1.0 . 3.50 432 316 A 24 HIS HD2 A 25 ARG HA 1.0 . 4.95 433 317 A 24 HIS HD2 A 25 ARG H 1.0 . 5.00 434 318 A 24 HIS HE1 A 25 ARG HA 1.0 . 5.00 435 319 A 25 ARG HA A 24 HIS HBx 1.0 . 5.00 436 319 A 24 HIS HBy A 25 ARG HA 1.0 . 5.00 437 320 A 24 HIS HBy A 25 ARG HBy 1.0 . 4.56 438 320 A 24 HIS HBx A 25 ARG HBy 1.0 . 4.56 439 320 A 25 ARG HBx A 24 HIS HBx 1.0 . 4.56 440 320 A 24 HIS HBy A 25 ARG HBx 1.0 . 4.56 441 321 A 24 HIS H A 26 LEU H 1.0 . 4.89 442 322 A 26 LEU H A 24 HIS HA 1.0 . 4.69 443 323 A 24 HIS HA A 27 ALA HB% 1.0 . 3.81 444 324 A 24 HIS HA A 27 ALA H 1.0 . 4.03 445 325 A 27 ALA HB% A 24 HIS HBx 1.0 . 4.79 446 325 A 24 HIS HBy A 27 ALA HB% 1.0 . 4.79 447 326 A 24 HIS H A 28 VAL H 1.0 . 5.50 448 327 A 24 HIS HA A 28 VAL H 1.0 . 5.00 449 328 A 25 ARG H A 25 ARG HE 1.0 . 5.00 450 329 A 25 ARG H A 25 ARG HA 1.0 . 3.67 451 330 A 25 ARG HE A 25 ARG HA 1.0 . 5.00 452 331 A 25 ARG HA A 25 ARG HGx 1.0 . 3.61 453 331 A 25 ARG HGy A 25 ARG HA 1.0 . 3.61 454 332 A 25 ARG HA A 25 ARG HDx 1.0 . 4.16 455 332 A 25 ARG HDy A 25 ARG HA 1.0 . 4.16 456 333 A 25 ARG HA A 25 ARG HBy 1.0 . 3.01 457 333 A 25 ARG HBx A 25 ARG HA 1.0 . 3.01 458 334 A 25 ARG HBy A 25 ARG HDx 1.0 . 3.10 459 334 A 25 ARG HBx A 25 ARG HDx 1.0 . 3.10 460 334 A 25 ARG HDy A 25 ARG HBy 1.0 . 3.10 461 334 A 25 ARG HDy A 25 ARG HBx 1.0 . 3.10 462 335 A 25 ARG HDx A 25 ARG HGx 1.0 . 3.44 463 335 A 25 ARG HDy A 25 ARG HGx 1.0 . 3.44 464 335 A 25 ARG HGy A 25 ARG HDx 1.0 . 3.44 465 335 A 25 ARG HDy A 25 ARG HGy 1.0 . 3.44 466 336 A 25 ARG H A 26 LEU HA 1.0 . 5.30 467 337 A 25 ARG H A 26 LEU H 1.0 . 4.05 468 338 A 25 ARG HA A 26 LEU HBy 1.0 . 5.98 469 338 A 26 LEU HBx A 25 ARG HA 1.0 . 5.98 470 339 A 26 LEU H A 25 ARG HA 1.0 . 3.93 471 340 A 25 ARG HE A 26 LEU H 1.0 . 5.00 472 341 A 26 LEU HA A 25 ARG HBy 1.0 . 4.25 473 341 A 25 ARG HBx A 26 LEU HA 1.0 . 4.25 474 342 A 26 LEU HDx% A 25 ARG HDx 1.0 . 5.00 475 342 A 25 ARG HDy A 26 LEU HDx% 1.0 . 5.00 476 343 A 25 ARG HDy A 26 LEU HBy 1.0 . 5.01 477 343 A 25 ARG HDx A 26 LEU HBy 1.0 . 5.01 478 343 A 26 LEU HBx A 25 ARG HDx 1.0 . 5.01 479 343 A 25 ARG HDy A 26 LEU HBx 1.0 . 5.01 480 344 A 27 ALA H A 25 ARG HA 1.0 . 4.91 481 345 A 25 ARG HA A 28 VAL H 1.0 . 4.22 482 346 A 25 ARG HA A 29 ARG H 1.0 . 5.00 483 347 A 26 LEU H A 26 LEU HA 1.0 . 3.45 484 348 A 26 LEU HA A 26 LEU HG 1.0 . 3.87 485 349 A 26 LEU H A 27 ALA H 1.0 . 3.53 486 350 A 27 ALA H A 26 LEU HA 1.0 . 3.40 487 351 A 26 LEU H A 28 VAL H 1.0 . 4.96 488 352 A 26 LEU H A 29 ARG H 1.0 . 5.00 489 353 A 29 ARG HDy A 26 LEU HDy% 1.0 . 4.88 490 353 A 26 LEU HDy% A 29 ARG HDx 1.0 . 4.88 491 354 A 26 LEU HA A 30 PHE HZ 1.0 . 5.00 492 355 A 30 PHE HA A 26 LEU HDy% 1.0 . 5.73 493 356 A 27 ALA H A 27 ALA HA 1.0 . 3.44 494 357 A 27 ALA HB% A 27 ALA HA 1.0 . 3.09 495 358 A 27 ALA HB% A 27 ALA HA 1.0 . 3.28 496 359 A 27 ALA H A 28 VAL HA 1.0 . 5.00 497 360 A 27 ALA H A 28 VAL H 1.0 . 3.72 498 361 A 28 VAL H A 27 ALA HA 1.0 . 3.71 499 362 A 27 ALA HB% A 28 VAL HA 1.0 . 5.00 500 363 A 27 ALA H A 29 ARG H 1.0 . 4.54 501 364 A 27 ALA HA A 29 ARG HDx 1.0 . 4.94 502 364 A 29 ARG HDy A 27 ALA HA 1.0 . 4.94 503 365 A 27 ALA H A 30 PHE H 1.0 . 5.23 504 366 A 27 ALA HA A 30 PHE HBy 1.0 . 4.91 505 366 A 27 ALA HA A 30 PHE HBx 1.0 . 4.91 506 367 A 27 ALA HA A 30 PHE H 1.0 . 3.82 507 368 A 27 ALA HB% A 30 PHE HBy 1.0 . 5.01 508 368 A 27 ALA HB% A 30 PHE HBx 1.0 . 5.01 509 369 A 27 ALA HA A 31 THR H 1.0 . 4.17 510 370 A 27 ALA HA A 31 THR HG1 1.0 . 4.75 511 371 A 28 VAL H A 28 VAL HA 1.0 . 3.58 512 372 A 28 VAL HA A 28 VAL HGx% 1.0 . 3.26 513 373 A 28 VAL HA A 28 VAL HGy% 1.0 . 3.44 514 374 A 28 VAL H A 29 ARG H 1.0 . 3.67 515 375 A 29 ARG H A 28 VAL HA 1.0 . 4.13 516 376 A 28 VAL HGy% A 29 ARG HA 1.0 . 4.59 517 377 A 28 VAL H A 30 PHE H 1.0 . 5.00 518 378 A 28 VAL HA A 30 PHE H 1.0 . 5.00 519 379 A 28 VAL HA A 31 THR H 1.0 . 4.49 520 380 A 28 VAL HA A 31 THR HA 1.0 . 5.00 521 381 A 28 VAL HA A 31 THR HG1 1.0 . 4.68 522 382 A 28 VAL HA A 32 SER H 1.0 . 5.00 523 383 A 29 ARG H A 29 ARG HA 1.0 . 3.62 524 384 A 29 ARG H A 29 ARG HE 1.0 . 5.00 525 385 A 29 ARG HA A 29 ARG HE 1.0 . 4.80 526 386 A 29 ARG HA A 29 ARG HDx 1.0 . 4.42 527 386 A 29 ARG HDy A 29 ARG HA 1.0 . 4.42 528 387 A 29 ARG HBy A 29 ARG HDx 1.0 . 4.94 529 387 A 29 ARG HBx A 29 ARG HDx 1.0 . 4.94 530 387 A 29 ARG HDy A 29 ARG HBy 1.0 . 4.94 531 387 A 29 ARG HDy A 29 ARG HBx 1.0 . 4.94 532 388 A 29 ARG HDy A 29 ARG HGx 1.0 . 3.41 533 388 A 29 ARG HGy A 29 ARG HDx 1.0 . 3.41 534 388 A 29 ARG HDy A 29 ARG HGy 1.0 . 3.41 535 388 A 29 ARG HDx A 29 ARG HGx 1.0 . 3.41 536 389 A 29 ARG H A 30 PHE H 1.0 . 3.55 537 390 A 30 PHE H A 29 ARG HA 1.0 . 4.16 538 391 A 30 PHE H A 29 ARG HE 1.0 . 5.00 539 392 A 30 PHE HZ A 29 ARG HE 1.0 . 5.00 540 393 A 29 ARG HBx A 30 PHE HBy 1.0 . 5.00 541 393 A 29 ARG HBy A 30 PHE HBy 1.0 . 5.00 542 393 A 30 PHE HBx A 29 ARG HBy 1.0 . 5.00 543 393 A 30 PHE HBx A 29 ARG HBx 1.0 . 5.00 544 394 A 30 PHE HA A 29 ARG HBy 1.0 . 4.24 545 394 A 30 PHE HA A 29 ARG HBx 1.0 . 4.24 546 395 A 30 PHE HA A 29 ARG HGx 1.0 . 5.35 547 395 A 30 PHE HA A 29 ARG HGy 1.0 . 5.35 548 396 A 29 ARG H A 31 THR H 1.0 . 4.10 549 397 A 29 ARG H A 31 THR H 1.0 . 4.10 550 398 A 31 THR H A 29 ARG HA 1.0 . 4.95 551 399 A 29 ARG HA A 32 SER H 1.0 . 5.28 552 400 A 29 ARG HA A 33 LEU HBx 1.0 . 5.91 553 400 A 29 ARG HA A 33 LEU HBy 1.0 . 5.91 554 401 A 29 ARG HA A 33 LEU H 1.0 . 5.13 555 402 A 33 LEU HA A 29 ARG HBy 1.0 . 5.50 556 402 A 29 ARG HBx A 33 LEU HA 1.0 . 5.50 557 403 A 30 PHE HA A 30 PHE H 1.0 . 3.70 558 404 A 30 PHE HA A 30 PHE HBy 1.0 . 3.61 559 404 A 30 PHE HA A 30 PHE HBx 1.0 . 3.61 560 405 A 30 PHE H A 31 THR HA 1.0 . 5.00 561 406 A 30 PHE H A 31 THR HB 1.0 . 5.00 562 407 A 30 PHE H A 31 THR H 1.0 . 3.72 563 408 A 30 PHE HA A 31 THR H 1.0 . 3.67 564 409 A 30 PHE HA A 31 THR HG1 1.0 . 5.00 565 410 A 31 THR HG1 A 30 PHE HBy 1.0 . 4.95 566 410 A 30 PHE HBx A 31 THR HG1 1.0 . 4.95 567 411 A 31 THR HG1 A 30 PHE HBy 1.0 . 4.85 568 411 A 30 PHE HBx A 31 THR HG1 1.0 . 4.85 569 412 A 30 PHE HA A 32 SER H 1.0 . 4.91 570 413 A 30 PHE HA A 33 LEU H 1.0 . 4.41 571 414 A 30 PHE HA A 33 LEU HDx% 1.0 . 5.50 572 415 A 30 PHE HA A 33 LEU HBx 1.0 . 3.85 573 415 A 30 PHE HA A 33 LEU HBy 1.0 . 3.85 574 416 A 31 THR H A 31 THR HA 1.0 . 3.90 575 417 A 31 THR H A 31 THR HB 1.0 . 3.52 576 418 A 31 THR HA A 31 THR HB 1.0 . 4.90 577 419 A 31 THR HG1 A 31 THR HA 1.0 . 2.92 578 420 A 31 THR HG1 A 31 THR HB 1.0 . 3.25 579 421 A 31 THR HA A 32 SER H 1.0 . 3.82 580 422 A 32 SER H A 31 THR HB 1.0 . 3.36 581 423 A 31 THR HG1 A 32 SER HBx 1.0 . 5.24 582 423 A 31 THR HG1 A 32 SER HBy 1.0 . 5.24 583 424 A 31 THR HA A 33 LEU H 1.0 . 4.99 584 425 A 31 THR HA A 33 LEU HDy% 1.0 . 4.28 585 425 A 31 THR HA A 33 LEU HDx% 1.0 . 4.28 586 426 A 33 LEU H A 31 THR HB 1.0 . 4.78 587 427 A 31 THR H A 33 LEU H 1.0 . 4.78 588 428 A 32 SER H A 32 SER HA 1.0 . 3.48 589 429 A 32 SER HA A 32 SER HBx 1.0 . 3.37 590 429 A 32 SER HBy A 32 SER HA 1.0 . 3.37 591 430 A 32 SER H A 33 LEU H 1.0 . 4.43 592 431 A 33 LEU H A 32 SER HA 1.0 . 3.82 593 432 A 32 SER HA A 33 LEU HDy% 1.0 . 5.00 594 433 A 32 SER HA A 34 GLY H 1.0 . 4.03 595 434 A 32 SER H A 34 GLY H 1.0 . 4.70 596 435 A 33 LEU H A 33 LEU HA 1.0 . 3.75 597 436 A 33 LEU HA A 33 LEU HBx 1.0 . 3.44 598 436 A 33 LEU HBy A 33 LEU HA 1.0 . 3.44 599 437 A 33 LEU HA A 33 LEU HG 1.0 . 3.64 600 438 A 33 LEU HA A 33 LEU HDy% 1.0 . 3.29 601 439 A 33 LEU HA A 33 LEU HDx% 1.0 . 4.03 602 440 A 33 LEU H A 34 GLY H 1.0 . 4.63 603 441 A 33 LEU HA A 34 GLY H 1.0 . 3.51 stop_ save_