data_nef_c34212_6f61 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 6F61 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 3 CYS SG 1 16 CYS SG 1 10 CYS SG 1 21 CYS SG 1 15 CYS SG 1 28 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 GLY start . false 2 A 2 TYR middle . . 3 A 3 CYS middle -HG . 4 A 4 ALA middle . . 5 A 5 THR middle . . 6 A 6 LYS middle . . 7 A 7 GLY middle . false 8 A 8 ILE middle . . 9 A 9 LYS middle . . 10 A 10 CYS middle -HG . 11 A 11 ASN middle . . 12 A 12 ASP middle . . 13 A 13 ILE middle . . 14 A 14 HIS middle . . 15 A 15 CYS middle -HG . 16 A 16 CYS middle -HG . 17 A 17 SER middle . . 18 A 18 GLY middle . false 19 A 19 LEU middle . . 20 A 20 LYS middle . . 21 A 21 CYS middle -HG . 22 A 22 ASP middle . . 23 A 23 SER middle . . 24 A 24 LYS middle . . 25 A 25 ARG middle . . 26 A 26 LYS middle . . 27 A 27 VAL middle . . 28 A 28 CYS middle -HG . 29 A 29 VAL middle . . 30 A 30 LYS middle . . 31 A 31 GLY end . false 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 HAx H 1 3.799 0.000 A 1 GLY HAy H 1 3.799 0.000 A 1 GLY CA C 13 40.527 0.000 A 2 TYR H H 1 8.521 0.000 A 2 TYR HA H 1 4.644 0.000 A 2 TYR HBy H 1 3.001 0.000 A 2 TYR HBx H 1 2.932 0.000 A 2 TYR HDx H 1 7.084 0.000 A 2 TYR HDy H 1 7.084 0.000 A 2 TYR HEx H 1 6.786 0.000 A 2 TYR HEy H 1 6.786 0.000 A 2 TYR CB C 13 36.470 0.000 A 3 CYS H H 1 7.612 0.000 A 3 CYS HA H 1 4.709 0.000 A 3 CYS HBx H 1 2.808 0.000 A 3 CYS HBy H 1 2.889 0.000 A 3 CYS CB C 13 40.945 0.000 A 4 ALA H H 1 8.645 0.000 A 4 ALA HA H 1 4.394 0.000 A 4 ALA HB% H 1 1.217 0.000 A 4 ALA CA C 13 49.008 0.000 A 4 ALA CB C 13 17.873 0.000 A 5 THR H H 1 6.867 0.000 A 5 THR HA H 1 4.069 0.000 A 5 THR HB H 1 4.511 0.000 A 5 THR HG2% H 1 1.224 0.000 A 5 THR CA C 13 58.781 0.000 A 5 THR CB C 13 66.490 0.000 A 5 THR CG2 C 13 19.669 0.000 A 6 LYS H H 1 8.108 0.000 A 6 LYS HA H 1 3.521 0.000 A 6 LYS HBx H 1 1.728 0.000 A 6 LYS HBy H 1 1.728 0.000 A 6 LYS HDx H 1 1.626 0.000 A 6 LYS HDy H 1 1.626 0.000 A 6 LYS HEx H 1 2.966 0.000 A 6 LYS HEy H 1 2.966 0.000 A 6 LYS HGx H 1 1.376 0.000 A 6 LYS HGy H 1 1.376 0.000 A 6 LYS HZ1 H 1 7.574 0.000 A 6 LYS HZ2 H 1 7.574 0.000 A 6 LYS HZ3 H 1 7.574 0.000 A 6 LYS CA C 13 56.471 0.000 A 6 LYS CB C 13 29.566 0.000 A 6 LYS CG C 13 21.922 0.000 A 7 GLY H H 1 9.385 0.000 A 7 GLY HAy H 1 4.237 0.000 A 7 GLY HAx H 1 3.445 0.000 A 7 GLY CA C 13 42.564 0.000 A 8 ILE H H 1 7.735 0.000 A 8 ILE HA H 1 4.237 0.000 A 8 ILE HB H 1 2.206 0.000 A 8 ILE HD1% H 1 0.722 0.000 A 8 ILE HG1y H 1 1.274 0.000 A 8 ILE HG1x H 1 1.203 0.000 A 8 ILE HG2% H 1 1.139 0.000 A 8 ILE CA C 13 55.315 0.000 A 8 ILE CB C 13 33.045 0.000 A 8 ILE CD1 C 13 6.785 0.000 A 8 ILE CG1 C 13 25.034 0.000 A 8 ILE CG2 C 13 14.488 0.000 A 9 LYS H H 1 7.992 0.000 A 9 LYS HA H 1 4.786 0.000 A 9 LYS HBy H 1 2.033 0.000 A 9 LYS HBx H 1 1.886 0.000 A 9 LYS HDx H 1 1.749 0.000 A 9 LYS HDy H 1 1.749 0.000 A 9 LYS HEx H 1 3.022 0.000 A 9 LYS HEy H 1 3.022 0.000 A 9 LYS HGy H 1 1.728 0.000 A 9 LYS HGx H 1 1.573 0.000 A 9 LYS HZ1 H 1 7.473 0.000 A 9 LYS HZ2 H 1 7.473 0.000 A 9 LYS HZ3 H 1 7.473 0.000 A 9 LYS CA C 13 54.920 0.000 A 9 LYS CB C 13 30.310 0.000 A 9 LYS CD C 13 26.467 0.000 A 9 LYS CE C 13 39.241 0.000 A 9 LYS CG C 13 22.259 0.000 A 10 CYS H H 1 8.150 0.000 A 10 CYS HA H 1 5.296 0.000 A 10 CYS HBy H 1 3.714 0.000 A 10 CYS HBx H 1 2.919 0.000 A 10 CYS CA C 13 52.016 0.000 A 10 CYS CB C 13 40.806 0.000 A 11 ASN H H 1 8.230 0.000 A 11 ASN HA H 1 4.337 0.000 A 11 ASN HBx H 1 2.679 0.000 A 11 ASN HBy H 1 2.679 0.000 A 11 ASN HD2y H 1 7.730 0.000 A 11 ASN HD2x H 1 6.919 0.000 A 11 ASN CA C 13 53.677 0.000 A 11 ASN CB C 13 35.049 0.000 A 12 ASP H H 1 8.360 0.000 A 12 ASP HA H 1 4.801 0.000 A 12 ASP HBy H 1 2.795 0.000 A 12 ASP HBx H 1 2.769 0.000 A 12 ASP CA C 13 50.192 0.000 A 12 ASP CB C 13 36.783 0.000 A 13 ILE H H 1 7.206 0.000 A 13 ILE HA H 1 4.267 0.000 A 13 ILE HB H 1 1.740 0.000 A 13 ILE HD1% H 1 0.759 0.000 A 13 ILE HG1x H 1 1.153 0.000 A 13 ILE HG1y H 1 1.431 0.000 A 13 ILE HG2% H 1 0.852 0.000 A 13 ILE CA C 13 56.955 0.000 A 13 ILE CB C 13 37.876 0.000 A 13 ILE CD1 C 13 10.903 0.000 A 13 ILE CG1 C 13 24.596 0.000 A 13 ILE CG2 C 13 14.728 0.000 A 14 HIS H H 1 8.148 0.000 A 14 HIS HA H 1 4.716 0.000 A 14 HIS HBx H 1 3.217 0.000 A 14 HIS HBy H 1 3.217 0.000 A 14 HIS HD2 H 1 7.325 0.000 A 14 HIS HE1 H 1 8.588 0.000 A 14 HIS CA C 13 55.549 0.000 A 14 HIS CB C 13 26.446 0.000 A 15 CYS H H 1 9.132 0.000 A 15 CYS HA H 1 5.073 0.000 A 15 CYS HBy H 1 3.084 0.000 A 15 CYS HBx H 1 2.454 0.000 A 15 CYS CA C 13 53.043 0.000 A 15 CYS CB C 13 37.855 0.000 A 16 CYS H H 1 9.234 0.000 A 16 CYS HA H 1 4.507 0.000 A 16 CYS HBy H 1 3.389 0.000 A 16 CYS HBx H 1 2.437 0.000 A 16 CYS CA C 13 51.284 0.000 A 16 CYS CB C 13 37.411 0.000 A 17 SER H H 1 8.238 0.000 A 17 SER HA H 1 4.188 0.000 A 17 SER HBx H 1 3.825 0.000 A 17 SER HBy H 1 3.825 0.000 A 17 SER CA C 13 57.556 0.000 A 17 SER CB C 13 60.426 0.000 A 18 GLY H H 1 8.829 0.000 A 18 GLY HAy H 1 4.257 0.000 A 18 GLY HAx H 1 3.657 0.000 A 18 GLY CA C 13 42.261 0.000 A 19 LEU H H 1 7.776 0.000 A 19 LEU HA H 1 5.084 0.000 A 19 LEU HBy H 1 2.102 0.000 A 19 LEU HBx H 1 1.223 0.000 A 19 LEU HDx% H 1 0.767 0.000 A 19 LEU HDy% H 1 0.643 0.000 A 19 LEU HG H 1 1.375 0.000 A 19 LEU CA C 13 50.238 0.000 A 19 LEU CB C 13 42.260 0.000 A 19 LEU CDy C 13 24.182 0.000 A 19 LEU CDx C 13 20.210 0.000 A 19 LEU CG C 13 24.031 0.000 A 20 LYS H H 1 9.351 0.000 A 20 LYS HA H 1 4.588 0.000 A 20 LYS HBx H 1 1.630 0.000 A 20 LYS HBy H 1 1.630 0.000 A 20 LYS HEx H 1 2.931 0.000 A 20 LYS HEy H 1 2.931 0.000 A 20 LYS HGx H 1 1.180 0.000 A 20 LYS HGy H 1 1.180 0.000 A 20 LYS HZ1 H 1 7.521 0.000 A 20 LYS HZ2 H 1 7.521 0.000 A 20 LYS HZ3 H 1 7.521 0.000 A 20 LYS CE C 13 39.447 0.000 A 20 LYS CG C 13 21.632 0.000 A 21 CYS H H 1 8.984 0.000 A 21 CYS HA H 1 4.694 0.000 A 21 CYS HBy H 1 3.200 0.000 A 21 CYS HBx H 1 2.879 0.000 A 21 CYS CB C 13 35.683 0.000 A 22 ASP H H 1 8.468 0.000 A 22 ASP HA H 1 4.389 0.000 A 22 ASP HBy H 1 2.891 0.000 A 22 ASP HBx H 1 2.623 0.000 A 22 ASP CA C 13 53.279 0.000 A 22 ASP CB C 13 41.624 0.000 A 23 SER H H 1 8.819 0.000 A 23 SER HA H 1 4.057 0.000 A 23 SER HBx H 1 3.923 0.000 A 23 SER HBy H 1 3.923 0.000 A 23 SER CA C 13 57.462 0.000 A 23 SER CB C 13 60.519 0.000 A 24 LYS H H 1 7.910 0.000 A 24 LYS HA H 1 4.361 0.000 A 24 LYS HBx H 1 1.875 0.000 A 24 LYS HBy H 1 1.875 0.000 A 24 LYS HDx H 1 1.666 0.000 A 24 LYS HDy H 1 1.666 0.000 A 24 LYS HEx H 1 2.963 0.000 A 24 LYS HEy H 1 2.963 0.000 A 24 LYS HGy H 1 1.461 0.000 A 24 LYS HGx H 1 1.345 0.000 A 24 LYS HZ1 H 1 7.488 0.000 A 24 LYS HZ2 H 1 7.488 0.000 A 24 LYS HZ3 H 1 7.488 0.000 A 24 LYS CA C 13 55.216 0.000 A 24 LYS CB C 13 30.592 0.000 A 24 LYS CD C 13 26.137 0.000 A 24 LYS CG C 13 22.394 0.000 A 25 ARG H H 1 9.059 0.000 A 25 ARG HA H 1 4.183 0.000 A 25 ARG HBx H 1 1.495 0.000 A 25 ARG HBy H 1 1.961 0.000 A 25 ARG HDy H 1 3.152 0.000 A 25 ARG HDx H 1 3.087 0.000 A 25 ARG HE H 1 7.068 0.000 A 25 ARG HGx H 1 1.644 0.000 A 25 ARG HGy H 1 1.644 0.000 A 25 ARG CA C 13 54.089 0.000 A 25 ARG CB C 13 29.592 0.000 A 25 ARG CD C 13 40.916 0.000 A 26 LYS H H 1 8.302 0.000 A 26 LYS HA H 1 4.006 0.000 A 26 LYS HBy H 1 1.994 0.000 A 26 LYS HBx H 1 1.650 0.000 A 26 LYS HDx H 1 1.442 0.000 A 26 LYS HDy H 1 1.442 0.000 A 26 LYS HEx H 1 2.972 0.000 A 26 LYS HEy H 1 2.972 0.000 A 26 LYS HGy H 1 1.302 0.000 A 26 LYS HGx H 1 1.205 0.000 A 26 LYS HZ1 H 1 7.481 0.000 A 26 LYS HZ2 H 1 7.481 0.000 A 26 LYS HZ3 H 1 7.481 0.000 A 26 LYS CA C 13 53.659 0.000 A 26 LYS CB C 13 26.465 0.000 A 26 LYS CD C 13 26.296 0.000 A 26 LYS CG C 13 21.930 0.000 A 27 VAL H H 1 6.544 0.000 A 27 VAL HA H 1 4.880 0.000 A 27 VAL HB H 1 1.514 0.000 A 27 VAL HGx% H 1 0.736 0.000 A 27 VAL HGy% H 1 0.593 0.000 A 27 VAL CA C 13 56.164 0.000 A 27 VAL CB C 13 33.685 0.000 A 27 VAL CGy C 13 18.627 0.000 A 27 VAL CGx C 13 15.629 0.000 A 28 CYS H H 1 8.037 0.000 A 28 CYS HA H 1 5.156 0.000 A 28 CYS HBy H 1 3.154 0.000 A 28 CYS HBx H 1 2.644 0.000 A 28 CYS CA C 13 53.337 0.000 A 28 CYS CB C 13 37.939 0.000 A 29 VAL H H 1 9.719 0.000 A 29 VAL HA H 1 4.663 0.000 A 29 VAL HB H 1 2.340 0.000 A 29 VAL HGx% H 1 0.958 0.000 A 29 VAL HGy% H 1 0.897 0.000 A 29 VAL CB C 13 33.181 0.000 A 29 VAL CGy C 13 18.665 0.000 A 29 VAL CGx C 13 15.829 0.000 A 30 LYS H H 1 8.615 0.000 A 30 LYS HA H 1 4.227 0.000 A 30 LYS HBy H 1 1.825 0.000 A 30 LYS HBx H 1 1.698 0.000 A 30 LYS HEx H 1 2.988 0.000 A 30 LYS HEy H 1 2.988 0.000 A 30 LYS HGx H 1 1.495 0.000 A 30 LYS HGy H 1 1.495 0.000 A 30 LYS CA C 13 55.314 0.000 A 30 LYS CB C 13 30.103 0.000 A 30 LYS CG C 13 22.089 0.000 A 31 GLY H H 1 8.172 0.000 A 31 GLY HAy H 1 3.864 0.000 A 31 GLY HAx H 1 3.718 0.000 A 31 GLY CA C 13 42.243 0.000 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 8 ILE H A 28 CYS HBy 1.0 . 3.70 2 2 A 22 ASP HBx A 25 ARG HBx 1.0 . 3.22 3 3 A 21 CYS H A 21 CYS HBx 1.0 . 3.10 4 4 A 11 ASN HA A 12 ASP H 1.0 . 3.88 5 5 A 11 ASN HA A 11 ASN H 1.0 . 3.58 6 6 A 11 ASN HA A 11 ASN HBx 1.0 . 2.85 7 6 A 11 ASN HA A 11 ASN HBy 1.0 . 2.85 8 7 A 2 TYR HBx A 3 CYS H 1.0 . 4.52 9 8 A 2 TYR HBx A 2 TYR H 1.0 . 3.54 10 9 A 22 ASP HBy A 27 VAL H 1.0 . 3.92 11 10 A 22 ASP HBy A 22 ASP H 1.0 . 2.90 12 11 A 18 GLY H A 18 GLY HAx 1.0 . 2.90 13 12 A 18 GLY HAx A 19 LEU H 1.0 . 4.45 14 13 A 10 CYS H A 10 CYS HBx 1.0 . 4.02 15 14 A 18 GLY H A 17 SER HBx 1.0 . 3.73 16 14 A 18 GLY H A 17 SER HBy 1.0 . 3.73 17 15 A 17 SER H A 17 SER HBx 1.0 . 2.90 18 15 A 17 SER HBy A 17 SER H 1.0 . 2.90 19 16 A 21 CYS H A 21 CYS HA 1.0 . 4.19 20 17 A 22 ASP H A 21 CYS HA 1.0 . 3.32 21 18 A 13 ILE H A 13 ILE HG1y 1.0 . 5.50 22 19 A 22 ASP HBx A 26 LYS H 1.0 . 3.51 23 20 A 22 ASP HBx A 27 VAL H 1.0 . 2.99 24 21 A 22 ASP HBx A 22 ASP H 1.0 . 3.02 25 22 A 22 ASP HBx A 25 ARG H 1.0 . 3.69 26 23 A 5 THR H A 8 ILE HG2% 1.0 . 3.92 27 24 A 8 ILE HG2% A 9 LYS H 1.0 . 2.97 28 25 A 8 ILE H A 8 ILE HG2% 1.0 . 3.92 29 26 A 23 SER HA A 24 LYS H 1.0 . 3.98 30 27 A 23 SER HA A 23 SER H 1.0 . 3.08 31 28 A 7 GLY H A 28 CYS H 1.0 . 4.69 32 29 A 3 CYS H A 3 CYS HA 1.0 . 3.95 33 30 A 3 CYS HA A 4 ALA H 1.0 . 3.70 34 31 A 17 SER H A 16 CYS HBy 1.0 . 3.01 35 32 A 16 CYS HBy A 16 CYS H 1.0 . 4.03 36 33 A 22 ASP HBy A 29 VAL HGy% 1.0 . 3.08 37 34 A 22 ASP HBx A 29 VAL HGy% 1.0 . 4.19 38 35 A 29 VAL HGy% A 20 LYS H 1.0 . 3.88 39 36 A 29 VAL HGy% A 29 VAL H 1.0 . 2.91 40 37 A 22 ASP H A 29 VAL HGy% 1.0 . 3.94 41 38 A 29 VAL HGy% A 29 VAL HB 1.0 . 2.77 42 39 A 29 VAL HGy% A 30 LYS H 1.0 . 4.17 43 40 A 26 LYS H A 25 ARG HA 1.0 . 4.38 44 41 A 25 ARG HBx A 25 ARG HA 1.0 . 3.52 45 42 A 25 ARG HA A 25 ARG HBy 1.0 . 3.22 46 43 A 25 ARG H A 25 ARG HA 1.0 . 3.46 47 44 A 9 LYS H A 9 LYS HGx 1.0 . 3.78 48 45 A 24 LYS H A 24 LYS HBx 1.0 . 2.88 49 45 A 24 LYS H A 24 LYS HBy 1.0 . 2.88 50 46 A 25 ARG H A 24 LYS HBx 1.0 . 3.14 51 46 A 25 ARG H A 24 LYS HBy 1.0 . 3.14 52 47 A 12 ASP H A 12 ASP HBx 1.0 . 3.64 53 48 A 26 LYS H A 26 LYS HA 1.0 . 2.67 54 49 A 27 VAL H A 26 LYS HA 1.0 . 3.08 55 50 A 26 LYS H A 26 LYS HGx 1.0 . 3.66 56 51 A 11 ASN H A 9 LYS HBy 1.0 . 3.73 57 52 A 9 LYS H A 9 LYS HBy 1.0 . 3.70 58 53 A 10 CYS H A 9 LYS HBy 1.0 . 3.83 59 54 A 28 CYS H A 27 VAL HGx% 1.0 . 3.86 60 55 A 27 VAL HGx% A 7 GLY HAx 1.0 . 3.82 61 56 A 27 VAL H A 27 VAL HGx% 1.0 . 3.82 62 57 A 26 LYS H A 26 LYS HBy 1.0 . 4.39 63 58 A 27 VAL H A 26 LYS HBy 1.0 . 4.90 64 59 A 5 THR HA A 19 LEU HDx% 1.0 . 3.16 65 60 A 5 THR H A 5 THR HA 1.0 . 3.52 66 61 A 5 THR HA A 6 LYS H 1.0 . 3.12 67 62 A 8 ILE H A 8 ILE HG1x 1.0 . 2.99 68 63 A 16 CYS HBy A 19 LEU HDx% 1.0 . 4.35 69 64 A 20 LYS H A 19 LEU HDx% 1.0 . 5.50 70 65 A 4 ALA H A 13 ILE HD1% 1.0 . 4.48 71 66 A 28 CYS HBy A 19 LEU HDx% 1.0 . 3.78 72 67 A 19 LEU HDx% A 15 CYS HBy 1.0 . 3.67 73 68 A 19 LEU HDx% A 28 CYS HBx 1.0 . 2.95 74 69 A 19 LEU HDx% A 16 CYS HBx 1.0 . 3.04 75 70 A 16 CYS H A 19 LEU HDx% 1.0 . 3.38 76 71 A 19 LEU HDx% A 6 LYS HA 1.0 . 3.36 77 72 A 19 LEU HDx% A 6 LYS H 1.0 . 3.36 78 73 A 19 LEU H A 19 LEU HDx% 1.0 . 4.52 79 74 A 8 ILE HG2% A 4 ALA HA 1.0 . 3.84 80 75 A 5 THR H A 4 ALA HA 1.0 . 2.62 81 76 A 4 ALA H A 4 ALA HA 1.0 . 3.83 82 77 A 20 LYS H A 19 LEU HBy 1.0 . 4.24 83 78 A 19 LEU HBy A 15 CYS HBx 1.0 . 3.43 84 79 A 15 CYS HBy A 19 LEU HBy 1.0 . 2.67 85 80 A 28 CYS HBx A 19 LEU HBy 1.0 . 3.83 86 81 A 16 CYS H A 19 LEU HBy 1.0 . 4.74 87 82 A 19 LEU H A 19 LEU HBy 1.0 . 3.13 88 83 A 15 CYS HBx A 15 CYS HA 1.0 . 3.42 89 84 A 4 ALA H A 15 CYS HA 1.0 . 3.16 90 85 A 15 CYS HA A 15 CYS H 1.0 . 3.59 91 86 A 15 CYS HBy A 15 CYS HA 1.0 . 3.20 92 87 A 16 CYS H A 15 CYS HA 1.0 . 2.64 93 88 A 20 LYS H A 20 LYS HBx 1.0 . 3.29 94 88 A 20 LYS H A 20 LYS HBy 1.0 . 3.29 95 89 A 21 CYS H A 20 LYS HBx 1.0 . 3.26 96 89 A 21 CYS H A 20 LYS HBy 1.0 . 3.26 97 90 A 5 THR H A 8 ILE HB 1.0 . 3.53 98 91 A 9 LYS H A 8 ILE HB 1.0 . 4.46 99 92 A 8 ILE H A 8 ILE HB 1.0 . 2.74 100 93 A 3 CYS H A 3 CYS HBy 1.0 . 3.96 101 94 A 4 ALA H A 3 CYS HBy 1.0 . 3.98 102 95 A 16 CYS H A 3 CYS HBy 1.0 . 4.97 103 96 A 13 ILE HD1% A 14 HIS H 1.0 . 4.31 104 97 A 30 LYS H A 30 LYS HBy 1.0 . 3.31 105 98 A 20 LYS H A 29 VAL H 1.0 . 3.31 106 99 A 12 ASP H A 12 ASP HA 1.0 . 3.61 107 100 A 13 ILE H A 12 ASP HA 1.0 . 4.17 108 101 A 29 VAL H A 29 VAL HA 1.0 . 3.35 109 102 A 29 VAL HB A 29 VAL HA 1.0 . 3.03 110 103 A 30 LYS H A 29 VAL HA 1.0 . 3.01 111 104 A 14 HIS H A 13 ILE HG1x 1.0 . 3.90 112 105 A 13 ILE H A 13 ILE HG1x 1.0 . 5.50 113 106 A 28 CYS H A 27 VAL HA 1.0 . 2.77 114 107 A 27 VAL HA A 27 VAL HB 1.0 . 3.06 115 108 A 27 VAL H A 27 VAL HA 1.0 . 3.57 116 109 A 9 LYS H A 27 VAL HA 1.0 . 5.27 117 110 A 10 CYS H A 27 VAL HA 1.0 . 3.32 118 111 A 21 CYS H A 21 CYS HBy 1.0 . 3.16 119 112 A 3 CYS H A 2 TYR HBy 1.0 . 4.56 120 113 A 2 TYR H A 2 TYR HBy 1.0 . 3.58 121 114 A 22 ASP HBy A 22 ASP HA 1.0 . 3.04 122 115 A 22 ASP HBx A 22 ASP HA 1.0 . 3.53 123 116 A 22 ASP H A 22 ASP HA 1.0 . 3.55 124 117 A 23 SER H A 22 ASP HA 1.0 . 2.68 125 118 A 28 CYS H A 9 LYS HA 1.0 . 4.35 126 119 A 9 LYS HBy A 9 LYS HA 1.0 . 3.41 127 120 A 9 LYS H A 9 LYS HA 1.0 . 3.54 128 121 A 10 CYS H A 9 LYS HA 1.0 . 2.58 129 122 A 9 LYS HA A 9 LYS HBx 1.0 . 3.60 130 123 A 18 GLY H A 18 GLY HAy 1.0 . 3.44 131 124 A 19 LEU H A 18 GLY HAy 1.0 . 4.45 132 125 A 14 HIS H A 13 ILE HA 1.0 . 2.77 133 126 A 13 ILE HA A 13 ILE HG2% 1.0 . 3.97 134 127 A 13 ILE H A 13 ILE HA 1.0 . 3.55 135 128 A 6 LYS HA A 6 LYS HGx 1.0 . 3.14 136 128 A 6 LYS HA A 6 LYS HGy 1.0 . 3.14 137 129 A 10 CYS HBx A 10 CYS HA 1.0 . 2.96 138 130 A 12 ASP H A 10 CYS HA 1.0 . 4.54 139 131 A 11 ASN H A 10 CYS HA 1.0 . 3.62 140 132 A 10 CYS HA A 10 CYS HBy 1.0 . 3.13 141 133 A 10 CYS H A 10 CYS HA 1.0 . 3.43 142 134 A 13 ILE H A 10 CYS HA 1.0 . 3.84 143 135 A 18 GLY H A 17 SER HA 1.0 . 2.60 144 136 A 17 SER H A 17 SER HA 1.0 . 3.48 145 137 A 19 LEU H A 17 SER HA 1.0 . 3.94 146 138 A 24 LYS H A 24 LYS HA 1.0 . 3.57 147 139 A 25 ARG H A 24 LYS HA 1.0 . 4.90 148 140 A 15 CYS HBx A 15 CYS H 1.0 . 3.02 149 141 A 24 LYS H A 23 SER HBx 1.0 . 4.43 150 141 A 24 LYS H A 23 SER HBy 1.0 . 4.43 151 142 A 23 SER H A 23 SER HBx 1.0 . 3.52 152 142 A 23 SER H A 23 SER HBy 1.0 . 3.52 153 143 A 3 CYS H A 2 TYR H 1.0 . 4.11 154 144 A 16 CYS HBy A 16 CYS HA 1.0 . 3.12 155 145 A 3 CYS HBy A 16 CYS HA 1.0 . 3.49 156 146 A 17 SER H A 16 CYS HA 1.0 . 2.85 157 147 A 16 CYS HBx A 16 CYS HA 1.0 . 3.69 158 148 A 16 CYS H A 16 CYS HA 1.0 . 3.56 159 149 A 16 CYS HA A 3 CYS HBx 1.0 . 3.15 160 150 A 22 ASP HBy A 29 VAL HGx% 1.0 . 3.15 161 151 A 22 ASP HBx A 29 VAL HGx% 1.0 . 3.94 162 152 A 29 VAL H A 29 VAL HGx% 1.0 . 3.61 163 153 A 22 ASP H A 29 VAL HGx% 1.0 . 4.45 164 154 A 29 VAL HB A 29 VAL HGx% 1.0 . 2.73 165 155 A 30 LYS H A 29 VAL HGx% 1.0 . 4.41 166 156 A 9 LYS H A 9 LYS HGy 1.0 . 3.44 167 157 A 26 LYS H A 25 ARG H 1.0 . 3.01 168 158 A 26 LYS H A 26 LYS HGy 1.0 . 4.62 169 159 A 25 ARG HBx A 26 LYS H 1.0 . 3.96 170 160 A 25 ARG HBx A 25 ARG H 1.0 . 3.01 171 161 A 25 ARG HBx A 25 ARG HDy 1.0 . 4.23 172 162 A 28 CYS H A 27 VAL HB 1.0 . 3.14 173 163 A 7 GLY HAx A 27 VAL HB 1.0 . 3.68 174 164 A 27 VAL H A 27 VAL HB 1.0 . 4.94 175 165 A 9 LYS H A 9 LYS HDx 1.0 . 4.06 176 165 A 9 LYS H A 9 LYS HDy 1.0 . 4.06 177 166 A 19 LEU HBy A 19 LEU HA 1.0 . 3.43 178 167 A 20 LYS H A 19 LEU HA 1.0 . 2.75 179 168 A 19 LEU HA A 19 LEU HG 1.0 . 3.72 180 169 A 19 LEU HA A 19 LEU HDy% 1.0 . 3.20 181 170 A 19 LEU H A 19 LEU HA 1.0 . 3.49 182 171 A 19 LEU HA A 19 LEU HBx 1.0 . 2.78 183 172 A 19 LEU HA A 31 GLY H 1.0 . 3.27 184 173 A 19 LEU H A 19 LEU HG 1.0 . 3.97 185 174 A 7 GLY H A 6 LYS HGx 1.0 . 3.64 186 174 A 7 GLY H A 6 LYS HGy 1.0 . 3.64 187 175 A 4 ALA H A 16 CYS H 1.0 . 4.02 188 176 A 2 TYR H A 1 GLY HAx 1.0 . 3.25 189 176 A 2 TYR H A 1 GLY HAy 1.0 . 3.25 190 177 A 31 GLY H A 31 GLY HAy 1.0 . 3.62 191 178 A 8 ILE H A 7 GLY HAx 1.0 . 4.31 192 179 A 7 GLY H A 7 GLY HAx 1.0 . 2.84 193 180 A 31 GLY H A 30 LYS HGx 1.0 . 4.14 194 180 A 31 GLY H A 30 LYS HGy 1.0 . 4.14 195 181 A 30 LYS H A 30 LYS HGx 1.0 . 4.55 196 181 A 30 LYS H A 30 LYS HGy 1.0 . 4.55 197 182 A 25 ARG HDx A 25 ARG HGx 1.0 . 3.02 198 182 A 25 ARG HGy A 25 ARG HDx 1.0 . 3.02 199 183 A 25 ARG H A 25 ARG HGx 1.0 . 3.08 200 183 A 25 ARG H A 25 ARG HGy 1.0 . 3.08 201 184 A 25 ARG HDy A 25 ARG HGx 1.0 . 3.06 202 184 A 25 ARG HDy A 25 ARG HGy 1.0 . 3.06 203 185 A 15 CYS H A 14 HIS HBx 1.0 . 3.21 204 185 A 15 CYS H A 14 HIS HBy 1.0 . 3.21 205 186 A 14 HIS H A 14 HIS HBx 1.0 . 2.93 206 186 A 14 HIS H A 14 HIS HBy 1.0 . 2.93 207 187 A 19 LEU HBy A 19 LEU HDy% 1.0 . 4.11 208 188 A 20 LYS H A 19 LEU HDy% 1.0 . 4.27 209 189 A 29 VAL H A 19 LEU HDy% 1.0 . 4.83 210 190 A 28 CYS HBx A 19 LEU HDy% 1.0 . 3.96 211 191 A 6 LYS HA A 19 LEU HDy% 1.0 . 3.64 212 192 A 6 LYS H A 19 LEU HDy% 1.0 . 4.53 213 193 A 19 LEU H A 19 LEU HDy% 1.0 . 4.61 214 194 A 19 LEU HDy% A 31 GLY H 1.0 . 4.65 215 195 A 30 LYS H A 19 LEU HDy% 1.0 . 4.13 216 196 A 28 CYS HBy A 28 CYS H 1.0 . 2.97 217 197 A 28 CYS HBy A 7 GLY H 1.0 . 3.55 218 198 A 7 GLY H A 7 GLY HAy 1.0 . 3.29 219 199 A 14 HIS H A 13 ILE HB 1.0 . 4.35 220 200 A 13 ILE H A 13 ILE HB 1.0 . 3.60 221 201 A 19 LEU HDy% A 30 LYS HA 1.0 . 3.01 222 202 A 31 GLY H A 30 LYS HA 1.0 . 2.83 223 203 A 30 LYS H A 30 LYS HA 1.0 . 3.57 224 204 A 15 CYS HBy A 15 CYS H 1.0 . 4.13 225 205 A 16 CYS H A 15 CYS HBy 1.0 . 3.39 226 206 A 11 ASN HD2x A 11 ASN HBx 1.0 . 4.31 227 206 A 11 ASN HBy A 11 ASN HD2x 1.0 . 4.31 228 207 A 12 ASP H A 11 ASN HBx 1.0 . 3.46 229 207 A 12 ASP H A 11 ASN HBy 1.0 . 3.46 230 208 A 11 ASN H A 11 ASN HBx 1.0 . 3.17 231 208 A 11 ASN H A 11 ASN HBy 1.0 . 3.17 232 209 A 11 ASN HD2y A 11 ASN HBx 1.0 . 3.47 233 209 A 11 ASN HBy A 11 ASN HD2y 1.0 . 3.47 234 210 A 27 VAL H A 26 LYS H 1.0 . 3.45 235 211 A 27 VAL H A 22 ASP H 1.0 . 3.64 236 212 A 28 CYS H A 28 CYS HBx 1.0 . 3.88 237 213 A 29 VAL H A 28 CYS HBx 1.0 . 3.83 238 214 A 28 CYS HBx A 6 LYS HA 1.0 . 3.71 239 215 A 5 THR HA A 5 THR HG2% 1.0 . 2.95 240 216 A 10 CYS HA A 4 ALA HB% 1.0 . 4.04 241 217 A 5 THR H A 4 ALA HB% 1.0 . 3.26 242 218 A 4 ALA H A 4 ALA HB% 1.0 . 2.84 243 219 A 15 CYS H A 4 ALA HB% 1.0 . 4.95 244 220 A 15 CYS HBy A 19 LEU HBx 1.0 . 3.18 245 221 A 28 CYS HBx A 19 LEU HBx 1.0 . 2.89 246 222 A 16 CYS H A 5 THR HG2% 1.0 . 3.84 247 223 A 6 LYS H A 5 THR HG2% 1.0 . 3.74 248 224 A 5 THR H A 8 ILE HG1y 1.0 . 3.55 249 225 A 8 ILE H A 8 ILE HG1y 1.0 . 3.77 250 226 A 3 CYS H A 2 TYR HA 1.0 . 2.82 251 227 A 2 TYR H A 2 TYR HA 1.0 . 3.47 252 228 A 15 CYS H A 14 HIS HA 1.0 . 3.44 253 229 A 14 HIS H A 14 HIS HA 1.0 . 4.10 254 230 A 6 LYS H A 6 LYS HBx 1.0 . 2.68 255 230 A 6 LYS H A 6 LYS HBy 1.0 . 2.68 256 231 A 28 CYS H A 28 CYS HA 1.0 . 3.60 257 232 A 20 LYS H A 28 CYS HA 1.0 . 5.00 258 233 A 29 VAL H A 28 CYS HA 1.0 . 2.55 259 234 A 28 CYS HBx A 28 CYS HA 1.0 . 3.18 260 235 A 22 ASP H A 28 CYS HA 1.0 . 4.16 261 236 A 24 LYS H A 24 LYS HDx 1.0 . 4.62 262 236 A 24 LYS H A 24 LYS HDy 1.0 . 4.62 263 237 A 5 THR H A 8 ILE HD1% 1.0 . 3.89 264 238 A 9 LYS H A 8 ILE HD1% 1.0 . 3.89 265 239 A 8 ILE H A 8 ILE HD1% 1.0 . 3.92 266 240 A 24 LYS H A 23 SER H 1.0 . 3.52 267 241 A 25 ARG H A 24 LYS H 1.0 . 2.96 268 242 A 17 SER H A 16 CYS HBx 1.0 . 4.07 269 243 A 16 CYS H A 16 CYS HBx 1.0 . 3.02 270 244 A 8 ILE H A 28 CYS H 1.0 . 3.78 271 245 A 8 ILE H A 7 GLY H 1.0 . 3.32 272 246 A 24 LYS H A 24 LYS HGy 1.0 . 3.99 273 247 A 13 ILE HG1y A 14 HIS H 1.0 . 3.78 274 248 A 29 VAL H A 29 VAL HB 1.0 . 4.54 275 249 A 29 VAL HB A 30 LYS H 1.0 . 2.89 276 250 A 9 LYS H A 9 LYS HBx 1.0 . 2.97 277 251 A 28 CYS H A 27 VAL HGy% 1.0 . 4.14 278 252 A 7 GLY HAx A 27 VAL HGy% 1.0 . 3.90 279 253 A 27 VAL H A 27 VAL HGy% 1.0 . 3.23 280 254 A 22 ASP H A 27 VAL HGy% 1.0 . 5.44 281 255 A 25 ARG HBy A 27 VAL HGy% 1.0 . 3.33 282 256 A 26 LYS H A 26 LYS HBx 1.0 . 3.92 283 257 A 27 VAL H A 26 LYS HBx 1.0 . 4.68 284 258 A 25 ARG H A 25 ARG HBy 1.0 . 4.12 285 259 A 25 ARG HBy A 25 ARG HDy 1.0 . 4.32 286 260 A 8 ILE H A 6 LYS HA 1.0 . 4.22 287 261 A 6 LYS H A 6 LYS HA 1.0 . 3.32 288 262 A 7 GLY H A 6 LYS HA 1.0 . 2.54 289 263 A 18 GLY H A 19 LEU H 1.0 . 3.21 290 264 A 20 LYS H A 19 LEU HBx 1.0 . 2.92 291 265 A 29 VAL H A 19 LEU HBx 1.0 . 3.88 292 266 A 19 LEU H A 19 LEU HBx 1.0 . 3.81 293 267 A 20 LYS H A 20 LYS HGx 1.0 . 3.60 294 267 A 20 LYS H A 20 LYS HGy 1.0 . 3.60 295 268 A 3 CYS H A 3 CYS HBx 1.0 . 4.77 296 269 A 4 ALA H A 3 CYS HBx 1.0 . 3.26 297 270 A 16 CYS H A 3 CYS HBx 1.0 . 3.69 298 271 A 13 ILE HG2% A 10 CYS HA 1.0 . 3.53 299 272 A 4 ALA H A 13 ILE HG2% 1.0 . 3.84 300 273 A 14 HIS H A 13 ILE HG2% 1.0 . 3.97 301 274 A 13 ILE H A 13 ILE HG2% 1.0 . 3.73 302 275 A 30 LYS H A 30 LYS HBx 1.0 . 3.02 303 276 A 12 ASP H A 13 ILE H 1.0 . 2.95 304 277 A 20 LYS H A 20 LYS HA 1.0 . 3.61 305 278 A 21 CYS H A 20 LYS HA 1.0 . 2.75 306 279 A 12 ASP H A 12 ASP HBy 1.0 . 3.95 307 280 A 8 ILE HB A 8 ILE HA 1.0 . 3.42 308 281 A 9 LYS H A 8 ILE HA 1.0 . 2.68 309 282 A 8 ILE H A 8 ILE HA 1.0 . 3.64 310 283 A 8 ILE H A 7 GLY HAy 1.0 . 3.90 311 284 A 5 THR H A 5 THR HB 1.0 . 3.50 312 285 A 6 LYS H A 5 THR HB 1.0 . 3.12 313 286 A 16 CYS H A 5 THR HA 1.0 . 4.43 314 287 A 28 CYS HBy A 29 VAL H 1.0 . 5.50 315 288 A 5 THR HA A 5 THR HB 1.0 . 3.16 316 289 A 5 THR H A 5 THR HG2% 1.0 . 3.20 317 290 A 7 GLY H A 6 LYS HBx 1.0 . 4.01 318 290 A 7 GLY H A 6 LYS HBy 1.0 . 4.01 319 291 A 25 ARG HBx A 27 VAL H 1.0 . 3.77 320 292 A 10 CYS H A 9 LYS HDx 1.0 . 4.24 321 292 A 10 CYS H A 9 LYS HDy 1.0 . 4.24 322 293 A 10 CYS H A 9 LYS HBx 1.0 . 4.77 323 294 A 15 CYS HBx A 19 LEU HBx 1.0 . 3.44 324 295 A 16 CYS HBx A 19 LEU HG 1.0 . 4.37 325 296 A 4 ALA H A 13 ILE HG1x 1.0 . 4.55 326 297 A 26 LYS H A 23 SER HBx 1.0 . 5.15 327 297 A 26 LYS H A 23 SER HBy 1.0 . 5.15 328 298 A 11 ASN H A 9 LYS HBx 1.0 . 5.02 329 299 A 12 ASP H A 11 ASN H 1.0 . 3.17 330 300 A 26 LYS H A 24 LYS H 1.0 . 4.35 stop_ save_