data_nef_c30323_5wov 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 BMRB 30324 PDB 5WOV 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 4 CYS SG 1 21 CYS SG 1 11 CYS SG 1 23 CYS SG 1 17 CYS SG 1 29 CYS SG 1 34 ASP C 1 1 GLY 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 cyclic -H2 false 2 A 2 GLY middle . false 3 A 3 VAL middle . . 4 A 4 CYS middle -HG . 5 A 5 PRO middle . false 6 A 6 LYS middle . . 7 A 7 ILE middle . . 8 A 8 LEU middle . . 9 A 9 GLN middle . . 10 A 10 ARG middle . . 11 A 11 CYS middle -HG . 12 A 12 ARG middle . . 13 A 13 ARG middle . . 14 A 14 ASP middle . . 15 A 15 SER middle . . 16 A 16 ASP middle . . 17 A 17 CYS middle -HG . 18 A 18 PRO middle . false 19 A 19 GLY middle . false 20 A 20 ALA middle . . 21 A 21 CYS middle -HG . 22 A 22 ILE middle . . 23 A 23 CYS middle -HG . 24 A 24 ARG middle . . 25 A 25 GLY middle . false 26 A 26 ASN middle . . 27 A 27 GLY middle . false 28 A 28 TYR middle . . 29 A 29 CYS middle -HG . 30 A 30 GLY middle . false 31 A 31 SER middle . . 32 A 32 GLY middle . false 33 A 33 SER middle . . 34 A 34 ASP cyclic -OXT . 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 8.212 0.000 A 1 GLY HAy H 1 4.126 0.003 A 1 GLY HAx H 1 3.845 0.000 A 1 GLY CA C 13 47.865 0.009 A 1 GLY N N 15 108.389 0.000 A 2 GLY H H 1 8.113 0.000 A 2 GLY HAx H 1 3.954 0.000 A 2 GLY HAy H 1 3.962 0.000 A 2 GLY CA C 13 47.049 0.000 A 2 GLY N N 15 108.131 0.000 A 3 VAL H H 1 8.468 0.000 A 3 VAL HA H 1 4.059 0.000 A 3 VAL HB H 1 1.992 0.006 A 3 VAL HGx% H 1 0.949 0.001 A 3 VAL HGy% H 1 0.849 0.000 A 3 VAL CA C 13 65.053 0.000 A 3 VAL CB C 13 35.365 0.000 A 3 VAL CGx C 13 23.344 0.000 A 3 VAL CGy C 13 23.602 0.000 A 3 VAL N N 15 121.089 0.000 A 4 CYS H H 1 8.687 0.001 A 4 CYS HA H 1 5.142 0.001 A 4 CYS HBy H 1 2.907 0.002 A 4 CYS HBx H 1 2.898 0.000 A 4 CYS CA C 13 54.879 0.000 A 4 CYS CB C 13 43.714 0.000 A 4 CYS N N 15 126.567 0.000 A 5 PRO HA H 1 4.449 0.000 A 5 PRO HBx H 1 2.318 0.000 A 5 PRO HBy H 1 2.331 0.000 A 5 PRO HDy H 1 3.889 0.001 A 5 PRO HDx H 1 3.835 0.001 A 5 PRO HGx H 1 1.938 0.000 A 5 PRO HGy H 1 2.042 0.000 A 5 PRO CA C 13 65.851 0.000 A 5 PRO CB C 13 35.185 0.000 A 5 PRO CD C 13 54.112 0.005 A 5 PRO CG C 13 29.849 0.003 A 6 LYS HA H 1 4.416 0.000 A 6 LYS HBx H 1 1.655 0.001 A 6 LYS HBy H 1 1.877 0.001 A 6 LYS HDx H 1 1.699 0.000 A 6 LYS HDy H 1 1.700 0.001 A 6 LYS HEy H 1 3.016 0.000 A 6 LYS HEx H 1 3.006 0.000 A 6 LYS HGx H 1 1.358 0.000 A 6 LYS HGy H 1 1.476 0.001 A 6 LYS HZ1 H 1 7.545 0.006 A 6 LYS HZ2 H 1 7.545 0.006 A 6 LYS HZ3 H 1 7.545 0.006 A 6 LYS CA C 13 61.613 0.000 A 6 LYS CB C 13 33.994 0.006 A 6 LYS CD C 13 31.491 0.000 A 6 LYS CE C 13 44.612 0.000 A 6 LYS CG C 13 27.472 0.000 A 6 LYS NZ N 15 126.786 0.000 A 7 ILE H H 1 7.653 0.001 A 7 ILE HA H 1 4.424 0.001 A 7 ILE HB H 1 1.891 0.000 A 7 ILE HD1% H 1 0.857 0.000 A 7 ILE HG1x H 1 1.130 0.000 A 7 ILE HG1y H 1 1.346 0.000 A 7 ILE HG2% H 1 0.881 0.002 A 7 ILE CA C 13 62.905 0.000 A 7 ILE CB C 13 42.985 0.000 A 7 ILE CD1 C 13 16.446 0.000 A 7 ILE CG1 C 13 29.330 0.000 A 7 ILE CG2 C 13 20.418 0.000 A 7 ILE N N 15 120.283 0.000 A 8 LEU H H 1 8.673 0.003 A 8 LEU HA H 1 4.486 0.003 A 8 LEU HBx H 1 1.558 0.000 A 8 LEU HBy H 1 1.719 0.003 A 8 LEU HDx% H 1 0.767 0.005 A 8 LEU HDy% H 1 0.755 0.000 A 8 LEU HG H 1 1.494 0.000 A 8 LEU CA C 13 57.057 0.000 A 8 LEU CB C 13 44.168 0.003 A 8 LEU CDy C 13 27.358 0.000 A 8 LEU CDx C 13 26.414 0.000 A 8 LEU CG C 13 29.821 0.000 A 8 LEU N N 15 126.149 0.000 A 9 GLN H H 1 8.700 0.000 A 9 GLN HA H 1 4.574 0.002 A 9 GLN HBy H 1 1.997 0.004 A 9 GLN HBx H 1 1.745 0.003 A 9 GLN HE2y H 1 7.512 0.001 A 9 GLN HE2x H 1 6.994 0.001 A 9 GLN HGx H 1 2.366 0.002 A 9 GLN HGy H 1 2.469 0.004 A 9 GLN CA C 13 57.947 0.000 A 9 GLN CB C 13 34.393 0.003 A 9 GLN CG C 13 36.380 0.006 A 9 GLN NE2 N 15 112.568 0.002 A 10 ARG H H 1 8.735 0.002 A 10 ARG HA H 1 4.476 0.002 A 10 ARG HBx H 1 1.610 0.004 A 10 ARG HBy H 1 1.688 0.001 A 10 ARG HDx H 1 2.883 0.002 A 10 ARG HDy H 1 2.973 0.007 A 10 ARG HE H 1 6.964 0.001 A 10 ARG HGx H 1 1.209 0.000 A 10 ARG HGy H 1 1.211 0.002 A 10 ARG CA C 13 58.398 0.000 A 10 ARG CB C 13 33.486 0.000 A 10 ARG CD C 13 45.415 0.000 A 10 ARG CG C 13 30.493 0.000 A 10 ARG N N 15 127.631 0.000 A 10 ARG NE N 15 119.688 0.000 A 11 CYS H H 1 8.400 0.001 A 11 CYS HA H 1 4.873 0.002 A 11 CYS HBx H 1 3.026 0.006 A 11 CYS HBy H 1 3.212 0.001 A 11 CYS CA C 13 56.748 0.000 A 11 CYS CB C 13 50.658 0.016 A 11 CYS N N 15 115.759 0.000 A 12 ARG H H 1 9.446 0.001 A 12 ARG HA H 1 4.470 0.002 A 12 ARG HBx H 1 1.752 0.000 A 12 ARG HBy H 1 1.900 0.003 A 12 ARG HDx H 1 3.198 0.000 A 12 ARG HDy H 1 3.211 0.001 A 12 ARG HE H 1 7.306 0.000 A 12 ARG HGx H 1 1.646 0.000 A 12 ARG HGy H 1 1.649 0.000 A 12 ARG CA C 13 58.854 0.000 A 12 ARG CB C 13 34.917 0.003 A 12 ARG CD C 13 45.624 0.000 A 12 ARG CG C 13 29.762 0.000 A 12 ARG N N 15 117.894 0.000 A 12 ARG NE N 15 116.636 0.000 A 13 ARG H H 1 8.085 0.001 A 13 ARG HA H 1 4.747 0.003 A 13 ARG HBx H 1 1.812 0.002 A 13 ARG HBy H 1 2.034 0.003 A 13 ARG HDy H 1 3.149 0.003 A 13 ARG HE H 1 7.159 0.001 A 13 ARG HGy H 1 1.583 0.002 A 13 ARG HGx H 1 1.467 0.002 A 13 ARG CA C 13 56.426 0.000 A 13 ARG CB C 13 35.543 0.006 A 13 ARG CD C 13 46.040 0.000 A 13 ARG CG C 13 28.348 0.004 A 13 ARG N N 15 117.016 0.000 A 13 ARG NE N 15 119.472 0.000 A 14 ASP H H 1 9.312 0.003 A 14 ASP HA H 1 4.133 0.002 A 14 ASP HBy H 1 3.013 0.001 A 14 ASP HBx H 1 2.851 0.000 A 14 ASP CA C 13 60.965 0.000 A 14 ASP CB C 13 40.832 0.000 A 14 ASP N N 15 123.456 0.000 A 15 SER H H 1 8.193 0.003 A 15 SER HA H 1 4.303 0.000 A 15 SER HBx H 1 3.842 0.002 A 15 SER HBy H 1 4.125 0.006 A 15 SER CA C 13 62.689 0.000 A 15 SER CB C 13 64.865 0.006 A 15 SER N N 15 111.096 0.000 A 16 ASP H H 1 7.723 0.001 A 16 ASP HA H 1 4.635 0.005 A 16 ASP HBy H 1 3.058 0.000 A 16 ASP HBx H 1 3.042 0.000 A 16 ASP CA C 13 58.295 0.000 A 16 ASP CB C 13 44.941 0.000 A 16 ASP N N 15 120.416 0.000 A 17 CYS H H 1 8.073 0.002 A 17 CYS HA H 1 4.989 0.001 A 17 CYS HBx H 1 2.737 0.000 A 17 CYS HBy H 1 2.854 0.001 A 17 CYS CA C 13 54.805 0.000 A 17 CYS CB C 13 43.255 0.002 A 17 CYS N N 15 117.535 0.000 A 18 PRO HA H 1 4.642 0.002 A 18 PRO HBx H 1 1.946 0.005 A 18 PRO HBy H 1 2.323 0.000 A 18 PRO HDy H 1 3.873 0.001 A 18 PRO HDx H 1 3.424 0.001 A 18 PRO HGx H 1 2.027 0.001 A 18 PRO HGy H 1 2.111 0.002 A 18 PRO CA C 13 64.868 0.000 A 18 PRO CB C 13 35.131 0.000 A 18 PRO CD C 13 52.613 0.000 A 18 PRO CG C 13 30.111 0.000 A 19 GLY H H 1 8.484 0.001 A 19 GLY HAy H 1 3.845 0.000 A 19 GLY HAx H 1 3.790 0.000 A 19 GLY CA C 13 49.928 0.002 A 19 GLY N N 15 106.507 0.000 A 20 ALA H H 1 8.412 0.001 A 20 ALA HA H 1 4.498 0.006 A 20 ALA HB% H 1 1.409 0.001 A 20 ALA CA C 13 54.363 0.000 A 20 ALA CB C 13 21.029 0.000 A 20 ALA N N 15 125.076 0.000 A 21 CYS H H 1 8.231 0.002 A 21 CYS HA H 1 4.700 0.000 A 21 CYS HBx H 1 3.232 0.001 A 21 CYS HBy H 1 3.308 0.001 A 21 CYS CA C 13 58.739 0.000 A 21 CYS CB C 13 48.237 0.000 A 21 CYS N N 15 117.272 0.000 A 22 ILE H H 1 9.042 0.003 A 22 ILE HA H 1 4.426 0.001 A 22 ILE HB H 1 1.931 0.001 A 22 ILE HD1% H 1 0.829 0.002 A 22 ILE HG1x H 1 0.982 0.001 A 22 ILE HG1y H 1 1.095 0.001 A 22 ILE HG2% H 1 0.871 0.002 A 22 ILE CA C 13 58.321 0.000 A 22 ILE CB C 13 43.967 0.000 A 22 ILE CD1 C 13 17.011 0.000 A 22 ILE CG1 C 13 28.660 0.005 A 22 ILE CG2 C 13 22.087 0.000 A 22 ILE N N 15 113.188 0.000 A 23 CYS H H 1 8.943 0.001 A 23 CYS HA H 1 4.980 0.001 A 23 CYS HBy H 1 2.815 0.001 A 23 CYS HBx H 1 2.506 0.002 A 23 CYS CA C 13 57.626 0.000 A 23 CYS CB C 13 40.790 0.005 A 23 CYS N N 15 120.395 0.000 A 24 ARG H H 1 8.143 0.002 A 24 ARG HA H 1 4.347 0.001 A 24 ARG HBx H 1 2.072 0.002 A 24 ARG HBy H 1 2.526 0.002 A 24 ARG HDx H 1 3.261 0.001 A 24 ARG HDy H 1 3.269 0.003 A 24 ARG HE H 1 6.910 0.001 A 24 ARG HGy H 1 1.757 0.001 A 24 ARG HGx H 1 1.633 0.001 A 24 ARG CA C 13 59.074 0.000 A 24 ARG CB C 13 33.795 0.001 A 24 ARG CD C 13 45.936 0.000 A 24 ARG CG C 13 30.513 0.004 A 24 ARG N N 15 128.615 0.000 A 24 ARG NE N 15 118.194 0.000 A 25 GLY H H 1 8.899 0.001 A 25 GLY HAy H 1 3.945 0.000 A 25 GLY HAx H 1 3.944 0.001 A 25 GLY CA C 13 49.467 0.000 A 25 GLY N N 15 108.243 0.000 A 26 ASN H H 1 7.811 0.001 A 26 ASN HA H 1 4.722 0.004 A 26 ASN HBx H 1 2.880 0.002 A 26 ASN HBy H 1 3.342 0.001 A 26 ASN HD2y H 1 7.562 0.000 A 26 ASN HD2x H 1 6.596 0.002 A 26 ASN CA C 13 54.841 0.000 A 26 ASN CB C 13 39.628 0.004 A 26 ASN N N 15 115.744 0.000 A 26 ASN ND2 N 15 108.550 0.002 A 27 GLY H H 1 8.410 0.001 A 27 GLY HAx H 1 3.717 0.002 A 27 GLY HAy H 1 4.013 0.000 A 27 GLY CA C 13 48.990 0.006 A 27 GLY N N 15 107.308 0.000 A 28 TYR H H 1 7.306 0.003 A 28 TYR HA H 1 5.277 0.001 A 28 TYR HBy H 1 3.062 0.001 A 28 TYR HBx H 1 2.661 0.001 A 28 TYR HDx H 1 6.858 0.004 A 28 TYR HDy H 1 6.858 0.004 A 28 TYR HEx H 1 6.713 0.003 A 28 TYR HEy H 1 6.713 0.003 A 28 TYR CA C 13 59.768 0.000 A 28 TYR CB C 13 44.323 0.013 A 28 TYR N N 15 119.752 0.000 A 29 CYS H H 1 8.810 0.001 A 29 CYS HA H 1 5.393 0.001 A 29 CYS HBx H 1 2.831 0.001 A 29 CYS HBy H 1 3.168 0.000 A 29 CYS CA C 13 58.256 0.000 A 29 CYS CB C 13 43.567 0.000 A 29 CYS N N 15 120.709 0.000 A 30 GLY H H 1 9.791 0.001 A 30 GLY HAy H 1 4.544 0.000 A 30 GLY HAx H 1 3.943 0.003 A 30 GLY CA C 13 48.319 0.001 A 30 GLY N N 15 109.587 0.000 A 31 SER H H 1 8.836 0.001 A 31 SER HA H 1 4.544 0.001 A 31 SER HBx H 1 3.912 0.000 A 31 SER HBy H 1 3.983 0.001 A 31 SER CA C 13 62.296 0.000 A 31 SER CB C 13 66.662 0.003 A 31 SER N N 15 115.963 0.000 A 32 GLY H H 1 9.100 0.001 A 32 GLY HAy H 1 4.420 0.001 A 32 GLY HAx H 1 3.896 0.001 A 32 GLY CA C 13 47.285 0.000 A 32 GLY N N 15 111.351 0.000 A 33 SER H H 1 8.671 0.003 A 33 SER HA H 1 4.462 0.001 A 33 SER HBy H 1 3.914 0.005 A 33 SER HBx H 1 3.906 0.000 A 33 SER CA C 13 61.763 0.000 A 33 SER CB C 13 66.205 0.000 A 33 SER N N 15 115.915 0.000 A 34 ASP H H 1 8.599 0.001 A 34 ASP HA H 1 4.819 0.002 A 34 ASP HBy H 1 2.949 0.010 A 34 ASP HBx H 1 2.903 0.001 A 34 ASP CA C 13 55.696 0.000 A 34 ASP CB C 13 41.190 0.004 A 34 ASP N N 15 119.573 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 12 ARG H A 12 ARG HBx 1.0 0.0 4.17 2 2 A 12 ARG H A 12 ARG HBy 1.0 0.0 4.17 3 3 A 13 ARG H A 13 ARG HBy 1.0 0.0 3.95 4 4 A 13 ARG HA A 14 ASP H 1.0 0.0 2.99 5 5 A 14 ASP H A 14 ASP HBy 1.0 0.0 3.76 6 6 A 14 ASP H A 14 ASP HBx 1.0 0.0 3.76 7 7 A 15 SER H A 15 SER HBx 1.0 0.0 3.67 8 8 A 15 SER H A 15 SER HBy 1.0 0.0 3.14 9 9 A 16 ASP H A 16 ASP HBy 1.0 0.0 3.02 10 10 A 16 ASP H A 16 ASP HBx 1.0 0.0 3.02 11 11 A 17 CYS H A 17 CYS HBx 1.0 0.0 3.79 12 12 A 17 CYS H A 17 CYS HBy 1.0 0.0 3.79 13 13 A 29 CYS H A 29 CYS HBx 1.0 0.0 3.24 14 14 A 29 CYS H A 29 CYS HBy 1.0 0.0 3.76 15 15 A 28 TYR H A 28 TYR HBy 1.0 0.0 4.07 16 16 A 28 TYR H A 28 TYR HBx 1.0 0.0 4.07 17 17 A 26 ASN H A 26 ASN HBx 1.0 0.0 4.14 18 18 A 26 ASN H A 26 ASN HBy 1.0 0.0 3.61 19 19 A 25 GLY H A 25 GLY HAy 1.0 0.0 2.80 20 20 A 24 ARG H A 24 ARG HBx 1.0 0.0 3.21 21 21 A 23 CYS H A 23 CYS HBy 1.0 0.0 3.52 22 22 A 23 CYS H A 23 CYS HBx 1.0 0.0 3.52 23 23 A 21 CYS H A 21 CYS HBx 1.0 0.0 3.33 24 24 A 21 CYS H A 21 CYS HBy 1.0 0.0 3.92 25 25 A 11 CYS H A 11 CYS HBy 1.0 0.0 3.95 26 26 A 3 VAL H A 3 VAL HB 1.0 0.0 3.45 27 27 A 3 VAL HA A 4 CYS H 1.0 0.0 2.87 28 28 A 7 ILE H A 7 ILE HB 1.0 0.0 3.89 29 29 A 7 ILE HA A 8 LEU H 1.0 0.0 2.90 30 30 A 8 LEU H A 8 LEU HBx 1.0 0.0 3.79 31 31 A 8 LEU H A 8 LEU HBy 1.0 0.0 3.79 32 32 A 34 ASP H A 34 ASP HBy 1.0 0.0 3.98 33 33 A 34 ASP H A 34 ASP HBx 1.0 0.0 3.98 34 34 A 33 SER H A 33 SER HBy 1.0 0.0 3.05 35 35 A 33 SER H A 33 SER HBx 1.0 0.0 3.05 36 36 A 31 SER H A 31 SER HBx 1.0 0.0 3.33 37 37 A 31 SER H A 31 SER HBy 1.0 0.0 3.33 38 38 A 29 CYS HA A 30 GLY H 1.0 0.0 2.90 39 39 A 29 CYS HBy A 30 GLY H 1.0 0.0 3.76 40 40 A 29 CYS H A 28 TYR HA 1.0 0.0 2.87 41 41 A 25 GLY H A 24 ARG HA 1.0 0.0 3.14 42 42 A 24 ARG H A 24 ARG HBy 1.0 0.0 3.89 43 43 A 24 ARG H A 23 CYS HA 1.0 0.0 2.90 44 44 A 23 CYS H A 22 ILE HA 1.0 0.0 3.17 45 45 A 21 CYS HA A 22 ILE H 1.0 0.0 3.11 46 46 A 10 ARG H A 10 ARG HBx 1.0 0.0 3.52 47 47 A 10 ARG H A 10 ARG HBy 1.0 0.0 3.52 48 48 A 12 ARG H A 11 CYS HA 1.0 0.0 2.99 49 49 A 10 ARG H A 9 GLN HA 1.0 0.0 2.77 50 50 A 10 ARG H A 9 GLN HBy 1.0 0.0 4.45 51 51 A 10 ARG H A 9 GLN HBx 1.0 0.0 4.45 52 52 A 30 GLY H A 23 CYS HA 1.0 0.0 4.20 53 53 A 30 GLY H A 21 CYS HA 1.0 0.0 4.79 54 54 A 30 GLY H A 22 ILE H 1.0 0.0 3.48 55 55 A 24 ARG H A 30 GLY H 1.0 0.0 4.45 56 56 A 12 ARG H A 11 CYS HBy 1.0 0.0 3.58 57 57 A 12 ARG H A 13 ARG H 1.0 0.0 2.80 58 58 A 14 ASP H A 13 ARG HBx 1.0 0.0 3.64 59 59 A 13 ARG HBy A 14 ASP H 1.0 0.0 3.39 60 60 A 14 ASP H A 15 SER H 1.0 0.0 3.61 61 61 A 21 CYS HBx A 22 ILE H 1.0 0.0 4.20 62 62 A 21 CYS HBy A 22 ILE H 1.0 0.0 3.55 63 63 A 21 CYS H A 22 ILE H 1.0 0.0 4.94 64 64 A 33 SER H A 32 GLY H 1.0 0.0 4.35 65 65 A 23 CYS H A 22 ILE HB 1.0 0.0 2.99 66 66 A 25 GLY H A 24 ARG HBy 1.0 0.0 3.17 67 67 A 25 GLY H A 24 ARG HBx 1.0 0.0 3.92 68 68 A 26 ASN HBy A 25 GLY H 1.0 0.0 5.22 69 69 A 26 ASN H A 25 GLY H 1.0 0.0 3.73 70 70 A 3 VAL HB A 4 CYS H 1.0 0.0 4.26 71 71 A 7 ILE H A 8 LEU H 1.0 0.0 4.48 72 72 A 11 CYS H A 28 TYR HA 1.0 0.0 3.61 73 73 A 28 TYR H A 27 GLY H 1.0 0.0 3.24 74 74 A 26 ASN H A 27 GLY H 1.0 0.0 3.42 75 75 A 21 CYS H A 20 ALA H 1.0 0.0 3.73 76 76 A 11 CYS H A 10 ARG HA 1.0 0.0 2.74 77 77 A 11 CYS H A 10 ARG HBy 1.0 0.0 3.92 78 78 A 11 CYS H A 10 ARG HBx 1.0 0.0 3.92 79 79 A 15 SER H A 16 ASP H 1.0 0.0 3.55 80 80 A 15 SER H A 14 ASP HBx 1.0 0.0 4.04 81 81 A 15 SER H A 14 ASP HBy 1.0 0.0 4.04 82 82 A 15 SER H A 13 ARG HBx 1.0 0.0 4.01 83 83 A 24 ARG H A 29 CYS HA 1.0 0.0 3.86 84 84 A 28 TYR H A 24 ARG H 1.0 0.0 4.32 85 85 A 16 ASP H A 17 CYS H 1.0 0.0 3.08 86 86 A 26 ASN H A 24 ARG HBx 1.0 0.0 3.95 87 87 A 26 ASN H A 24 ARG HBy 1.0 0.0 3.70 88 88 A 28 TYR H A 24 ARG HBx 1.0 0.0 4.07 89 89 A 20 ALA H A 19 GLY HAx 1.0 0.0 3.33 90 90 A 20 ALA H A 19 GLY HAy 1.0 0.0 3.33 91 91 A 26 ASN HBx A 27 GLY H 1.0 0.0 5.16 92 92 A 12 ARG H A 13 ARG HA 1.0 0.0 5.28 93 93 A 29 CYS HA A 22 ILE H 1.0 0.0 4.97 94 94 A 29 CYS H A 23 CYS HA 1.0 0.0 5.13 95 95 A 29 CYS H A 10 ARG HA 1.0 0.0 3.98 96 96 A 8 LEU H A 9 GLN HA 1.0 0.0 4.60 97 97 A 23 CYS H A 14 ASP HA 1.0 0.0 3.42 98 98 A 24 ARG HBy A 27 GLY H 1.0 0.0 5.04 99 99 A 24 ARG HBx A 27 GLY H 1.0 0.0 4.79 100 100 A 30 GLY H A 22 ILE HA 1.0 0.0 5.41 101 101 A 14 ASP H A 16 ASP H 1.0 0.0 5.13 102 102 A 17 CYS H A 14 ASP HA 1.0 0.0 4.54 103 103 A 17 CYS H A 15 SER HA 1.0 0.0 4.11 104 104 A 17 CYS H A 21 CYS HBx 1.0 0.0 5.41 105 105 A 21 CYS H A 4 CYS HA 1.0 0.0 4.79 106 106 A 26 ASN H A 24 ARG HA 1.0 0.0 4.82 107 107 A 16 ASP H A 13 ARG HBx 1.0 0.0 5.07 108 108 A 15 SER HBy A 16 ASP H 1.0 0.0 4.97 109 109 A 28 TYR H A 24 ARG HBy 1.0 0.0 4.91 110 110 A 25 GLY H A 25 GLY HAx 1.0 0.0 2.80 111 111 A 29 CYS H A 30 GLY H 1.0 0.0 4.57 112 112 A 16 ASP H A 14 ASP HA 1.0 0.0 4.20 113 113 A 31 SER H A 30 GLY H 1.0 0.0 4.51 114 114 A 21 CYS HA A 32 GLY H 1.0 0.0 4.88 115 115 A 19 GLY H A 18 PRO HBy 1.0 0.0 4.14 116 116 A 19 GLY H A 18 PRO HBx 1.0 0.0 4.14 117 117 A 19 GLY H A 18 PRO HA 1.0 0.0 2.90 118 118 A 3 VAL H A 2 GLY H 1.0 0.0 5.00 119 119 A 12 ARG H A 16 ASP HBx 1.0 0.0 3.70 120 120 A 12 ARG H A 16 ASP HBy 1.0 0.0 3.70 121 121 A 22 ILE HA A 14 ASP HA 1.0 0.0 4.20 122 122 A 21 CYS HBy A 17 CYS HA 1.0 0.0 4.57 123 123 A 12 ARG H A 12 ARG HGx 1.0 0.0 4.91 124 124 A 12 ARG H A 12 ARG HGy 1.0 0.0 4.91 125 125 A 13 ARG HBy A 13 ARG HE 1.0 0.0 5.50 126 126 A 13 ARG HBx A 13 ARG HE 1.0 0.0 5.50 127 127 A 4 CYS HA A 5 PRO HDx 1.0 0.0 3.95 128 128 A 4 CYS HA A 5 PRO HDy 1.0 0.0 3.95 129 129 A 28 TYR HA A 28 TYR HD% 1.0 0.0 7.47 130 130 A 28 TYR H A 28 TYR HD% 1.0 0.0 7.63 131 131 A 24 ARG H A 24 ARG HGy 1.0 0.0 4.76 132 132 A 24 ARG H A 24 ARG HGx 1.0 0.0 4.76 133 133 A 24 ARG HBx A 24 ARG HE 1.0 0.0 5.50 134 134 A 24 ARG HBy A 24 ARG HE 1.0 0.0 5.50 135 135 A 22 ILE H A 22 ILE HG1x 1.0 0.0 4.91 136 136 A 22 ILE H A 22 ILE HG1y 1.0 0.0 4.91 137 137 A 10 ARG HE A 10 ARG HBx 1.0 0.0 5.50 138 138 A 10 ARG HE A 10 ARG HBy 1.0 0.0 5.50 139 139 A 17 CYS HA A 18 PRO HDy 1.0 0.0 4.04 140 140 A 17 CYS HA A 18 PRO HDx 1.0 0.0 4.04 141 141 A 10 ARG H A 9 GLN HGx 1.0 0.0 5.50 142 142 A 10 ARG H A 9 GLN HGy 1.0 0.0 5.50 143 143 A 9 GLN HE2x A 9 GLN HBx 1.0 0.0 5.50 144 144 A 9 GLN HE2x A 9 GLN HBy 1.0 0.0 5.50 145 145 A 9 GLN HE2y A 9 GLN HBy 1.0 0.0 5.50 146 146 A 9 GLN HE2y A 9 GLN HBx 1.0 0.0 5.50 147 147 A 6 LYS HA A 6 LYS HDx 1.0 0.0 5.50 148 148 A 6 LYS HA A 6 LYS HEy 1.0 0.0 5.50 149 149 A 8 LEU H A 8 LEU HG 1.0 0.0 5.50 150 150 A 21 CYS HBy A 30 GLY H 1.0 0.0 4.54 151 151 A 30 GLY H A 24 ARG HGy 1.0 0.0 5.50 152 152 A 30 GLY H A 24 ARG HGx 1.0 0.0 5.50 153 153 A 30 GLY H A 22 ILE HG1x 1.0 0.0 5.50 154 154 A 30 GLY H A 22 ILE HG1y 1.0 0.0 5.50 155 155 A 14 ASP H A 13 ARG HGx 1.0 0.0 5.50 156 156 A 14 ASP H A 13 ARG HGy 1.0 0.0 5.50 157 157 A 32 GLY H A 22 ILE HG1y 1.0 0.0 5.50 158 158 A 23 CYS H A 11 CYS HBy 1.0 0.0 5.50 159 159 A 23 CYS H A 11 CYS HBx 1.0 0.0 5.50 160 160 A 23 CYS H A 22 ILE HG1x 1.0 0.0 5.50 161 161 A 23 CYS H A 22 ILE HG1y 1.0 0.0 5.50 162 162 A 25 GLY H A 24 ARG HGy 1.0 0.0 5.50 163 163 A 25 GLY H A 24 ARG HGx 1.0 0.0 5.50 164 164 A 8 LEU H A 7 ILE HG1x 1.0 0.0 5.50 165 165 A 16 ASP H A 13 ARG HGy 1.0 0.0 5.50 166 166 A 16 ASP H A 13 ARG HGx 1.0 0.0 5.50 167 167 A 28 TYR HD% A 8 LEU HG 1.0 0.0 7.63 168 168 A 10 ARG HA A 28 TYR HD% 1.0 0.0 7.13 169 169 A 24 ARG HBx A 30 GLY H 1.0 0.0 5.50 170 170 A 29 CYS HBy A 22 ILE H 1.0 0.0 5.50 171 171 A 22 ILE H A 17 CYS HBy 1.0 0.0 5.50 172 172 A 8 LEU H A 7 ILE HG1y 1.0 0.0 5.50 173 173 A 29 CYS HBy A 21 CYS H 1.0 0.0 5.50 174 174 A 16 ASP H A 11 CYS HBx 1.0 0.0 5.50 175 175 A 28 TYR H A 24 ARG HGx 1.0 0.0 5.50 176 176 A 28 TYR H A 24 ARG HGy 1.0 0.0 5.50 177 177 A 8 LEU HG A 28 TYR HE% 1.0 0.0 7.63 178 178 A 10 ARG H A 28 TYR HD% 1.0 0.0 7.63 179 179 A 28 TYR HD% A 9 GLN H 1.0 0.0 7.63 180 180 A 6 LYS HA A 6 LYS HEx 1.0 0.0 5.50 181 181 A 6 LYS HA A 6 LYS HDy 1.0 0.0 5.50 182 182 A 32 GLY H A 22 ILE HG1x 1.0 0.0 5.50 183 183 A 28 TYR HD% A 8 LEU HA 1.0 0.0 7.63 184 184 A 28 TYR HE% A 8 LEU HA 1.0 0.0 7.63 185 185 A 11 CYS HBy A 29 CYS HA 1.0 0.0 5.50 186 186 A 29 CYS HA A 11 CYS HBx 1.0 0.0 5.50 187 187 A 22 ILE H A 17 CYS HBx 1.0 0.0 5.50 188 188 A 3 VAL H A 3 VAL HGx% 1.0 0.0 6.52 189 189 A 3 VAL H A 3 VAL HGy% 1.0 0.0 6.52 190 190 A 7 ILE H A 7 ILE HG2% 1.0 0.0 5.90 191 191 A 22 ILE H A 22 ILE HG2% 1.0 0.0 6.05 192 192 A 21 CYS H A 20 ALA HB% 1.0 0.0 6.52 193 193 A 32 GLY H A 22 ILE HG2% 1.0 0.0 6.52 194 194 A 23 CYS H A 22 ILE HG2% 1.0 0.0 6.18 195 195 A 8 LEU H A 7 ILE HG2% 1.0 0.0 5.93 196 196 A 3 VAL H A 20 ALA HB% 1.0 0.0 6.21 197 197 A 21 CYS H A 22 ILE HG2% 1.0 0.0 6.52 198 198 A 22 ILE HA A 22 ILE HD1% 1.0 0.0 5.19 199 199 A 24 ARG H A 22 ILE HD1% 1.0 0.0 6.52 200 200 A 24 ARG HE A 22 ILE HD1% 1.0 0.0 6.52 201 201 A 2 GLY H A 20 ALA HB% 1.0 0.0 6.52 202 202 A 9 GLN H A 7 ILE HG2% 1.0 0.0 6.52 203 203 A 3 VAL H A 2 GLY HAx 1.0 0.0 2.97 204 203 A 3 VAL H A 2 GLY HAy 1.0 0.0 2.97 205 204 A 4 CYS H A 4 CYS HBy 1.0 0.0 3.16 206 204 A 4 CYS H A 4 CYS HBx 1.0 0.0 3.16 207 205 A 4 CYS HA A 5 PRO HDx 1.0 0.0 3.43 208 205 A 4 CYS HA A 5 PRO HDy 1.0 0.0 3.43 209 206 A 5 PRO HDx A 6 LYS HGx 1.0 0.0 5.18 210 206 A 5 PRO HDy A 6 LYS HGx 1.0 0.0 5.18 211 206 A 6 LYS HGy A 5 PRO HDx 1.0 0.0 5.18 212 206 A 5 PRO HDy A 6 LYS HGy 1.0 0.0 5.18 213 207 A 7 ILE H A 7 ILE HG1y 1.0 0.0 4.41 214 207 A 7 ILE H A 7 ILE HG1x 1.0 0.0 4.41 215 208 A 8 LEU H A 8 LEU HBy 1.0 0.0 3.32 216 208 A 8 LEU H A 8 LEU HBx 1.0 0.0 3.32 217 209 A 8 LEU H A 8 LEU HDx% 1.0 0.0 6.42 218 209 A 8 LEU H A 8 LEU HDy% 1.0 0.0 6.42 219 210 A 28 TYR HD% A 8 LEU HBy 1.0 0.0 7.31 220 210 A 28 TYR HD% A 8 LEU HBx 1.0 0.0 7.31 221 211 A 28 TYR HE% A 8 LEU HBy 1.0 0.0 7.32 222 211 A 28 TYR HE% A 8 LEU HBx 1.0 0.0 7.32 223 212 A 9 GLN H A 8 LEU HDx% 1.0 0.0 6.42 224 212 A 9 GLN H A 8 LEU HDy% 1.0 0.0 6.42 225 213 A 28 TYR HD% A 8 LEU HDx% 1.0 0.0 8.44 226 213 A 28 TYR HD% A 8 LEU HDy% 1.0 0.0 8.44 227 214 A 28 TYR HE% A 8 LEU HDx% 1.0 0.0 8.44 228 214 A 28 TYR HE% A 8 LEU HDy% 1.0 0.0 8.44 229 215 A 29 CYS H A 8 LEU HDx% 1.0 0.0 6.42 230 215 A 29 CYS H A 8 LEU HDy% 1.0 0.0 6.42 231 216 A 10 ARG H A 9 GLN HBx 1.0 0.0 3.79 232 216 A 10 ARG H A 9 GLN HBy 1.0 0.0 3.79 233 217 A 9 GLN HBy A 18 PRO HDx 1.0 0.0 4.59 234 217 A 9 GLN HBx A 18 PRO HDx 1.0 0.0 4.59 235 217 A 18 PRO HDy A 9 GLN HBx 1.0 0.0 4.59 236 217 A 9 GLN HBy A 18 PRO HDy 1.0 0.0 4.59 237 218 A 29 CYS H A 9 GLN HBx 1.0 0.0 5.34 238 218 A 29 CYS H A 9 GLN HBy 1.0 0.0 5.34 239 219 A 29 CYS H A 9 GLN HGx 1.0 0.0 5.34 240 219 A 29 CYS H A 9 GLN HGy 1.0 0.0 5.34 241 220 A 17 CYS HA A 9 GLN HE2y 1.0 0.0 5.34 242 220 A 17 CYS HA A 9 GLN HE2x 1.0 0.0 5.34 243 221 A 9 GLN HE2y A 18 PRO HDy 1.0 0.0 4.76 244 221 A 9 GLN HE2y A 18 PRO HDx 1.0 0.0 4.76 245 221 A 9 GLN HE2x A 18 PRO HDy 1.0 0.0 4.76 246 221 A 9 GLN HE2x A 18 PRO HDx 1.0 0.0 4.76 247 222 A 10 ARG H A 10 ARG HBx 1.0 0.0 2.90 248 222 A 10 ARG H A 10 ARG HBy 1.0 0.0 2.90 249 223 A 10 ARG H A 10 ARG HGx 1.0 0.0 4.97 250 223 A 10 ARG H A 10 ARG HGy 1.0 0.0 4.97 251 224 A 11 CYS H A 10 ARG HBx 1.0 0.0 3.26 252 224 A 11 CYS H A 10 ARG HBy 1.0 0.0 3.26 253 225 A 28 TYR HD% A 10 ARG HBx 1.0 0.0 7.31 254 225 A 28 TYR HD% A 10 ARG HBy 1.0 0.0 7.31 255 226 A 28 TYR HE% A 10 ARG HBx 1.0 0.0 7.32 256 226 A 28 TYR HE% A 10 ARG HBy 1.0 0.0 7.32 257 227 A 11 CYS H A 10 ARG HGx 1.0 0.0 5.34 258 227 A 11 CYS H A 10 ARG HGy 1.0 0.0 5.34 259 228 A 28 TYR HD% A 10 ARG HGx 1.0 0.0 7.31 260 228 A 28 TYR HD% A 10 ARG HGy 1.0 0.0 7.31 261 229 A 28 TYR HE% A 10 ARG HGx 1.0 0.0 7.32 262 229 A 28 TYR HE% A 10 ARG HGy 1.0 0.0 7.32 263 230 A 11 CYS H A 10 ARG HDx 1.0 0.0 5.34 264 230 A 11 CYS H A 10 ARG HDy 1.0 0.0 5.34 265 231 A 28 TYR HD% A 10 ARG HDx 1.0 0.0 7.31 266 231 A 28 TYR HD% A 10 ARG HDy 1.0 0.0 7.31 267 232 A 28 TYR HE% A 10 ARG HDx 1.0 0.0 7.32 268 232 A 28 TYR HE% A 10 ARG HDy 1.0 0.0 7.32 269 233 A 12 ARG H A 12 ARG HBx 1.0 0.0 3.36 270 233 A 12 ARG H A 12 ARG HBy 1.0 0.0 3.36 271 234 A 12 ARG H A 12 ARG HGx 1.0 0.0 4.32 272 234 A 12 ARG H A 12 ARG HGy 1.0 0.0 4.32 273 235 A 12 ARG H A 12 ARG HDx 1.0 0.0 4.32 274 235 A 12 ARG H A 12 ARG HDy 1.0 0.0 4.32 275 236 A 12 ARG H A 16 ASP HBx 1.0 0.0 3.21 276 236 A 12 ARG H A 16 ASP HBy 1.0 0.0 3.21 277 237 A 12 ARG HA A 12 ARG HGx 1.0 0.0 3.60 278 237 A 12 ARG HGy A 12 ARG HA 1.0 0.0 3.60 279 238 A 12 ARG HE A 12 ARG HBx 1.0 0.0 5.34 280 238 A 12 ARG HBy A 12 ARG HE 1.0 0.0 5.34 281 239 A 13 ARG H A 12 ARG HBx 1.0 0.0 4.21 282 239 A 13 ARG H A 12 ARG HBy 1.0 0.0 4.21 283 240 A 13 ARG H A 12 ARG HDx 1.0 0.0 4.15 284 240 A 13 ARG H A 12 ARG HDy 1.0 0.0 4.15 285 241 A 13 ARG H A 13 ARG HGy 1.0 0.0 4.42 286 241 A 13 ARG H A 13 ARG HGx 1.0 0.0 4.42 287 242 A 13 ARG H A 16 ASP HBx 1.0 0.0 3.26 288 242 A 13 ARG H A 16 ASP HBy 1.0 0.0 3.26 289 243 A 13 ARG H A 23 CYS HBx 1.0 0.0 5.34 290 243 A 13 ARG H A 23 CYS HBy 1.0 0.0 5.34 291 244 A 15 SER H A 13 ARG HGy 1.0 0.0 4.38 292 244 A 15 SER H A 13 ARG HGx 1.0 0.0 4.38 293 245 A 16 ASP H A 13 ARG HGy 1.0 0.0 4.68 294 245 A 16 ASP H A 13 ARG HGx 1.0 0.0 4.68 295 246 A 14 ASP H A 14 ASP HBx 1.0 0.0 3.04 296 246 A 14 ASP H A 14 ASP HBy 1.0 0.0 3.04 297 247 A 14 ASP H A 23 CYS HBx 1.0 0.0 5.34 298 247 A 14 ASP H A 23 CYS HBy 1.0 0.0 5.34 299 248 A 14 ASP HA A 23 CYS HBx 1.0 0.0 4.50 300 248 A 14 ASP HA A 23 CYS HBy 1.0 0.0 4.50 301 249 A 15 SER H A 14 ASP HBx 1.0 0.0 3.37 302 249 A 15 SER H A 14 ASP HBy 1.0 0.0 3.37 303 250 A 16 ASP H A 17 CYS HBy 1.0 0.0 4.53 304 250 A 16 ASP H A 17 CYS HBx 1.0 0.0 4.53 305 251 A 17 CYS H A 17 CYS HBy 1.0 0.0 3.00 306 251 A 17 CYS H A 17 CYS HBx 1.0 0.0 3.00 307 252 A 17 CYS HA A 18 PRO HDx 1.0 0.0 3.46 308 252 A 17 CYS HA A 18 PRO HDy 1.0 0.0 3.46 309 253 A 21 CYS H A 17 CYS HBy 1.0 0.0 4.56 310 253 A 21 CYS H A 17 CYS HBx 1.0 0.0 4.56 311 254 A 19 GLY H A 18 PRO HBy 1.0 0.0 3.49 312 254 A 19 GLY H A 18 PRO HBx 1.0 0.0 3.49 313 255 A 29 CYS HBx A 18 PRO HGx 1.0 0.0 5.35 314 255 A 29 CYS HBx A 18 PRO HGy 1.0 0.0 5.35 315 256 A 29 CYS HBy A 18 PRO HGx 1.0 0.0 5.35 316 256 A 29 CYS HBy A 18 PRO HGy 1.0 0.0 5.35 317 257 A 20 ALA H A 19 GLY HAx 1.0 0.0 2.79 318 257 A 20 ALA H A 19 GLY HAy 1.0 0.0 2.79 319 258 A 21 CYS H A 19 GLY HAx 1.0 0.0 4.50 320 258 A 21 CYS H A 19 GLY HAy 1.0 0.0 4.50 321 259 A 22 ILE H A 22 ILE HG1y 1.0 0.0 4.17 322 259 A 22 ILE H A 22 ILE HG1x 1.0 0.0 4.17 323 260 A 22 ILE H A 30 GLY HAy 1.0 0.0 4.47 324 260 A 22 ILE H A 30 GLY HAx 1.0 0.0 4.47 325 261 A 24 ARG H A 22 ILE HG1y 1.0 0.0 5.34 326 261 A 24 ARG H A 22 ILE HG1x 1.0 0.0 5.34 327 262 A 23 CYS H A 23 CYS HBx 1.0 0.0 3.07 328 262 A 23 CYS H A 23 CYS HBy 1.0 0.0 3.07 329 263 A 24 ARG H A 24 ARG HGy 1.0 0.0 3.96 330 263 A 24 ARG H A 24 ARG HGx 1.0 0.0 3.96 331 264 A 24 ARG H A 24 ARG HDx 1.0 0.0 5.34 332 264 A 24 ARG H A 24 ARG HDy 1.0 0.0 5.34 333 265 A 24 ARG HA A 24 ARG HDx 1.0 0.0 5.29 334 265 A 24 ARG HA A 24 ARG HDy 1.0 0.0 5.29 335 266 A 24 ARG HGy A 30 GLY HAy 1.0 0.0 5.18 336 266 A 30 GLY HAx A 24 ARG HGy 1.0 0.0 5.18 337 266 A 30 GLY HAx A 24 ARG HGx 1.0 0.0 5.18 338 266 A 24 ARG HGx A 30 GLY HAy 1.0 0.0 5.18 339 267 A 25 GLY H A 24 ARG HDx 1.0 0.0 5.34 340 267 A 25 GLY H A 24 ARG HDy 1.0 0.0 5.34 341 268 A 24 ARG HDx A 30 GLY HAy 1.0 0.0 4.94 342 268 A 24 ARG HDy A 30 GLY HAy 1.0 0.0 4.94 343 268 A 30 GLY HAx A 24 ARG HDx 1.0 0.0 4.94 344 268 A 30 GLY HAx A 24 ARG HDy 1.0 0.0 4.94 345 269 A 31 SER H A 24 ARG HDx 1.0 0.0 5.34 346 269 A 31 SER H A 24 ARG HDy 1.0 0.0 5.34 347 270 A 26 ASN H A 27 GLY HAx 1.0 0.0 5.14 348 270 A 26 ASN H A 27 GLY HAy 1.0 0.0 5.14 349 271 A 26 ASN HD2y A 28 TYR HBy 1.0 0.0 4.76 350 271 A 26 ASN HD2x A 28 TYR HBy 1.0 0.0 4.76 351 271 A 28 TYR HBx A 26 ASN HD2x 1.0 0.0 4.76 352 271 A 26 ASN HD2y A 28 TYR HBx 1.0 0.0 4.76 353 272 A 28 TYR HD% A 26 ASN HD2x 1.0 0.0 7.31 354 272 A 28 TYR HD% A 26 ASN HD2y 1.0 0.0 7.31 355 273 A 27 GLY H A 28 TYR HBy 1.0 0.0 5.26 356 273 A 27 GLY H A 28 TYR HBx 1.0 0.0 5.26 357 274 A 28 TYR H A 28 TYR HBy 1.0 0.0 3.28 358 274 A 28 TYR H A 28 TYR HBx 1.0 0.0 3.28 359 275 A 29 CYS H A 28 TYR HBy 1.0 0.0 3.30 360 275 A 29 CYS H A 28 TYR HBx 1.0 0.0 3.30 361 276 A 31 SER H A 30 GLY HAy 1.0 0.0 2.84 362 276 A 31 SER H A 30 GLY HAx 1.0 0.0 2.84 363 277 A 31 SER H A 31 SER HBy 1.0 0.0 2.82 364 277 A 31 SER H A 31 SER HBx 1.0 0.0 2.82 365 278 A 31 SER H A 34 ASP HBx 1.0 0.0 4.24 366 278 A 31 SER H A 34 ASP HBy 1.0 0.0 4.24 367 279 A 31 SER HA A 31 SER HBy 1.0 0.0 2.62 368 279 A 31 SER HBx A 31 SER HA 1.0 0.0 2.62 369 280 A 32 GLY H A 31 SER HBy 1.0 0.0 3.94 370 280 A 32 GLY H A 31 SER HBx 1.0 0.0 3.94 371 281 A 32 GLY H A 34 ASP HBx 1.0 0.0 4.76 372 281 A 32 GLY H A 34 ASP HBy 1.0 0.0 4.76 373 282 A 33 SER H A 32 GLY HAy 1.0 0.0 2.91 374 282 A 33 SER H A 32 GLY HAx 1.0 0.0 2.91 375 283 A 34 ASP H A 33 SER HBx 1.0 0.0 3.91 376 283 A 34 ASP H A 33 SER HBy 1.0 0.0 3.91 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 11 CYS H A 27 GLY O 1.0 0.0 2.0 2 2 A 27 GLY O A 11 CYS N 1.0 0.0 3.0 3 3 A 16 ASP H A 13 ARG O 1.0 0.0 2.0 4 4 A 13 ARG O A 16 ASP N 1.0 0.0 3.0 5 5 A 17 CYS H A 14 ASP O 1.0 0.0 2.0 6 6 A 14 ASP O A 17 CYS N 1.0 0.0 3.0 7 7 A 30 GLY H A 22 ILE O 1.0 0.0 2.0 8 8 A 22 ILE O A 30 GLY N 1.0 0.0 3.0 9 9 A 24 ARG H A 28 TYR O 1.0 0.0 2.0 10 10 A 28 TYR O A 24 ARG N 1.0 0.0 3.0 11 11 A 27 GLY H A 24 ARG O 1.0 0.0 2.0 12 12 A 24 ARG O A 27 GLY N 1.0 0.0 3.0 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 4 CYS N A 4 CYS CA A 4 CYS C A 5 PRO N 1.0 111.5 158.7 PSI 2 2 A 5 PRO N A 5 PRO CA A 5 PRO C A 6 LYS N 1.0 -54.0 -14.0 PSI 3 3 A 5 PRO C A 6 LYS N A 6 LYS CA A 6 LYS C 1.0 -88.1 -48.1 PHI 4 4 A 8 LEU C A 9 GLN N A 9 GLN CA A 9 GLN C 1.0 -190.6 -50.6 PHI 5 5 A 9 GLN N A 9 GLN CA A 9 GLN C A 10 ARG N 1.0 116.5 171.7 PSI 6 6 A 9 GLN C A 10 ARG N A 10 ARG CA A 10 ARG C 1.0 -222.2 -16.2 PHI 7 7 A 10 ARG N A 10 ARG CA A 10 ARG C A 11 CYS N 1.0 86.1 184.3 PSI 8 8 A 10 ARG C A 11 CYS N A 11 CYS CA A 11 CYS C 1.0 -169.4 -126.0 PHI 9 9 A 11 CYS N A 11 CYS CA A 11 CYS C A 12 ARG N 1.0 136.0 188.8 PSI 10 10 A 11 CYS N A 11 CYS CA A 11 CYS CB A 11 CYS SG 1.0 30.0 90.0 CHI1 11 11 A 11 CYS C A 12 ARG N A 12 ARG CA A 12 ARG C 1.0 -131.5 -45.1 PHI 12 12 A 12 ARG N A 12 ARG CA A 12 ARG C A 13 ARG N 1.0 -62.9 15.3 PSI 13 13 A 12 ARG C A 13 ARG N A 13 ARG CA A 13 ARG C 1.0 -182.3 -82.7 PHI 14 14 A 13 ARG N A 13 ARG CA A 13 ARG C A 14 ASP N 1.0 113.2 185.2 PSI 15 15 A 13 ARG N A 13 ARG CA A 13 ARG CB A 13 ARG CG 1.0 30.0 90.0 CHI1 16 16 A 13 ARG C A 14 ASP N A 14 ASP CA A 14 ASP C 1.0 -81.0 -41.0 PHI 17 17 A 14 ASP N A 14 ASP CA A 14 ASP C A 15 SER N 1.0 -57.6 -17.6 PSI 18 18 A 14 ASP C A 15 SER N A 15 SER CA A 15 SER C 1.0 -84.8 -44.8 PHI 19 19 A 15 SER N A 15 SER CA A 15 SER C A 16 ASP N 1.0 -53.9 -13.9 PSI 20 20 A 15 SER N A 15 SER CA A 15 SER CB A 15 SER OG 1.0 30.0 90.0 CHI1 21 21 A 15 SER C A 16 ASP N A 16 ASP CA A 16 ASP C 1.0 -95.5 -53.1 PHI 22 22 A 16 ASP N A 16 ASP CA A 16 ASP C A 17 CYS N 1.0 -53.3 -13.3 PSI 23 23 A 16 ASP C A 17 CYS N A 17 CYS CA A 17 CYS C 1.0 -138.0 -31.4 PHI 24 24 A 17 CYS N A 17 CYS CA A 17 CYS C A 18 PRO N 1.0 65.3 168.7 PSI 25 25 A 19 GLY C A 20 ALA N A 20 ALA CA A 20 ALA C 1.0 -90.0 -30.0 PHI 26 26 A 20 ALA C A 21 CYS N A 21 CYS CA A 21 CYS C 1.0 -90.0 -30.0 PHI 27 27 A 21 CYS N A 21 CYS CA A 21 CYS C A 22 ILE N 1.0 120.0 180.0 PSI 28 28 A 21 CYS N A 21 CYS CA A 21 CYS CB A 21 CYS SG 1.0 -90.0 -30.0 CHI1 29 29 A 21 CYS C A 22 ILE N A 22 ILE CA A 22 ILE C 1.0 -152.5 -112.5 PHI 30 30 A 22 ILE N A 22 ILE CA A 22 ILE C A 23 CYS N 1.0 135.2 175.2 PSI 31 31 A 22 ILE C A 23 CYS N A 23 CYS CA A 23 CYS C 1.0 -88.6 -48.6 PHI 32 32 A 23 CYS N A 23 CYS CA A 23 CYS C A 24 ARG N 1.0 118.6 169.8 PSI 33 33 A 23 CYS N A 23 CYS CA A 23 CYS CB A 23 CYS SG 1.0 150.0 210.0 CHI1 34 34 A 24 ARG C A 25 GLY N A 25 GLY CA A 25 GLY C 1.0 -82.2 -42.2 PHI 35 35 A 25 GLY N A 25 GLY CA A 25 GLY C A 26 ASN N 1.0 -60.5 -20.5 PSI 36 36 A 25 GLY C A 26 ASN N A 26 ASN CA A 26 ASN C 1.0 -87.3 -47.3 PHI 37 37 A 26 ASN N A 26 ASN CA A 26 ASN C A 27 GLY N 1.0 -51.8 -11.8 PSI 38 38 A 26 ASN N A 26 ASN CA A 26 ASN CB A 26 ASN CG 1.0 30.0 90.0 CHI1 39 39 A 28 TYR N A 28 TYR CA A 28 TYR CB A 28 TYR CG 1.0 -90.0 -30.0 CHI1 40 40 A 29 CYS N A 29 CYS CA A 29 CYS CB A 29 CYS SG 1.0 -90.0 -30.0 CHI1 41 41 A 29 CYS C A 30 GLY N A 30 GLY CA A 30 GLY C 1.0 -80.9 -40.9 PHI 42 42 A 30 GLY N A 30 GLY CA A 30 GLY C A 31 SER N 1.0 -62.2 -22.2 PSI 43 43 A 30 GLY C A 31 SER N A 31 SER CA A 31 SER C 1.0 -86.4 -46.4 PHI 44 44 A 31 SER N A 31 SER CA A 31 SER C A 32 GLY N 1.0 -62.0 -22.0 PSI 45 45 A 31 SER C A 32 GLY N A 32 GLY CA A 32 GLY C 1.0 -83.5 -43.5 PHI 46 46 A 32 GLY N A 32 GLY CA A 32 GLY C A 33 SER N 1.0 -60.5 -20.5 PSI stop_ save_