data_nef_c30711_6vh8 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 6VH8 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 9 CYS SG 1 23 CYS SG 1 17 CYS SG 1 32 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 LEU start . . 2 A 2 PRO middle . false 3 A 3 ARG middle . . 4 A 4 CYS middle -HG . 5 A 5 ASP middle . . 6 A 6 SER middle . . 7 A 7 PRO middle . false 8 A 8 PHE middle . . 9 A 9 CYS middle -HG . 10 A 10 SER middle . . 11 A 11 LEU middle . . 12 A 12 PHE middle . . 13 A 13 ARG middle . . 14 A 14 ILE middle . . 15 A 15 GLY middle . false 16 A 16 LEU middle . . 17 A 17 CYS middle -HG . 18 A 18 GLY middle . false 19 A 19 ASP middle . . 20 A 20 LYS middle . . 21 A 21 CYS middle -HG . 22 A 22 THR middle . . 23 A 23 CYS middle -HG . 24 A 24 VAL middle . . 25 A 25 PRO middle . false 26 A 26 LEU middle . . 27 A 27 PRO middle . true 28 A 28 ILE middle . . 29 A 29 PHE middle . . 30 A 30 GLY middle . false 31 A 31 LEU middle . . 32 A 32 CYS middle -HG . 33 A 33 VAL middle . . 34 A 34 PRO middle . false 35 A 35 ASP middle . . 36 A 36 VAL end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 LEU HA H 1 4.119 0.005 A 1 LEU HBx H 1 1.575 0.005 A 1 LEU HBy H 1 1.575 0.005 A 1 LEU HDx% H 1 0.890 0.003 A 1 LEU HG H 1 1.667 0.006 A 1 LEU CA C 13 53.284 0.000 A 1 LEU CB C 13 41.955 0.050 A 2 PRO HA H 1 4.356 0.008 A 2 PRO HBx H 1 1.814 0.002 A 2 PRO HBy H 1 2.178 0.005 A 2 PRO HDx H 1 3.432 0.004 A 2 PRO HDy H 1 3.619 0.004 A 2 PRO HGx H 1 1.917 0.005 A 2 PRO HGy H 1 1.972 0.007 A 2 PRO CA C 13 63.168 0.000 A 2 PRO CB C 13 32.340 0.024 A 2 PRO CD C 13 50.739 0.031 A 2 PRO CG C 13 27.674 0.044 A 3 ARG H H 1 7.989 0.002 A 3 ARG HA H 1 4.210 0.007 A 3 ARG HBx H 1 1.605 0.003 A 3 ARG HBy H 1 1.711 0.004 A 3 ARG HDx H 1 3.069 0.003 A 3 ARG HDy H 1 3.069 0.003 A 3 ARG HE H 1 7.085 0.000 A 3 ARG HGx H 1 1.551 0.000 A 3 ARG HGy H 1 1.551 0.000 A 3 ARG CA C 13 55.795 0.000 A 3 ARG CB C 13 31.714 0.000 A 3 ARG CD C 13 43.448 0.000 A 3 ARG CG C 13 27.170 0.000 A 3 ARG N N 15 119.173 0.000 A 4 CYS H H 1 7.931 0.004 A 4 CYS HA H 1 4.748 0.006 A 4 CYS HBx H 1 2.536 0.005 A 4 CYS HBy H 1 3.296 0.005 A 4 CYS CA C 13 52.729 0.000 A 4 CYS CB C 13 40.171 0.000 A 4 CYS N N 15 116.989 0.000 A 5 ASP H H 1 7.671 0.007 A 5 ASP HA H 1 4.286 0.006 A 5 ASP HBx H 1 2.556 0.009 A 5 ASP HBy H 1 2.784 0.002 A 5 ASP CA C 13 55.318 0.000 A 5 ASP CB C 13 38.238 0.000 A 5 ASP N N 15 118.214 0.000 A 6 SER H H 1 6.878 0.007 A 6 SER HA H 1 4.655 0.007 A 6 SER HBx H 1 3.380 0.005 A 6 SER HBy H 1 3.601 0.003 A 6 SER CA C 13 54.079 0.000 A 6 SER CB C 13 65.245 0.007 A 6 SER N N 15 109.957 0.000 A 7 PRO HA H 1 4.238 0.006 A 7 PRO HBx H 1 1.971 0.000 A 7 PRO HBy H 1 2.085 0.006 A 7 PRO HDx H 1 3.546 0.003 A 7 PRO HDy H 1 3.676 0.005 A 7 PRO HGx H 1 1.675 0.000 A 7 PRO HGy H 1 1.723 0.002 A 7 PRO CA C 13 63.577 0.000 A 7 PRO CB C 13 32.262 0.000 A 7 PRO CD C 13 50.719 0.030 A 8 PHE H H 1 6.914 0.008 A 8 PHE HA H 1 5.496 0.003 A 8 PHE HBx H 1 2.782 0.006 A 8 PHE HBy H 1 3.315 0.007 A 8 PHE HDx H 1 7.205 0.000 A 8 PHE HDy H 1 7.205 0.000 A 8 PHE CA C 13 54.936 0.000 A 8 PHE CB C 13 43.537 0.007 A 8 PHE N N 15 113.085 0.000 A 9 CYS H H 1 8.329 0.003 A 9 CYS HA H 1 4.792 0.006 A 9 CYS HBx H 1 2.913 0.003 A 9 CYS HBy H 1 3.547 0.006 A 9 CYS CA C 13 55.786 0.000 A 9 CYS N N 15 114.956 0.000 A 10 SER H H 1 7.219 0.006 A 10 SER HA H 1 5.003 0.004 A 10 SER HBx H 1 3.556 0.003 A 10 SER HBy H 1 3.771 0.005 A 10 SER CA C 13 56.886 0.000 A 10 SER CB C 13 67.511 0.019 A 10 SER N N 15 110.523 0.000 A 11 LEU H H 1 8.170 0.007 A 11 LEU HA H 1 3.714 0.006 A 11 LEU HBx H 1 0.999 0.004 A 11 LEU HBy H 1 1.189 0.005 A 11 LEU HDx% H 1 0.721 0.006 A 11 LEU HDy% H 1 0.626 0.004 A 11 LEU HG H 1 1.344 0.005 A 11 LEU CA C 13 57.080 0.000 A 11 LEU CB C 13 43.660 0.050 A 11 LEU CDx C 13 24.533 0.017 A 11 LEU CDy C 13 24.798 0.018 A 11 LEU CG C 13 26.800 0.000 A 11 LEU N N 15 118.706 0.000 A 12 PHE H H 1 6.948 0.007 A 12 PHE HA H 1 4.420 0.004 A 12 PHE HBx H 1 2.581 0.002 A 12 PHE HBy H 1 3.275 0.004 A 12 PHE HDx H 1 7.064 0.003 A 12 PHE HDy H 1 7.064 0.003 A 12 PHE CA C 13 57.634 0.000 A 12 PHE CB C 13 39.488 0.002 A 12 PHE N N 15 111.273 0.000 A 13 ARG H H 1 7.470 0.004 A 13 ARG HA H 1 4.528 0.003 A 13 ARG HBx H 1 1.578 0.004 A 13 ARG HBy H 1 1.796 0.009 A 13 ARG HDx H 1 3.091 0.005 A 13 ARG HDy H 1 3.154 0.004 A 13 ARG HGx H 1 1.462 0.005 A 13 ARG HGy H 1 1.462 0.005 A 13 ARG CA C 13 54.216 0.000 A 13 ARG CB C 13 30.799 0.002 A 13 ARG CD C 13 43.772 0.000 A 13 ARG CG C 13 27.213 0.000 A 13 ARG N N 15 122.281 0.000 A 14 ILE H H 1 7.831 0.000 A 14 ILE HA H 1 4.094 0.006 A 14 ILE HB H 1 1.816 0.004 A 14 ILE HD1% H 1 0.772 0.003 A 14 ILE HG1x H 1 1.225 0.006 A 14 ILE HG1y H 1 1.400 0.003 A 14 ILE HG2% H 1 0.856 0.003 A 14 ILE CA C 13 63.508 0.000 A 14 ILE CB C 13 38.977 0.007 A 14 ILE CD1 C 13 14.062 0.000 A 14 ILE CG1 C 13 27.822 0.009 A 14 ILE CG2 C 13 18.084 0.000 A 14 ILE N N 15 121.688 0.000 A 15 GLY H H 1 8.317 0.012 A 15 GLY HAx H 1 3.651 0.005 A 15 GLY HAy H 1 4.098 0.007 A 15 GLY CA C 13 45.577 0.011 A 15 GLY N N 15 107.376 0.000 A 16 LEU H H 1 7.060 0.008 A 16 LEU HA H 1 3.973 0.008 A 16 LEU HBx H 1 1.525 0.005 A 16 LEU HBy H 1 1.600 0.004 A 16 LEU HDx% H 1 0.940 0.005 A 16 LEU HDy% H 1 0.862 0.003 A 16 LEU HG H 1 1.727 0.007 A 16 LEU CA C 13 56.710 0.000 A 16 LEU CB C 13 43.277 0.015 A 16 LEU N N 15 119.299 0.000 A 17 CYS H H 1 7.480 0.004 A 17 CYS HA H 1 5.206 0.003 A 17 CYS HBx H 1 2.678 0.005 A 17 CYS HBy H 1 2.769 0.004 A 17 CYS CA C 13 53.446 0.000 A 17 CYS CB C 13 35.879 0.000 A 18 GLY H H 1 7.486 0.004 A 18 GLY HAx H 1 3.719 0.006 A 18 GLY HAy H 1 4.476 0.009 A 18 GLY CA C 13 44.048 0.034 A 18 GLY N N 15 108.338 0.000 A 19 ASP H H 1 8.174 0.001 A 19 ASP HA H 1 4.356 0.007 A 19 ASP HBx H 1 2.696 0.003 A 19 ASP HBy H 1 2.844 0.001 A 19 ASP CA C 13 55.126 0.000 A 19 ASP CB C 13 38.397 0.000 A 19 ASP N N 15 114.364 0.000 A 20 LYS H H 1 8.453 0.003 A 20 LYS HA H 1 4.379 0.007 A 20 LYS HBx H 1 1.652 0.010 A 20 LYS HBy H 1 1.985 0.003 A 20 LYS HDx H 1 1.505 0.000 A 20 LYS HDy H 1 1.574 0.001 A 20 LYS HEx H 1 2.875 0.009 A 20 LYS HEy H 1 2.875 0.009 A 20 LYS HGx H 1 1.260 0.009 A 20 LYS HGy H 1 1.353 0.005 A 20 LYS CA C 13 55.302 0.000 A 20 LYS CB C 13 31.287 0.015 A 20 LYS CD C 13 28.814 0.000 A 20 LYS CE C 13 42.178 0.000 A 20 LYS CG C 13 23.955 0.045 A 20 LYS N N 15 117.039 0.000 A 21 CYS H H 1 7.350 0.007 A 21 CYS HA H 1 5.082 0.004 A 21 CYS HBx H 1 2.430 0.002 A 21 CYS HBy H 1 3.319 0.007 A 21 CYS CB C 13 52.044 0.007 A 21 CYS N N 15 115.955 0.000 A 22 THR H H 1 9.170 0.003 A 22 THR HA H 1 4.424 0.006 A 22 THR HB H 1 3.675 0.005 A 22 THR HG2% H 1 1.014 0.005 A 22 THR CA C 13 61.488 0.000 A 22 THR CB C 13 71.394 0.009 A 22 THR CG2 C 13 19.779 0.005 A 22 THR N N 15 116.485 0.000 A 23 CYS H H 1 8.571 0.001 A 23 CYS HA H 1 4.797 0.004 A 23 CYS HBx H 1 2.650 0.003 A 23 CYS HBy H 1 3.281 0.005 A 23 CYS CA C 13 55.370 0.000 A 23 CYS CB C 13 40.996 0.033 A 23 CYS N N 15 125.023 0.000 A 24 VAL H H 1 8.706 0.004 A 24 VAL HA H 1 4.316 0.008 A 24 VAL HB H 1 2.083 0.008 A 24 VAL HGx% H 1 0.793 0.006 A 24 VAL HGy% H 1 0.792 0.009 A 24 VAL CA C 13 59.830 0.000 A 24 VAL CB C 13 33.124 0.000 A 24 VAL N N 15 131.070 0.000 A 25 PRO HA H 1 3.673 0.003 A 25 PRO HBx H 1 1.569 0.001 A 25 PRO HBy H 1 1.631 0.003 A 25 PRO HDx H 1 3.481 0.004 A 25 PRO HDy H 1 3.601 0.004 A 25 PRO HGx H 1 1.350 0.000 A 25 PRO HGy H 1 1.840 0.000 A 25 PRO CA C 13 62.977 0.000 A 25 PRO CD C 13 50.948 0.000 A 26 LEU H H 1 7.906 0.008 A 26 LEU HA H 1 4.730 0.005 A 26 LEU HBx H 1 1.598 0.006 A 26 LEU HBy H 1 1.746 0.006 A 26 LEU HDx% H 1 0.863 0.005 A 26 LEU HDy% H 1 0.738 0.004 A 26 LEU HG H 1 1.674 0.003 A 26 LEU CA C 13 53.502 0.000 A 26 LEU CB C 13 44.395 0.013 A 26 LEU N N 15 122.685 0.000 A 27 PRO HA H 1 4.226 0.003 A 27 PRO HBx H 1 1.660 0.000 A 27 PRO HBy H 1 1.993 0.000 A 27 PRO HDx H 1 3.546 0.003 A 27 PRO HDy H 1 3.679 0.006 A 27 PRO HGx H 1 1.676 0.000 A 27 PRO HGy H 1 1.950 0.000 A 27 PRO CA C 13 64.064 0.000 A 27 PRO CB C 13 32.342 0.018 A 27 PRO CG C 13 23.944 0.031 A 28 ILE H H 1 7.582 0.007 A 28 ILE HA H 1 4.016 0.003 A 28 ILE HB H 1 1.613 0.005 A 28 ILE HD1% H 1 0.759 0.007 A 28 ILE HG1x H 1 0.942 0.005 A 28 ILE HG1y H 1 1.343 0.007 A 28 ILE HG2% H 1 0.483 0.003 A 28 ILE CA C 13 62.597 0.000 A 28 ILE CB C 13 39.621 0.045 A 28 ILE CD1 C 13 12.183 0.000 A 28 ILE CG1 C 13 27.762 0.036 A 28 ILE CG2 C 13 17.763 0.000 A 28 ILE N N 15 118.705 0.000 A 29 PHE H H 1 8.655 0.009 A 29 PHE HA H 1 4.619 0.002 A 29 PHE HBx H 1 2.858 0.004 A 29 PHE HBy H 1 3.112 0.009 A 29 PHE HDx H 1 7.025 0.006 A 29 PHE HDy H 1 7.025 0.006 A 29 PHE CA C 13 57.878 0.000 A 29 PHE CB C 13 40.453 0.039 A 29 PHE N N 15 120.413 0.000 A 30 GLY H H 1 8.447 0.007 A 30 GLY HAx H 1 4.105 0.010 A 30 GLY HAy H 1 4.503 0.004 A 30 GLY CA C 13 46.148 0.009 A 30 GLY N N 15 110.519 0.000 A 31 LEU H H 1 7.605 0.006 A 31 LEU HA H 1 4.916 0.003 A 31 LEU HBx H 1 1.445 0.007 A 31 LEU HBy H 1 1.445 0.007 A 31 LEU HDx% H 1 0.930 0.004 A 31 LEU HDy% H 1 0.873 0.003 A 31 LEU HG H 1 1.662 0.003 A 31 LEU CA C 13 53.446 0.000 A 31 LEU CB C 13 45.521 0.002 A 31 LEU N N 15 119.382 0.000 A 32 CYS H H 1 7.211 0.005 A 32 CYS HA H 1 5.075 0.004 A 32 CYS HBx H 1 2.654 0.003 A 32 CYS HBy H 1 2.735 0.008 A 32 CYS CB C 13 39.053 0.024 A 33 VAL H H 1 9.034 0.008 A 33 VAL HA H 1 4.690 0.002 A 33 VAL HB H 1 1.972 0.005 A 33 VAL HGx% H 1 0.901 0.004 A 33 VAL HGy% H 1 0.801 0.004 A 33 VAL CA C 13 58.545 0.000 A 33 VAL CB C 13 34.506 0.012 A 33 VAL N N 15 122.528 0.000 A 34 PRO HA H 1 4.945 0.008 A 34 PRO HBx H 1 1.813 0.004 A 34 PRO HBy H 1 2.130 0.006 A 34 PRO HDx H 1 3.628 0.004 A 34 PRO HDy H 1 3.738 0.005 A 34 PRO HGx H 1 1.814 0.009 A 34 PRO HGy H 1 1.980 0.005 A 34 PRO CA C 13 62.421 0.022 A 34 PRO CB C 13 32.653 0.055 A 34 PRO CD C 13 51.266 0.034 A 34 PRO CG C 13 27.919 0.033 A 35 ASP H H 1 8.026 0.007 A 35 ASP HA H 1 4.499 0.003 A 35 ASP HBx H 1 2.524 0.005 A 35 ASP HBy H 1 2.652 0.009 A 35 ASP CA C 13 52.887 0.000 A 35 ASP CB C 13 37.520 0.011 A 35 ASP N N 15 120.015 0.000 A 36 VAL H H 1 7.592 0.001 A 36 VAL HA H 1 4.103 0.002 A 36 VAL HB H 1 2.059 0.003 A 36 VAL HGx% H 1 0.830 0.005 A 36 VAL HGy% H 1 0.830 0.005 A 36 VAL CA C 13 60.922 0.000 A 36 VAL CB C 13 33.239 0.010 A 36 VAL N N 15 117.243 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 1 LEU HA A 1 LEU HG 1.0 1.8 4.12 2 2 A 1 LEU HA A 2 PRO HDy 1.0 1.8 3.35 3 3 A 1 LEU HA A 2 PRO HDx 1.0 1.8 3.35 4 4 A 2 PRO HBx A 3 ARG H 1.0 1.8 3.94 5 5 A 3 ARG H A 2 PRO HBy 1.0 1.8 3.94 6 6 A 3 ARG H A 2 PRO HA 1.0 1.8 3.26 7 7 A 3 ARG HA A 4 CYS H 1.0 1.8 2.98 8 8 A 4 CYS H A 4 CYS HBx 1.0 1.8 3.98 9 9 A 4 CYS H A 4 CYS HBy 1.0 1.8 3.98 10 10 A 4 CYS H A 5 ASP H 1.0 1.8 4.34 11 11 A 5 ASP H A 6 SER H 1.0 1.8 3.30 12 12 A 6 SER H A 4 CYS HBy 1.0 1.8 3.58 13 13 A 6 SER H A 6 SER HBy 1.0 1.8 3.92 14 14 A 6 SER H A 6 SER HBx 1.0 1.8 3.92 15 15 A 6 SER H A 4 CYS HA 1.0 1.8 5.08 16 16 A 7 PRO HDy A 8 PHE H 1.0 1.8 4.12 17 17 A 8 PHE H A 7 PRO HDx 1.0 1.8 3.56 18 18 A 8 PHE HA A 8 PHE HD% 1.0 1.8 3.91 19 19 A 9 CYS H A 8 PHE HBy 1.0 1.8 4.51 20 20 A 9 CYS H A 8 PHE HBx 1.0 1.8 4.51 21 21 A 15 GLY H A 15 GLY HAy 1.0 1.8 2.90 22 22 A 8 PHE HD% A 9 CYS H 1.0 1.8 4.02 23 23 A 9 CYS H A 30 GLY H 1.0 1.8 3.41 24 24 A 15 GLY H A 14 ILE H 1.0 1.8 3.15 25 25 A 15 GLY H A 16 LEU H 1.0 1.8 3.35 26 26 A 15 GLY H A 17 CYS H 1.0 1.8 5.20 27 27 A 10 SER H A 9 CYS HBx 1.0 1.8 3.92 28 28 A 10 SER H A 9 CYS HBy 1.0 1.8 3.92 29 29 A 10 SER H A 11 LEU H 1.0 1.8 4.69 30 30 A 8 PHE HD% A 30 GLY H 1.0 1.8 5.50 31 31 A 30 GLY H A 10 SER H 1.0 1.8 5.50 32 32 A 11 LEU H A 10 SER HA 1.0 1.8 2.93 33 33 A 11 LEU H A 28 ILE HG2% 1.0 1.8 3.55 34 34 A 11 LEU H A 11 LEU HDx% 1.0 1.8 4.23 35 35 A 11 LEU H A 11 LEU HDy% 1.0 1.8 4.23 36 36 A 11 LEU H A 11 LEU HG 1.0 1.8 3.17 37 37 A 11 LEU H A 25 PRO HBx 1.0 1.8 4.08 38 38 A 11 LEU H A 25 PRO HBy 1.0 1.8 3.70 39 39 A 19 ASP H A 19 ASP HBx 1.0 1.8 3.03 40 40 A 19 ASP H A 19 ASP HBy 1.0 1.8 3.78 41 41 A 11 LEU H A 11 LEU HA 1.0 1.8 2.79 42 42 A 11 LEU H A 28 ILE HA 1.0 1.8 4.36 43 43 A 11 LEU H A 12 PHE H 1.0 1.8 3.44 44 44 A 19 ASP H A 20 LYS H 1.0 1.8 2.83 45 45 A 28 ILE HG2% A 12 PHE H 1.0 1.8 4.45 46 46 A 12 PHE H A 11 LEU HBy 1.0 1.8 4.07 47 47 A 12 PHE H A 11 LEU HBx 1.0 1.8 4.07 48 48 A 11 LEU HG A 12 PHE H 1.0 1.8 4.50 49 49 A 12 PHE H A 13 ARG HBx 1.0 1.8 4.89 50 50 A 12 PHE H A 12 PHE HBy 1.0 1.8 3.83 51 51 A 12 PHE H A 12 PHE HBx 1.0 1.8 3.83 52 52 A 10 SER HA A 12 PHE H 1.0 1.8 4.58 53 53 A 12 PHE H A 13 ARG H 1.0 1.8 2.94 54 54 A 13 ARG H A 14 ILE HG2% 1.0 1.8 4.06 55 55 A 17 CYS H A 16 LEU HDy% 1.0 1.8 4.30 56 56 A 13 ARG H A 13 ARG HGx 1.0 1.8 5.20 57 57 A 13 ARG H A 13 ARG HGy 1.0 1.8 5.20 58 58 A 13 ARG HBx A 13 ARG H 1.0 1.8 3.39 59 59 A 13 ARG H A 13 ARG HBy 1.0 1.8 3.91 60 60 A 13 ARG H A 12 PHE HBy 1.0 1.8 4.31 61 61 A 13 ARG H A 12 PHE HBx 1.0 1.8 4.31 62 62 A 14 ILE H A 13 ARG H 1.0 1.8 3.91 63 63 A 14 ILE H A 13 ARG HA 1.0 1.8 2.82 64 64 A 14 ILE H A 14 ILE HD1% 1.0 1.8 4.05 65 65 A 14 ILE H A 14 ILE HG2% 1.0 1.8 2.97 66 66 A 14 ILE H A 14 ILE HG1x 1.0 1.8 3.07 67 67 A 14 ILE H A 14 ILE HG1y 1.0 1.8 3.49 68 68 A 14 ILE H A 13 ARG HBx 1.0 1.8 4.77 69 69 A 14 ILE H A 14 ILE HB 1.0 1.8 3.72 70 70 A 14 ILE HG2% A 14 ILE HA 1.0 1.8 3.17 71 71 A 14 ILE HD1% A 14 ILE HA 1.0 1.8 4.37 72 72 A 14 ILE H A 12 PHE HA 1.0 1.8 5.07 73 73 A 15 GLY H A 15 GLY HAx 1.0 1.8 2.90 74 74 A 15 GLY H A 14 ILE HG2% 1.0 1.8 4.36 75 75 A 15 GLY H A 14 ILE HD1% 1.0 1.8 4.59 76 76 A 15 GLY H A 16 LEU HDy% 1.0 1.8 4.79 77 77 A 15 GLY H A 14 ILE HG1y 1.0 1.8 3.74 78 78 A 15 GLY H A 14 ILE HG1x 1.0 1.8 4.02 79 79 A 15 GLY H A 14 ILE HB 1.0 1.8 4.25 80 80 A 9 CYS H A 16 LEU HG 1.0 1.8 5.30 81 81 A 15 GLY H A 16 LEU HBx 1.0 1.8 4.90 82 82 A 15 GLY H A 13 ARG HA 1.0 1.8 3.75 83 83 A 16 LEU H A 14 ILE HA 1.0 1.8 3.88 84 84 A 28 ILE HG2% A 12 PHE HD% 1.0 1.8 3.74 85 85 A 12 PHE HD% A 28 ILE HD1% 1.0 1.8 5.28 86 86 A 16 LEU H A 16 LEU HDx% 1.0 1.8 4.13 87 87 A 16 LEU H A 16 LEU HDy% 1.0 1.8 3.68 88 88 A 11 LEU HG A 12 PHE HD% 1.0 1.8 5.17 89 89 A 16 LEU H A 16 LEU HBy 1.0 1.8 3.59 90 90 A 16 LEU H A 16 LEU HBx 1.0 1.8 2.92 91 91 A 16 LEU H A 13 ARG HBy 1.0 1.8 4.39 92 92 A 12 PHE HA A 12 PHE HD% 1.0 1.8 3.43 93 93 A 16 LEU H A 13 ARG HA 1.0 1.8 4.77 94 94 A 16 LEU H A 9 CYS HA 1.0 1.8 5.42 95 95 A 16 LEU H A 17 CYS H 1.0 1.8 3.37 96 96 A 17 CYS H A 17 CYS HBx 1.0 1.8 3.60 97 97 A 17 CYS H A 17 CYS HBy 1.0 1.8 4.02 98 98 A 17 CYS HBy A 18 GLY H 1.0 1.8 4.35 99 99 A 17 CYS H A 14 ILE HA 1.0 1.8 4.56 100 100 A 11 LEU H A 13 ARG H 1.0 1.8 4.70 101 101 A 19 ASP H A 18 GLY H 1.0 1.8 4.89 102 102 A 19 ASP H A 21 CYS H 1.0 1.8 4.37 103 103 A 20 LYS H A 20 LYS HGy 1.0 1.8 3.61 104 104 A 20 LYS H A 20 LYS HGx 1.0 1.8 3.61 105 105 A 30 GLY H A 25 PRO HBy 1.0 1.8 4.40 106 106 A 20 LYS H A 20 LYS HBx 1.0 1.8 3.16 107 107 A 20 LYS H A 20 LYS HBy 1.0 1.8 3.78 108 108 A 19 ASP HBy A 20 LYS H 1.0 1.8 4.24 109 109 A 19 ASP HBx A 20 LYS H 1.0 1.8 5.06 110 110 A 30 GLY H A 25 PRO HA 1.0 1.8 4.19 111 111 A 30 GLY H A 29 PHE HA 1.0 1.8 2.95 112 112 A 30 GLY H A 10 SER HA 1.0 1.8 3.55 113 113 A 30 GLY H A 31 LEU H 1.0 1.8 4.54 114 114 A 20 LYS H A 21 CYS H 1.0 1.8 3.02 115 115 A 21 CYS H A 20 LYS HBx 1.0 1.8 4.11 116 116 A 21 CYS H A 20 LYS HBy 1.0 1.8 4.54 117 117 A 21 CYS H A 21 CYS HBy 1.0 1.8 4.08 118 118 A 17 CYS HBx A 21 CYS H 1.0 1.8 4.56 119 119 A 21 CYS H A 21 CYS HBx 1.0 1.8 4.11 120 120 A 21 CYS HA A 22 THR H 1.0 1.8 3.04 121 121 A 22 THR H A 33 VAL HGx% 1.0 1.8 4.06 122 122 A 22 THR H A 22 THR HG2% 1.0 1.8 4.00 123 123 A 21 CYS HBy A 22 THR H 1.0 1.8 3.50 124 124 A 17 CYS HBx A 22 THR H 1.0 1.8 5.50 125 125 A 17 CYS HBy A 22 THR H 1.0 1.8 4.95 126 126 A 21 CYS HBx A 22 THR H 1.0 1.8 3.95 127 127 A 22 THR H A 22 THR HB 1.0 1.8 3.27 128 128 A 22 THR H A 35 ASP H 1.0 1.8 4.54 129 129 A 22 THR H A 33 VAL H 1.0 1.8 3.46 130 130 A 22 THR HG2% A 23 CYS H 1.0 1.8 3.95 131 131 A 23 CYS H A 23 CYS HBy 1.0 1.8 4.13 132 132 A 23 CYS H A 23 CYS HBx 1.0 1.8 4.13 133 133 A 23 CYS H A 22 THR HA 1.0 1.8 3.32 134 134 A 23 CYS HA A 24 VAL H 1.0 1.8 2.94 135 135 A 24 VAL H A 24 VAL HB 1.0 1.8 3.25 136 136 A 24 VAL H A 23 CYS HBy 1.0 1.8 4.98 137 137 A 24 VAL H A 32 CYS HA 1.0 1.8 4.41 138 138 A 31 LEU H A 24 VAL H 1.0 1.8 4.20 139 139 A 26 LEU H A 26 LEU HDy% 1.0 1.8 4.74 140 140 A 26 LEU H A 26 LEU HDx% 1.0 1.8 4.74 141 141 A 25 PRO HA A 26 LEU H 1.0 1.8 3.22 142 142 A 28 ILE HA A 28 ILE HG1x 1.0 1.8 4.07 143 143 A 28 ILE HG2% A 28 ILE H 1.0 1.8 4.20 144 144 A 28 ILE HD1% A 28 ILE H 1.0 1.8 4.30 145 145 A 28 ILE H A 28 ILE HG1y 1.0 1.8 4.05 146 146 A 28 ILE H A 28 ILE HG1x 1.0 1.8 4.05 147 147 A 28 ILE H A 28 ILE HB 1.0 1.8 3.20 148 148 A 28 ILE H A 29 PHE H 1.0 1.8 3.10 149 149 A 35 ASP H A 36 VAL H 1.0 1.8 3.90 150 150 A 29 PHE H A 29 PHE HBx 1.0 1.8 3.94 151 151 A 29 PHE H A 29 PHE HBy 1.0 1.8 3.94 152 152 A 28 ILE HG2% A 29 PHE H 1.0 1.8 3.96 153 153 A 28 ILE HB A 29 PHE H 1.0 1.8 3.14 154 154 A 26 LEU H A 30 GLY HAy 1.0 1.8 4.21 155 155 A 26 LEU H A 30 GLY HAx 1.0 1.8 3.70 156 156 A 32 CYS H A 31 LEU HBx 1.0 1.8 4.23 157 157 A 32 CYS H A 31 LEU HBy 1.0 1.8 4.23 158 158 A 32 CYS H A 31 LEU HA 1.0 1.8 3.09 159 159 A 33 VAL HGx% A 33 VAL H 1.0 1.8 3.15 160 160 A 33 VAL H A 33 VAL HGy% 1.0 1.8 4.14 161 161 A 22 THR HG2% A 33 VAL H 1.0 1.8 4.90 162 162 A 33 VAL H A 33 VAL HB 1.0 1.8 3.40 163 163 A 21 CYS HBy A 33 VAL H 1.0 1.8 4.61 164 164 A 21 CYS HBx A 33 VAL H 1.0 1.8 4.77 165 165 A 22 THR HB A 33 VAL H 1.0 1.8 4.53 166 166 A 33 VAL H A 23 CYS HA 1.0 1.8 4.30 167 167 A 33 VAL H A 32 CYS HA 1.0 1.8 2.95 168 168 A 33 VAL H A 24 VAL H 1.0 1.8 5.27 169 169 A 33 VAL HA A 34 PRO HDy 1.0 1.8 2.95 170 170 A 33 VAL HA A 34 PRO HDx 1.0 1.8 2.95 171 171 A 35 ASP H A 34 PRO HA 1.0 1.8 2.74 172 172 A 35 ASP H A 34 PRO HBy 1.0 1.8 4.16 173 173 A 35 ASP H A 34 PRO HGx 1.0 1.8 5.03 174 174 A 35 ASP H A 34 PRO HBx 1.0 1.8 4.16 175 175 A 21 CYS HBy A 35 ASP H 1.0 1.8 4.58 176 176 A 35 ASP H A 35 ASP HBx 1.0 1.8 3.64 177 177 A 35 ASP H A 35 ASP HBy 1.0 1.8 3.64 178 178 A 21 CYS HA A 35 ASP H 1.0 1.8 3.52 179 179 A 36 VAL H A 36 VAL HGx% 1.0 1.8 4.43 180 180 A 36 VAL H A 36 VAL HGy% 1.0 1.8 4.43 181 181 A 36 VAL H A 36 VAL HB 1.0 1.8 3.90 182 182 A 36 VAL H A 35 ASP HBy 1.0 1.8 4.24 183 183 A 36 VAL H A 35 ASP HBx 1.0 1.8 4.24 184 184 A 31 LEU H A 30 GLY HAx 1.0 1.8 3.00 185 185 A 7 PRO HDx A 6 SER HA 1.0 1.8 3.09 186 186 A 22 THR HG2% A 24 VAL H 1.0 1.8 4.86 187 187 A 3 ARG H A 3 ARG HBy 1.0 1.8 4.01 188 188 A 3 ARG H A 3 ARG HBx 1.0 1.8 4.01 189 189 A 3 ARG H A 3 ARG HDx 1.0 1.8 5.50 190 190 A 3 ARG H A 3 ARG HDy 1.0 1.8 5.50 191 191 A 22 THR H A 34 PRO HA 1.0 1.8 4.17 192 192 A 22 THR H A 23 CYS H 1.0 1.8 4.96 193 193 A 8 PHE HA A 30 GLY H 1.0 1.8 5.50 194 194 A 24 VAL H A 30 GLY HAy 1.0 1.8 4.79 195 195 A 24 VAL H A 23 CYS HBx 1.0 1.8 4.98 196 196 A 35 ASP H A 33 VAL HGy% 1.0 1.8 5.02 197 197 A 35 ASP H A 36 VAL HGx% 1.0 1.8 5.50 198 198 A 35 ASP H A 36 VAL HGy% 1.0 1.8 5.50 199 199 A 28 ILE HD1% A 29 PHE H 1.0 1.8 4.71 200 200 A 36 VAL H A 34 PRO HA 1.0 1.8 4.63 201 201 A 6 SER H A 4 CYS HBx 1.0 1.8 3.58 202 202 A 6 SER H A 7 PRO HDx 1.0 1.8 4.95 203 203 A 10 SER H A 9 CYS HA 1.0 1.8 3.30 204 204 A 23 CYS HA A 32 CYS HA 1.0 1.8 3.86 205 205 A 21 CYS HBy A 34 PRO HA 1.0 1.8 4.34 206 206 A 17 CYS HBy A 21 CYS HA 1.0 1.8 4.86 207 207 A 7 PRO HDy A 6 SER HA 1.0 1.8 2.93 208 208 A 16 LEU HBx A 9 CYS HA 1.0 1.8 4.23 209 209 A 26 LEU HA A 26 LEU HG 1.0 1.8 3.82 210 210 A 25 PRO HBy A 26 LEU HA 1.0 1.8 5.50 211 211 A 4 CYS HA A 3 ARG HBx 1.0 1.8 5.34 212 212 A 25 PRO HBx A 26 LEU HA 1.0 1.8 4.66 213 213 A 4 CYS HA A 3 ARG HBy 1.0 1.8 5.34 214 214 A 33 VAL HGy% A 33 VAL HA 1.0 1.8 3.26 215 215 A 33 VAL HGx% A 33 VAL HA 1.0 1.8 3.27 216 216 A 16 LEU HDx% A 9 CYS HA 1.0 1.8 4.69 217 217 A 33 VAL HGx% A 23 CYS HA 1.0 1.8 5.05 218 218 A 25 PRO HA A 30 GLY HAx 1.0 1.8 3.49 219 219 A 17 CYS HBy A 22 THR HA 1.0 1.8 4.18 220 220 A 17 CYS HBx A 22 THR HA 1.0 1.8 4.19 221 221 A 21 CYS HBx A 22 THR HA 1.0 1.8 4.53 222 222 A 13 ARG HA A 13 ARG HDx 1.0 1.8 4.10 223 223 A 13 ARG HA A 13 ARG HDy 1.0 1.8 4.10 224 224 A 30 GLY HAx A 26 LEU HG 1.0 1.8 4.33 225 225 A 30 GLY HAx A 31 LEU HG 1.0 1.8 4.66 226 226 A 20 LYS HA A 20 LYS HDx 1.0 1.8 4.54 227 227 A 20 LYS HA A 20 LYS HDy 1.0 1.8 4.54 228 228 A 2 PRO HA A 3 ARG HBx 1.0 1.8 5.50 229 229 A 2 PRO HA A 3 ARG HBy 1.0 1.8 5.50 230 230 A 22 THR HG2% A 22 THR HA 1.0 1.8 3.25 231 231 A 16 LEU HDy% A 13 ARG HA 1.0 1.8 4.31 232 232 A 14 ILE HG2% A 13 ARG HA 1.0 1.8 4.43 233 233 A 30 GLY HAx A 26 LEU HDx% 1.0 1.8 5.11 234 234 A 33 VAL HGx% A 35 ASP HA 1.0 1.8 4.48 235 235 A 33 VAL HGy% A 35 ASP HA 1.0 1.8 4.46 236 236 A 30 GLY HAx A 26 LEU HDy% 1.0 1.8 5.11 237 237 A 14 ILE HG2% A 12 PHE HA 1.0 1.8 4.68 238 238 A 25 PRO HA A 30 GLY HAy 1.0 1.8 2.99 239 239 A 3 ARG HA A 3 ARG HDx 1.0 1.8 5.42 240 240 A 3 ARG HA A 3 ARG HDy 1.0 1.8 5.42 241 241 A 25 PRO HBy A 28 ILE HA 1.0 1.8 4.16 242 242 A 16 LEU HG A 16 LEU HA 1.0 1.8 4.11 243 243 A 3 ARG HA A 3 ARG HGx 1.0 1.8 3.92 244 244 A 3 ARG HA A 3 ARG HGy 1.0 1.8 3.92 245 245 A 28 ILE HA A 28 ILE HD1% 1.0 1.8 3.89 246 246 A 28 ILE HG2% A 28 ILE HA 1.0 1.8 3.29 247 247 A 28 ILE HA A 28 ILE HG1y 1.0 1.8 4.07 248 248 A 16 LEU HDx% A 16 LEU HA 1.0 1.8 3.05 249 249 A 11 LEU HG A 11 LEU HA 1.0 1.8 4.16 250 250 A 11 LEU HA A 14 ILE HG1x 1.0 1.8 5.32 251 251 A 7 PRO HDx A 16 LEU HBy 1.0 1.8 4.63 252 252 A 25 PRO HA A 26 LEU HBy 1.0 1.8 4.79 253 253 A 11 LEU HA A 11 LEU HDy% 1.0 1.8 4.26 254 254 A 11 LEU HA A 14 ILE HD1% 1.0 1.8 4.71 255 255 A 11 LEU HA A 11 LEU HDx% 1.0 1.8 4.26 256 256 A 1 LEU HA A 1 LEU HDx% 1.0 1.8 3.22 257 256 A 1 LEU HA A 1 LEU HD21 1.0 1.8 3.22 258 257 A 1 LEU HA A 2 PRO HDx 1.0 1.8 2.73 259 257 A 1 LEU HA A 2 PRO HDy 1.0 1.8 2.73 260 258 A 1 LEU HBy A 2 PRO HDx 1.0 1.8 3.31 261 258 A 1 LEU HBx A 2 PRO HDx 1.0 1.8 3.31 262 258 A 2 PRO HDy A 1 LEU HBx 1.0 1.8 3.31 263 258 A 2 PRO HDy A 1 LEU HBy 1.0 1.8 3.31 264 259 A 1 LEU HG A 2 PRO HDx 1.0 1.8 4.23 265 259 A 1 LEU HG A 2 PRO HDy 1.0 1.8 4.23 266 260 A 2 PRO HA A 3 ARG HGy 1.0 1.8 4.50 267 260 A 2 PRO HA A 3 ARG HGx 1.0 1.8 4.50 268 261 A 3 ARG H A 2 PRO HGx 1.0 1.8 4.63 269 261 A 3 ARG H A 2 PRO HGy 1.0 1.8 4.63 270 262 A 3 ARG H A 3 ARG HBy 1.0 1.8 3.50 271 262 A 3 ARG H A 3 ARG HBx 1.0 1.8 3.50 272 263 A 3 ARG HA A 3 ARG HGy 1.0 1.8 3.32 273 263 A 3 ARG HA A 3 ARG HGx 1.0 1.8 3.32 274 264 A 3 ARG HA A 3 ARG HDy 1.0 1.8 4.68 275 264 A 3 ARG HA A 3 ARG HDx 1.0 1.8 4.68 276 265 A 4 CYS H A 3 ARG HBy 1.0 1.8 4.15 277 265 A 4 CYS H A 3 ARG HBx 1.0 1.8 4.15 278 266 A 4 CYS HA A 3 ARG HBy 1.0 1.8 4.52 279 266 A 4 CYS HA A 3 ARG HBx 1.0 1.8 4.52 280 267 A 4 CYS H A 4 CYS HBx 1.0 1.8 3.12 281 267 A 4 CYS H A 4 CYS HBy 1.0 1.8 3.12 282 268 A 5 ASP H A 4 CYS HBx 1.0 1.8 3.57 283 268 A 5 ASP H A 4 CYS HBy 1.0 1.8 3.57 284 269 A 5 ASP H A 5 ASP HBx 1.0 1.8 3.29 285 269 A 5 ASP H A 5 ASP HBy 1.0 1.8 3.29 286 270 A 6 SER H A 5 ASP HBx 1.0 1.8 4.42 287 270 A 6 SER H A 5 ASP HBy 1.0 1.8 4.42 288 271 A 6 SER H A 6 SER HBy 1.0 1.8 3.43 289 271 A 6 SER H A 6 SER HBx 1.0 1.8 3.43 290 272 A 6 SER HBy A 7 PRO HGx 1.0 1.8 5.04 291 272 A 6 SER HBx A 7 PRO HGx 1.0 1.8 5.04 292 272 A 7 PRO HGy A 6 SER HBy 1.0 1.8 5.04 293 272 A 6 SER HBx A 7 PRO HGy 1.0 1.8 5.04 294 273 A 16 LEU HBx A 6 SER HBy 1.0 1.8 4.73 295 273 A 16 LEU HBx A 6 SER HBx 1.0 1.8 4.73 296 274 A 16 LEU HBy A 6 SER HBy 1.0 1.8 3.98 297 274 A 16 LEU HBy A 6 SER HBx 1.0 1.8 3.98 298 275 A 16 LEU HG A 6 SER HBy 1.0 1.8 5.34 299 275 A 16 LEU HG A 6 SER HBx 1.0 1.8 5.34 300 276 A 8 PHE H A 7 PRO HGx 1.0 1.8 3.78 301 276 A 8 PHE H A 7 PRO HGy 1.0 1.8 3.78 302 277 A 8 PHE H A 8 PHE HBy 1.0 1.8 3.58 303 277 A 8 PHE H A 8 PHE HBx 1.0 1.8 3.58 304 278 A 9 CYS H A 8 PHE HBy 1.0 1.8 3.78 305 278 A 9 CYS H A 8 PHE HBx 1.0 1.8 3.78 306 279 A 30 GLY H A 8 PHE HBy 1.0 1.8 5.10 307 279 A 30 GLY H A 8 PHE HBx 1.0 1.8 5.10 308 280 A 10 SER H A 9 CYS HBx 1.0 1.8 3.26 309 280 A 10 SER H A 9 CYS HBy 1.0 1.8 3.26 310 281 A 14 ILE HA A 9 CYS HBx 1.0 1.8 4.87 311 281 A 14 ILE HA A 9 CYS HBy 1.0 1.8 4.87 312 282 A 16 LEU HBx A 9 CYS HBx 1.0 1.8 4.74 313 282 A 16 LEU HBx A 9 CYS HBy 1.0 1.8 4.74 314 283 A 30 GLY H A 9 CYS HBx 1.0 1.8 4.80 315 283 A 30 GLY H A 9 CYS HBy 1.0 1.8 4.80 316 284 A 30 GLY HAy A 9 CYS HBx 1.0 1.8 5.34 317 284 A 30 GLY HAy A 9 CYS HBy 1.0 1.8 5.34 318 285 A 10 SER H A 10 SER HBx 1.0 1.8 3.70 319 285 A 10 SER H A 10 SER HBy 1.0 1.8 3.70 320 286 A 11 LEU H A 10 SER HBx 1.0 1.8 3.02 321 286 A 11 LEU H A 10 SER HBy 1.0 1.8 3.02 322 287 A 10 SER HBx A 11 LEU HBy 1.0 1.8 4.68 323 287 A 10 SER HBy A 11 LEU HBy 1.0 1.8 4.68 324 287 A 11 LEU HBx A 10 SER HBx 1.0 1.8 4.68 325 287 A 10 SER HBy A 11 LEU HBx 1.0 1.8 4.68 326 288 A 12 PHE H A 10 SER HBx 1.0 1.8 3.82 327 288 A 12 PHE H A 10 SER HBy 1.0 1.8 3.82 328 289 A 12 PHE HD% A 10 SER HBx 1.0 1.8 3.86 329 289 A 12 PHE HD% A 10 SER HBy 1.0 1.8 3.86 330 290 A 13 ARG H A 10 SER HBx 1.0 1.8 4.46 331 290 A 13 ARG H A 10 SER HBy 1.0 1.8 4.46 332 291 A 13 ARG HBx A 10 SER HBx 1.0 1.8 3.91 333 291 A 13 ARG HBx A 10 SER HBy 1.0 1.8 3.91 334 292 A 30 GLY H A 10 SER HBx 1.0 1.8 4.99 335 292 A 30 GLY H A 10 SER HBy 1.0 1.8 4.99 336 293 A 11 LEU H A 11 LEU HBy 1.0 1.8 2.80 337 293 A 11 LEU H A 11 LEU HBx 1.0 1.8 2.80 338 294 A 11 LEU H A 11 LEU HDy% 1.0 1.8 3.65 339 294 A 11 LEU H A 11 LEU HDx% 1.0 1.8 3.65 340 295 A 11 LEU H A 12 PHE HBy 1.0 1.8 5.09 341 295 A 11 LEU H A 12 PHE HBx 1.0 1.8 5.09 342 296 A 11 LEU HA A 11 LEU HDy% 1.0 1.8 3.44 343 296 A 11 LEU HA A 11 LEU HDx% 1.0 1.8 3.44 344 297 A 11 LEU HA A 25 PRO HGx 1.0 1.8 4.36 345 297 A 11 LEU HA A 25 PRO HGy 1.0 1.8 4.36 346 298 A 12 PHE HD% A 11 LEU HBy 1.0 1.8 5.04 347 298 A 12 PHE HD% A 11 LEU HBx 1.0 1.8 5.04 348 299 A 28 ILE HA A 11 LEU HBy 1.0 1.8 4.75 349 299 A 28 ILE HA A 11 LEU HBx 1.0 1.8 4.75 350 300 A 12 PHE H A 11 LEU HDy% 1.0 1.8 4.76 351 300 A 12 PHE H A 11 LEU HDx% 1.0 1.8 4.76 352 301 A 12 PHE HD% A 11 LEU HDy% 1.0 1.8 4.49 353 301 A 12 PHE HD% A 11 LEU HDx% 1.0 1.8 4.49 354 302 A 12 PHE H A 12 PHE HBy 1.0 1.8 3.11 355 302 A 12 PHE H A 12 PHE HBx 1.0 1.8 3.11 356 303 A 13 ARG H A 12 PHE HBy 1.0 1.8 3.60 357 303 A 13 ARG H A 12 PHE HBx 1.0 1.8 3.60 358 304 A 13 ARG HA A 12 PHE HBy 1.0 1.8 4.79 359 304 A 13 ARG HA A 12 PHE HBx 1.0 1.8 4.79 360 305 A 13 ARG H A 13 ARG HGy 1.0 1.8 4.33 361 305 A 13 ARG H A 13 ARG HGx 1.0 1.8 4.33 362 306 A 13 ARG HA A 13 ARG HGy 1.0 1.8 3.68 363 306 A 13 ARG HA A 13 ARG HGx 1.0 1.8 3.68 364 307 A 13 ARG HA A 13 ARG HDy 1.0 1.8 3.56 365 307 A 13 ARG HA A 13 ARG HDx 1.0 1.8 3.56 366 308 A 14 ILE H A 15 GLY HAx 1.0 1.8 4.33 367 308 A 14 ILE H A 15 GLY HAy 1.0 1.8 4.33 368 309 A 14 ILE HG1y A 15 GLY HAx 1.0 1.8 4.75 369 309 A 14 ILE HG1y A 15 GLY HAy 1.0 1.8 4.75 370 310 A 17 CYS H A 15 GLY HAx 1.0 1.8 4.67 371 310 A 17 CYS H A 15 GLY HAy 1.0 1.8 4.67 372 311 A 19 ASP H A 18 GLY HAx 1.0 1.8 2.84 373 311 A 19 ASP H A 18 GLY HAy 1.0 1.8 2.84 374 312 A 19 ASP HBy A 18 GLY HAx 1.0 1.8 4.59 375 312 A 19 ASP HBy A 18 GLY HAy 1.0 1.8 4.59 376 313 A 20 LYS H A 20 LYS HGy 1.0 1.8 3.07 377 313 A 20 LYS H A 20 LYS HGx 1.0 1.8 3.07 378 314 A 20 LYS HA A 20 LYS HDx 1.0 1.8 3.98 379 314 A 20 LYS HA A 20 LYS HDy 1.0 1.8 3.98 380 315 A 22 THR H A 32 CYS HBx 1.0 1.8 5.34 381 315 A 22 THR H A 32 CYS HBy 1.0 1.8 5.34 382 316 A 22 THR HA A 23 CYS HBx 1.0 1.8 4.62 383 316 A 22 THR HA A 23 CYS HBy 1.0 1.8 4.62 384 317 A 23 CYS H A 23 CYS HBx 1.0 1.8 3.49 385 317 A 23 CYS H A 23 CYS HBy 1.0 1.8 3.49 386 318 A 23 CYS HA A 24 VAL HGx% 1.0 1.8 4.63 387 318 A 23 CYS HA A 24 VAL HGy% 1.0 1.8 4.63 388 319 A 24 VAL H A 23 CYS HBx 1.0 1.8 4.32 389 319 A 24 VAL H A 23 CYS HBy 1.0 1.8 4.32 390 320 A 30 GLY H A 23 CYS HBx 1.0 1.8 4.75 391 320 A 30 GLY H A 23 CYS HBy 1.0 1.8 4.75 392 321 A 30 GLY HAx A 23 CYS HBx 1.0 1.8 5.34 393 321 A 30 GLY HAx A 23 CYS HBy 1.0 1.8 5.34 394 322 A 30 GLY HAy A 23 CYS HBx 1.0 1.8 4.47 395 322 A 30 GLY HAy A 23 CYS HBy 1.0 1.8 4.47 396 323 A 24 VAL H A 24 VAL HGx% 1.0 1.8 3.09 397 323 A 24 VAL H A 24 VAL HGy% 1.0 1.8 3.09 398 324 A 24 VAL H A 25 PRO HDx 1.0 1.8 4.41 399 324 A 24 VAL H A 25 PRO HDy 1.0 1.8 4.41 400 325 A 24 VAL H A 31 LEU HBy 1.0 1.8 5.31 401 325 A 24 VAL H A 31 LEU HBx 1.0 1.8 5.31 402 326 A 30 GLY HAy A 25 PRO HGx 1.0 1.8 5.35 403 326 A 30 GLY HAy A 25 PRO HGy 1.0 1.8 5.35 404 327 A 26 LEU HA A 26 LEU HDy% 1.0 1.8 3.84 405 327 A 26 LEU HA A 26 LEU HDx% 1.0 1.8 3.84 406 328 A 30 GLY HAx A 26 LEU HDy% 1.0 1.8 4.07 407 328 A 30 GLY HAx A 26 LEU HDx% 1.0 1.8 4.07 408 329 A 28 ILE H A 28 ILE HG1y 1.0 1.8 3.54 409 329 A 28 ILE H A 28 ILE HG1x 1.0 1.8 3.54 410 330 A 28 ILE HA A 28 ILE HG1y 1.0 1.8 3.34 411 330 A 28 ILE HA A 28 ILE HG1x 1.0 1.8 3.34 412 331 A 29 PHE H A 29 PHE HBy 1.0 1.8 3.24 413 331 A 29 PHE H A 29 PHE HBx 1.0 1.8 3.24 414 332 A 30 GLY H A 29 PHE HBy 1.0 1.8 3.67 415 332 A 30 GLY H A 29 PHE HBx 1.0 1.8 3.67 416 333 A 30 GLY HAx A 29 PHE HBy 1.0 1.8 4.64 417 333 A 30 GLY HAx A 29 PHE HBx 1.0 1.8 4.64 418 334 A 30 GLY HAx A 31 LEU HDx% 1.0 1.8 4.46 419 334 A 30 GLY HAx A 31 LEU HDy% 1.0 1.8 4.46 420 335 A 31 LEU H A 31 LEU HBy 1.0 1.8 3.61 421 335 A 31 LEU H A 31 LEU HBx 1.0 1.8 3.61 422 336 A 32 CYS H A 31 LEU HBy 1.0 1.8 3.66 423 336 A 32 CYS H A 31 LEU HBx 1.0 1.8 3.66 424 337 A 32 CYS H A 31 LEU HDx% 1.0 1.8 3.62 425 337 A 32 CYS H A 31 LEU HDy% 1.0 1.8 3.62 426 338 A 32 CYS H A 32 CYS HBx 1.0 1.8 3.20 427 338 A 32 CYS H A 32 CYS HBy 1.0 1.8 3.20 428 339 A 33 VAL H A 32 CYS HBx 1.0 1.8 4.06 429 339 A 33 VAL H A 32 CYS HBy 1.0 1.8 4.06 430 340 A 33 VAL H A 34 PRO HDx 1.0 1.8 4.86 431 340 A 33 VAL H A 34 PRO HDy 1.0 1.8 4.86 432 341 A 33 VAL HA A 34 PRO HDx 1.0 1.8 2.56 433 341 A 33 VAL HA A 34 PRO HDy 1.0 1.8 2.56 434 342 A 35 ASP H A 34 PRO HBx 1.0 1.8 3.50 435 342 A 35 ASP H A 34 PRO HBy 1.0 1.8 3.50 436 343 A 35 ASP H A 35 ASP HBy 1.0 1.8 2.98 437 343 A 35 ASP H A 35 ASP HBx 1.0 1.8 2.98 438 344 A 35 ASP H A 36 VAL HGx% 1.0 1.8 4.82 439 344 A 35 ASP H A 36 VAL HGy% 1.0 1.8 4.82 440 345 A 36 VAL H A 35 ASP HBy 1.0 1.8 3.59 441 345 A 36 VAL H A 35 ASP HBx 1.0 1.8 3.59 442 346 A 36 VAL HA A 35 ASP HBy 1.0 1.8 4.21 443 346 A 35 ASP HBx A 36 VAL HA 1.0 1.8 4.21 444 347 A 36 VAL H A 36 VAL HGx% 1.0 1.8 3.85 445 347 A 36 VAL H A 36 VAL HGy% 1.0 1.8 3.85 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 22 THR H A 33 VAL O 1.0 0.0 2.0 2 2 A 33 VAL O A 22 THR N 1.0 0.0 3.0 3 3 A 33 VAL H A 22 THR O 1.0 0.0 2.0 4 4 A 22 THR O A 33 VAL N 1.0 0.0 3.0 5 5 A 24 VAL H A 31 LEU O 1.0 0.0 2.0 6 6 A 31 LEU O A 24 VAL N 1.0 0.0 3.0 7 7 A 9 CYS H A 30 GLY O 1.0 0.0 2.0 8 8 A 30 GLY O A 9 CYS 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 2 PRO C A 3 ARG N A 3 ARG CA A 3 ARG C 1.0 -180.0 -20.0 PHI 2 2 A 4 CYS C A 5 ASP N A 5 ASP CA A 5 ASP C 1.0 30.0 90.0 PHI 3 3 A 5 ASP N A 5 ASP CA A 5 ASP C A 6 SER N 1.0 0.0 80.0 PSI 4 4 A 5 ASP C A 6 SER N A 6 SER CA A 6 SER C 1.0 -150.0 -40.0 PHI 5 5 A 6 SER N A 6 SER CA A 6 SER C A 7 PRO N 1.0 110.0 180.0 PSI 6 6 A 7 PRO C A 8 PHE N A 8 PHE CA A 8 PHE C 1.0 -170.0 -80.0 PHI 7 7 A 8 PHE N A 8 PHE CA A 8 PHE C A 9 CYS N 1.0 120.0 180.0 PSI 8 8 A 9 CYS C A 10 SER N A 10 SER CA A 10 SER C 1.0 -160.0 -100.0 PHI 9 9 A 10 SER N A 10 SER CA A 10 SER C A 11 LEU N 1.0 120.0 180.0 PSI 10 10 A 10 SER C A 11 LEU N A 11 LEU CA A 11 LEU C 1.0 -100.0 -40.0 PHI 11 11 A 11 LEU N A 11 LEU CA A 11 LEU C A 12 PHE N 1.0 -50.0 10.0 PSI 12 12 A 12 PHE C A 13 ARG N A 13 ARG CA A 13 ARG C 1.0 -140.0 -60.0 PHI 13 13 A 13 ARG N A 13 ARG CA A 13 ARG C A 14 ILE N 1.0 80.0 160.0 PSI 14 14 A 16 LEU C A 17 CYS N A 17 CYS CA A 17 CYS C 1.0 -180.0 -20.0 PHI 15 15 A 18 GLY C A 19 ASP N A 19 ASP CA A 19 ASP C 1.0 30.0 90.0 PHI 16 16 A 19 ASP C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -120.0 -40.0 PHI 17 17 A 20 LYS N A 20 LYS CA A 20 LYS C A 21 CYS N 1.0 -55.0 15.0 PSI 18 18 A 20 LYS C A 21 CYS N A 21 CYS CA A 21 CYS C 1.0 -170.0 -110.0 PHI 19 19 A 21 CYS N A 21 CYS CA A 21 CYS C A 22 THR N 1.0 120.0 180.0 PSI 20 20 A 21 CYS C A 22 THR N A 22 THR CA A 22 THR C 1.0 -150.0 -90.0 PHI 21 21 A 22 THR N A 22 THR CA A 22 THR C A 23 CYS N 1.0 100.0 160.0 PSI 22 22 A 22 THR C A 23 CYS N A 23 CYS CA A 23 CYS C 1.0 -130.0 -70.0 PHI 23 23 A 23 CYS C A 24 VAL N A 24 VAL CA A 24 VAL C 1.0 -130.0 -70.0 PHI 24 24 A 24 VAL N A 24 VAL CA A 24 VAL C A 25 PRO N 1.0 90.0 170.0 PSI 25 25 A 25 PRO C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -160.0 -40.0 PHI 26 26 A 26 LEU N A 26 LEU CA A 26 LEU C A 27 PRO N 1.0 90.0 150.0 PSI 27 27 A 27 PRO C A 28 ILE N A 28 ILE CA A 28 ILE C 1.0 -140.0 -60.0 PHI 28 28 A 30 GLY C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -150.0 -80.0 PHI 29 29 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 CYS N 1.0 95.0 165.0 PSI 30 30 A 31 LEU C A 32 CYS N A 32 CYS CA A 32 CYS C 1.0 -120.0 -40.0 PHI 31 31 A 32 CYS N A 32 CYS CA A 32 CYS C A 33 VAL N 1.0 100.0 160.0 PSI 32 32 A 32 CYS C A 33 VAL N A 33 VAL CA A 33 VAL C 1.0 -150.0 -80.0 PHI 33 33 A 33 VAL N A 33 VAL CA A 33 VAL C A 34 PRO N 1.0 90.0 150.0 PSI 34 34 A 34 PRO C A 35 ASP N A 35 ASP CA A 35 ASP C 1.0 -180.0 -20.0 PHI stop_ save_