data_nef_c30164_5t4r save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5T4R 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 2 CYS SG 1 16 CYS SG 1 9 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 ASP start . . 2 A 2 CYS middle -HG . 3 A 3 ARG middle . . 4 A 4 TYR middle . . 5 A 5 MET middle . . 6 A 6 PHE middle . . 7 A 7 GLY middle . false 8 A 8 ASP middle . . 9 A 9 CYS middle -HG . 10 A 10 GLU middle . . 11 A 11 LYS middle . . 12 A 12 ASP middle . . 13 A 13 GLU middle . . 14 A 14 ASP middle . . 15 A 15 CYS middle -HG . 16 A 16 CYS middle -HG . 17 A 17 LYS middle . . 18 A 18 HIS middle . . 19 A 19 LEU middle . . 20 A 20 GLY middle . false 21 A 21 CYS middle -HG . 22 A 22 LYS middle . . 23 A 23 ARG middle . . 24 A 24 LYS middle . . 25 A 25 MET middle . . 26 A 26 LYS middle . . 27 A 27 TYR middle . . 28 A 28 CYS middle -HG . 29 A 29 ALA middle . . 30 A 30 TRP middle . . 31 A 31 ASP middle . . 32 A 32 PHE middle . . 33 A 33 THR middle . . 34 A 34 PHE middle . . 35 A 35 THR 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 ASP HA H 1 4.319 0.000 A 1 ASP HBy H 1 2.946 0.000 A 1 ASP HBx H 1 2.751 0.000 A 1 ASP CA C 13 52.997 0.000 A 1 ASP CB C 13 40.789 0.000 A 2 CYS H H 1 8.632 0.000 A 2 CYS HA H 1 4.610 0.002 A 2 CYS HBy H 1 3.030 0.006 A 2 CYS HBx H 1 2.696 0.005 A 2 CYS CA C 13 54.571 0.000 A 2 CYS CB C 13 41.488 0.000 A 2 CYS N N 15 117.848 0.000 A 3 ARG H H 1 8.844 0.005 A 3 ARG HA H 1 4.451 0.002 A 3 ARG HBx H 1 1.959 0.005 A 3 ARG HBy H 1 1.959 0.005 A 3 ARG HDx H 1 3.273 0.000 A 3 ARG HDy H 1 3.273 0.000 A 3 ARG HE H 1 7.235 0.000 A 3 ARG HGy H 1 1.811 0.003 A 3 ARG HGx H 1 1.755 0.000 A 3 ARG CA C 13 56.155 0.000 A 3 ARG CB C 13 32.014 0.009 A 3 ARG CG C 13 28.008 0.000 A 3 ARG N N 15 120.762 0.000 A 4 TYR H H 1 8.193 0.005 A 4 TYR HA H 1 4.259 0.000 A 4 TYR HBy H 1 3.300 0.000 A 4 TYR HBx H 1 2.785 0.000 A 4 TYR HDx H 1 7.145 0.000 A 4 TYR HDy H 1 7.145 0.000 A 4 TYR HEx H 1 6.893 0.006 A 4 TYR HEy H 1 6.893 0.006 A 4 TYR CA C 13 56.672 0.000 A 4 TYR CB C 13 38.460 0.000 A 4 TYR N N 15 120.274 0.000 A 5 MET H H 1 7.693 0.004 A 5 MET HA H 1 3.522 0.001 A 5 MET HBy H 1 1.654 0.002 A 5 MET HBx H 1 1.565 0.000 A 5 MET HE% H 1 1.828 0.000 A 5 MET HGy H 1 1.875 0.003 A 5 MET HGx H 1 1.724 0.006 A 5 MET CA C 13 57.480 0.000 A 5 MET CB C 13 31.945 0.000 A 5 MET CG C 13 31.035 0.000 A 5 MET N N 15 119.249 0.000 A 6 PHE H H 1 8.985 0.003 A 6 PHE HA H 1 3.761 0.005 A 6 PHE HBy H 1 3.462 0.000 A 6 PHE HBx H 1 3.146 0.000 A 6 PHE HDx H 1 6.670 0.003 A 6 PHE HDy H 1 6.670 0.003 A 6 PHE HEx H 1 7.293 0.002 A 6 PHE HEy H 1 7.293 0.002 A 6 PHE CA C 13 60.682 0.000 A 6 PHE CB C 13 35.953 0.000 A 6 PHE N N 15 120.686 0.000 A 7 GLY H H 1 8.979 0.003 A 7 GLY HAx H 1 3.507 0.003 A 7 GLY HAy H 1 4.242 0.000 A 7 GLY CA C 13 44.934 0.000 A 7 GLY N N 15 109.979 0.000 A 8 ASP H H 1 8.595 0.000 A 8 ASP HA H 1 4.922 0.000 A 8 ASP HBy H 1 2.878 0.000 A 8 ASP HBx H 1 2.727 0.000 A 8 ASP CA C 13 54.726 0.000 A 8 ASP CB C 13 40.133 0.000 A 8 ASP N N 15 121.953 0.000 A 9 CYS H H 1 7.833 0.000 A 9 CYS HA H 1 4.841 0.000 A 9 CYS HBx H 1 3.175 0.002 A 9 CYS HBy H 1 3.175 0.002 A 9 CYS CA C 13 54.109 0.000 A 9 CYS CB C 13 46.852 0.000 A 9 CYS N N 15 114.087 0.000 A 10 GLU H H 1 9.236 0.000 A 10 GLU HA H 1 4.457 0.007 A 10 GLU HBy H 1 2.119 0.000 A 10 GLU HBx H 1 1.907 0.000 A 10 GLU HGx H 1 2.389 0.000 A 10 GLU HGy H 1 2.389 0.000 A 10 GLU CA C 13 55.289 0.000 A 10 GLU CB C 13 31.407 0.000 A 10 GLU CG C 13 34.021 0.000 A 10 GLU N N 15 115.511 0.000 A 11 LYS H H 1 8.050 0.000 A 11 LYS HA H 1 4.677 0.003 A 11 LYS HBy H 1 1.961 0.005 A 11 LYS HBx H 1 1.873 0.000 A 11 LYS HGy H 1 1.474 0.000 A 11 LYS HGx H 1 1.118 0.000 A 11 LYS CA C 13 53.829 0.000 A 11 LYS CB C 13 35.333 0.000 A 11 LYS CG C 13 23.699 0.000 A 11 LYS N N 15 117.326 0.000 A 12 ASP H H 1 9.097 0.000 A 12 ASP HA H 1 4.082 0.000 A 12 ASP HBy H 1 2.853 0.000 A 12 ASP HBx H 1 2.574 0.000 A 12 ASP CA C 13 59.023 0.000 A 12 ASP CB C 13 39.737 0.000 A 12 ASP N N 15 123.346 0.000 A 13 GLU H H 1 8.855 0.000 A 13 GLU HA H 1 4.156 0.002 A 13 GLU HBx H 1 2.066 0.000 A 13 GLU HBy H 1 2.066 0.000 A 13 GLU HGy H 1 2.522 0.000 A 13 GLU HGx H 1 2.413 0.000 A 13 GLU CA C 13 58.286 0.000 A 13 GLU CB C 13 28.038 0.000 A 13 GLU CG C 13 35.261 0.000 A 13 GLU N N 15 115.446 0.000 A 14 ASP H H 1 7.703 0.000 A 14 ASP HA H 1 4.447 0.000 A 14 ASP HBy H 1 2.988 0.001 A 14 ASP HBx H 1 2.871 0.000 A 14 ASP CA C 13 55.796 0.000 A 14 ASP CB C 13 41.778 0.000 A 14 ASP N N 15 118.237 0.000 A 15 CYS H H 1 8.057 0.000 A 15 CYS HA H 1 5.092 0.000 A 15 CYS HBy H 1 2.968 0.000 A 15 CYS HBx H 1 2.741 0.000 A 15 CYS CA C 13 52.764 0.000 A 15 CYS CB C 13 39.487 0.000 A 15 CYS N N 15 113.529 0.000 A 16 CYS H H 1 8.991 0.003 A 16 CYS HA H 1 4.504 0.000 A 16 CYS HBy H 1 3.232 0.000 A 16 CYS HBx H 1 2.051 0.000 A 16 CYS CA C 13 53.223 0.000 A 16 CYS CB C 13 38.962 0.019 A 16 CYS N N 15 116.934 0.000 A 17 LYS H H 1 7.818 0.000 A 17 LYS HA H 1 3.897 0.000 A 17 LYS HBy H 1 1.658 0.000 A 17 LYS HBx H 1 1.507 0.000 A 17 LYS HGy H 1 1.220 0.001 A 17 LYS HGx H 1 1.015 0.002 A 17 LYS CA C 13 57.935 0.000 A 17 LYS CB C 13 32.252 0.010 A 17 LYS CG C 13 24.317 0.000 A 17 LYS N N 15 117.028 0.000 A 18 HIS H H 1 8.534 0.001 A 18 HIS HA H 1 4.042 0.000 A 18 HIS HBy H 1 3.696 0.001 A 18 HIS HBx H 1 3.207 0.000 A 18 HIS HD2 H 1 7.069 0.000 A 18 HIS HE1 H 1 7.207 0.002 A 18 HIS CA C 13 59.114 0.000 A 18 HIS CB C 13 27.190 0.000 A 18 HIS N N 15 113.613 0.000 A 19 LEU H H 1 8.091 0.000 A 19 LEU HA H 1 4.825 0.000 A 19 LEU HBy H 1 2.021 0.000 A 19 LEU HBx H 1 1.049 0.000 A 19 LEU HDx% H 1 0.589 0.002 A 19 LEU HDy% H 1 0.160 0.001 A 19 LEU HG H 1 1.204 0.001 A 19 LEU CA C 13 54.105 0.000 A 19 LEU CG C 13 27.323 0.000 A 19 LEU N N 15 118.893 0.000 A 20 GLY H H 1 8.743 0.000 A 20 GLY HAx H 1 3.404 0.000 A 20 GLY HAy H 1 4.188 0.003 A 20 GLY CA C 13 43.116 0.000 A 20 GLY N N 15 105.957 0.000 A 21 CYS H H 1 9.358 0.000 A 21 CYS HA H 1 4.665 0.000 A 21 CYS HBy H 1 2.626 0.000 A 21 CYS HBx H 1 2.470 0.000 A 21 CYS CA C 13 54.690 0.000 A 21 CYS CB C 13 39.334 0.000 A 21 CYS N N 15 120.831 0.000 A 22 LYS H H 1 8.570 0.000 A 22 LYS HA H 1 4.195 0.000 A 22 LYS HBy H 1 1.714 0.007 A 22 LYS HBx H 1 1.489 0.008 A 22 LYS HGy H 1 1.438 0.005 A 22 LYS HGx H 1 1.375 0.008 A 22 LYS CA C 13 55.889 0.000 A 22 LYS CB C 13 31.312 0.000 A 22 LYS CG C 13 24.839 0.000 A 22 LYS N N 15 132.183 0.000 A 23 ARG H H 1 8.424 0.002 A 23 ARG HA H 1 3.803 0.000 A 23 ARG HBy H 1 1.809 0.003 A 23 ARG HBx H 1 1.725 0.000 A 23 ARG HDx H 1 3.206 0.000 A 23 ARG HDy H 1 3.206 0.000 A 23 ARG HE H 1 7.260 0.000 A 23 ARG HGx H 1 1.628 0.007 A 23 ARG HGy H 1 1.628 0.007 A 23 ARG CA C 13 59.149 0.000 A 23 ARG CB C 13 29.830 0.000 A 23 ARG CG C 13 27.543 0.000 A 23 ARG N N 15 126.851 0.000 A 24 LYS H H 1 8.838 0.001 A 24 LYS HA H 1 4.025 0.000 A 24 LYS HBx H 1 1.904 0.000 A 24 LYS HBy H 1 1.904 0.000 A 24 LYS CA C 13 57.523 0.000 A 24 LYS CB C 13 31.880 0.000 A 24 LYS CG C 13 25.275 0.000 A 24 LYS N N 15 117.429 0.000 A 25 MET H H 1 7.424 0.001 A 25 MET HA H 1 4.371 0.005 A 25 MET HBy H 1 1.830 0.000 A 25 MET HBx H 1 1.154 0.003 A 25 MET HE% H 1 2.142 0.000 A 25 MET HGy H 1 2.546 0.002 A 25 MET HGx H 1 2.403 0.001 A 25 MET CA C 13 55.357 0.000 A 25 MET CB C 13 32.472 0.000 A 25 MET CG C 13 32.760 0.000 A 25 MET N N 15 115.564 0.000 A 26 LYS H H 1 8.060 0.000 A 26 LYS HA H 1 3.716 0.000 A 26 LYS HBy H 1 2.316 0.000 A 26 LYS HBx H 1 2.024 0.005 A 26 LYS HGx H 1 1.327 0.000 A 26 LYS HGy H 1 1.327 0.000 A 26 LYS CA C 13 56.944 0.000 A 26 LYS CB C 13 28.417 0.025 A 26 LYS CG C 13 24.717 0.000 A 26 LYS N N 15 118.153 0.000 A 27 TYR H H 1 6.733 0.000 A 27 TYR HA H 1 5.632 0.000 A 27 TYR HBy H 1 2.888 0.000 A 27 TYR HBx H 1 2.725 0.000 A 27 TYR HDx H 1 7.020 0.000 A 27 TYR HDy H 1 7.020 0.000 A 27 TYR HEx H 1 6.790 0.000 A 27 TYR HEy H 1 6.790 0.000 A 27 TYR CA C 13 55.339 0.000 A 27 TYR CB C 13 41.320 0.000 A 27 TYR N N 15 110.698 0.000 A 28 CYS H H 1 8.947 0.000 A 28 CYS HA H 1 5.045 0.001 A 28 CYS HBy H 1 2.966 0.000 A 28 CYS HBx H 1 2.459 0.000 A 28 CYS CA C 13 55.158 0.000 A 28 CYS CB C 13 40.787 0.000 A 28 CYS N N 15 119.882 0.000 A 29 ALA H H 1 9.589 0.000 A 29 ALA HA H 1 4.756 0.000 A 29 ALA HB% H 1 1.475 0.003 A 29 ALA CA C 13 52.744 0.000 A 29 ALA CB C 13 23.142 0.000 A 29 ALA N N 15 125.923 0.000 A 30 TRP H H 1 7.938 0.001 A 30 TRP HA H 1 4.559 0.000 A 30 TRP HBy H 1 3.082 0.000 A 30 TRP HBx H 1 2.987 0.000 A 30 TRP HD1 H 1 6.866 0.000 A 30 TRP HE1 H 1 10.072 0.000 A 30 TRP HE3 H 1 7.574 0.000 A 30 TRP HH2 H 1 7.343 0.003 A 30 TRP HZ3 H 1 7.109 0.004 A 30 TRP CA C 13 58.454 0.000 A 30 TRP CB C 13 29.677 0.018 A 30 TRP N N 15 122.227 0.000 A 31 ASP H H 1 8.461 0.000 A 31 ASP HA H 1 4.628 0.000 A 31 ASP HBx H 1 2.507 0.000 A 31 ASP HBy H 1 2.507 0.000 A 31 ASP CA C 13 53.053 0.000 A 31 ASP CB C 13 39.725 0.000 A 31 ASP N N 15 123.438 0.000 A 32 PHE H H 1 7.978 0.004 A 32 PHE HA H 1 4.531 0.000 A 32 PHE HBx H 1 3.035 0.000 A 32 PHE HBy H 1 3.035 0.000 A 32 PHE HDx H 1 7.254 0.005 A 32 PHE HDy H 1 7.254 0.005 A 32 PHE CA C 13 58.181 0.000 A 32 PHE CB C 13 42.003 0.000 A 32 PHE N N 15 119.649 0.000 A 33 THR H H 1 7.970 0.000 A 33 THR HA H 1 4.243 0.000 A 33 THR HB H 1 4.109 0.003 A 33 THR HG2% H 1 1.041 0.000 A 33 THR CA C 13 62.136 0.000 A 33 THR CB C 13 69.508 0.000 A 33 THR N N 15 114.027 0.000 A 34 PHE H H 1 7.942 0.000 A 34 PHE HA H 1 4.645 0.005 A 34 PHE HBy H 1 3.099 0.000 A 34 PHE HBx H 1 2.976 0.000 A 34 PHE HDx H 1 7.179 0.007 A 34 PHE HDy H 1 7.179 0.007 A 34 PHE CA C 13 57.465 0.000 A 34 PHE CB C 13 39.286 0.022 A 34 PHE N N 15 121.026 0.000 A 35 THR H H 1 7.777 0.002 A 35 THR HA H 1 4.174 0.000 A 35 THR HB H 1 4.225 0.000 A 35 THR HG2% H 1 1.138 0.000 A 35 THR CA C 13 62.614 0.000 A 35 THR CB C 13 70.482 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 29 ALA H A 29 ALA HB% 1.0 1.8 3.42 2 2 A 29 ALA HB% A 30 TRP H 1.0 1.8 3.56 3 3 A 28 CYS H A 28 CYS HBy 1.0 1.8 3.23 4 4 A 28 CYS H A 28 CYS HBx 1.0 1.8 3.75 5 5 A 29 ALA H A 28 CYS HBx 1.0 1.8 3.95 6 6 A 29 ALA H A 28 CYS HBy 1.0 1.8 4.19 7 7 A 29 ALA H A 28 CYS HA 1.0 1.8 2.91 8 8 A 28 CYS H A 27 TYR HA 1.0 1.8 2.96 9 9 A 28 CYS H A 27 TYR HBy 1.0 1.8 4.68 10 10 A 28 CYS H A 27 TYR HBx 1.0 1.8 3.51 11 11 A 26 LYS HBx A 27 TYR H 1.0 1.8 5.50 12 12 A 26 LYS H A 26 LYS HDx 1.0 1.8 4.33 13 12 A 26 LYS H A 26 LYS HDy 1.0 1.8 4.33 14 13 A 26 LYS H A 26 LYS HGx 1.0 1.8 3.35 15 13 A 26 LYS H A 26 LYS HGy 1.0 1.8 3.35 16 14 A 27 TYR H A 26 LYS HA 1.0 1.8 3.41 17 15 A 27 TYR H A 26 LYS HDx 1.0 1.8 3.99 18 15 A 27 TYR H A 26 LYS HDy 1.0 1.8 3.99 19 16 A 27 TYR H A 26 LYS HGx 1.0 1.8 4.85 20 16 A 27 TYR H A 26 LYS HGy 1.0 1.8 4.85 21 17 A 25 MET H A 25 MET HBx 1.0 1.8 3.68 22 18 A 26 LYS H A 25 MET HBx 1.0 1.8 4.29 23 19 A 26 LYS H A 25 MET HBy 1.0 1.8 5.50 24 20 A 24 LYS H A 24 LYS HDx 1.0 1.8 5.50 25 20 A 24 LYS H A 24 LYS HDy 1.0 1.8 5.50 26 21 A 24 LYS H A 22 LYS HGy 1.0 1.8 5.07 27 22 A 24 LYS H A 22 LYS HGx 1.0 1.8 5.07 28 23 A 3 ARG H A 15 CYS HBy 1.0 1.8 5.50 29 24 A 23 ARG H A 23 ARG HDx 1.0 1.8 5.50 30 24 A 23 ARG H A 23 ARG HDy 1.0 1.8 5.50 31 25 A 23 ARG H A 23 ARG HBy 1.0 1.8 3.03 32 26 A 23 ARG H A 23 ARG HBx 1.0 1.8 3.88 33 27 A 23 ARG H A 23 ARG HGx 1.0 1.8 4.13 34 27 A 23 ARG H A 23 ARG HGy 1.0 1.8 4.13 35 28 A 24 LYS H A 23 ARG HA 1.0 1.8 3.21 36 29 A 24 LYS H A 23 ARG HDx 1.0 1.8 5.50 37 29 A 24 LYS H A 23 ARG HDy 1.0 1.8 5.50 38 30 A 3 ARG H A 3 ARG HGy 1.0 1.8 5.09 39 31 A 13 GLU H A 11 LYS HDx 1.0 1.8 5.50 40 32 A 22 LYS H A 22 LYS HBy 1.0 1.8 4.19 41 33 A 22 LYS H A 22 LYS HBx 1.0 1.8 3.61 42 34 A 22 LYS H A 22 LYS HDx 1.0 1.8 5.05 43 34 A 22 LYS H A 22 LYS HDy 1.0 1.8 5.05 44 35 A 22 LYS H A 22 LYS HGx 1.0 1.8 4.97 45 36 A 23 ARG H A 22 LYS HGx 1.0 1.8 5.50 46 37 A 23 ARG H A 22 LYS HDx 1.0 1.8 5.50 47 37 A 23 ARG H A 22 LYS HDy 1.0 1.8 5.50 48 38 A 23 ARG H A 22 LYS HBx 1.0 1.8 5.46 49 39 A 23 ARG H A 22 LYS HBy 1.0 1.8 4.66 50 40 A 23 ARG H A 22 LYS HA 1.0 1.8 2.79 51 41 A 22 LYS H A 21 CYS HA 1.0 1.8 2.89 52 42 A 21 CYS H A 21 CYS HBx 1.0 1.8 3.47 53 43 A 21 CYS H A 21 CYS HBy 1.0 1.8 3.44 54 44 A 22 LYS H A 21 CYS HBy 1.0 1.8 4.42 55 45 A 22 LYS H A 21 CYS HBx 1.0 1.8 5.50 56 46 A 21 CYS H A 20 GLY HAx 1.0 1.8 3.46 57 47 A 21 CYS H A 20 GLY HAy 1.0 1.8 3.46 58 48 A 19 LEU H A 19 LEU HG 1.0 1.8 4.36 59 49 A 19 LEU H A 19 LEU HBy 1.0 1.8 3.35 60 50 A 19 LEU HA A 20 GLY H 1.0 1.8 3.32 61 51 A 19 LEU HG A 20 GLY H 1.0 1.8 5.27 62 52 A 19 LEU HBy A 20 GLY H 1.0 1.8 4.10 63 53 A 20 GLY H A 19 LEU HDx% 1.0 1.8 5.50 64 54 A 18 HIS H A 18 HIS HA 1.0 1.8 2.90 65 55 A 19 LEU H A 18 HIS HBy 1.0 1.8 5.50 66 56 A 19 LEU H A 18 HIS HBx 1.0 1.8 5.50 67 57 A 17 LYS H A 17 LYS HGx 1.0 1.8 4.80 68 58 A 17 LYS H A 17 LYS HGy 1.0 1.8 4.80 69 59 A 17 LYS H A 17 LYS HBx 1.0 1.8 3.58 70 60 A 17 LYS H A 17 LYS HBy 1.0 1.8 3.08 71 61 A 18 HIS H A 17 LYS HA 1.0 1.8 3.39 72 62 A 18 HIS H A 17 LYS HBy 1.0 1.8 4.73 73 63 A 18 HIS H A 17 LYS HGx 1.0 1.8 4.33 74 64 A 16 CYS H A 16 CYS HBx 1.0 1.8 3.42 75 65 A 16 CYS H A 16 CYS HBy 1.0 1.8 4.04 76 66 A 17 LYS H A 16 CYS HA 1.0 1.8 2.97 77 67 A 17 LYS H A 16 CYS HBy 1.0 1.8 3.01 78 68 A 17 LYS H A 17 LYS HEx 1.0 1.8 5.50 79 68 A 17 LYS H A 17 LYS HEy 1.0 1.8 5.50 80 69 A 34 PHE H A 34 PHE HBx 1.0 1.8 4.14 81 70 A 30 TRP H A 30 TRP HBy 1.0 1.8 3.90 82 71 A 31 ASP H A 31 ASP HBx 1.0 1.8 3.37 83 71 A 31 ASP H A 31 ASP HBy 1.0 1.8 3.37 84 72 A 31 ASP H A 30 TRP HA 1.0 1.8 3.20 85 73 A 31 ASP H A 30 TRP HBx 1.0 1.8 5.50 86 74 A 31 ASP H A 30 TRP HBy 1.0 1.8 5.50 87 75 A 31 ASP HA A 32 PHE H 1.0 1.8 3.32 88 76 A 32 PHE H A 31 ASP HBx 1.0 1.8 3.80 89 76 A 31 ASP HBy A 32 PHE H 1.0 1.8 3.80 90 77 A 16 CYS H A 15 CYS HBx 1.0 1.8 4.17 91 78 A 15 CYS HBy A 16 CYS H 1.0 1.8 3.51 92 79 A 16 CYS H A 15 CYS HA 1.0 1.8 2.89 93 80 A 14 ASP H A 14 ASP HBx 1.0 1.8 3.64 94 81 A 11 LYS H A 14 ASP HBy 1.0 1.8 3.91 95 82 A 13 GLU H A 13 GLU HGy 1.0 1.8 4.89 96 83 A 13 GLU H A 13 GLU HGx 1.0 1.8 4.89 97 84 A 13 GLU H A 13 GLU HBx 1.0 1.8 4.08 98 85 A 14 ASP H A 13 GLU HBy 1.0 1.8 4.32 99 86 A 14 ASP H A 13 GLU HBx 1.0 1.8 4.32 100 87 A 14 ASP H A 13 GLU HGx 1.0 1.8 5.47 101 88 A 14 ASP H A 13 GLU HGy 1.0 1.8 5.47 102 89 A 12 ASP H A 11 LYS HDy 1.0 1.8 5.50 103 90 A 12 ASP H A 12 ASP HBy 1.0 1.8 3.66 104 91 A 13 GLU H A 12 ASP HBx 1.0 1.8 4.29 105 92 A 13 GLU H A 12 ASP HBy 1.0 1.8 3.90 106 93 A 15 CYS H A 3 ARG HBx 1.0 1.8 4.40 107 93 A 3 ARG HBy A 15 CYS H 1.0 1.8 4.40 108 94 A 9 CYS H A 9 CYS HBx 1.0 1.8 3.88 109 94 A 9 CYS H A 9 CYS HBy 1.0 1.8 3.88 110 95 A 10 GLU H A 10 GLU HBy 1.0 1.8 3.84 111 96 A 10 GLU H A 10 GLU HGx 1.0 1.8 3.84 112 96 A 10 GLU H A 10 GLU HGy 1.0 1.8 3.84 113 97 A 10 GLU H A 10 GLU HBx 1.0 1.8 3.64 114 98 A 11 LYS H A 10 GLU HGx 1.0 1.8 5.12 115 98 A 11 LYS H A 10 GLU HGy 1.0 1.8 5.12 116 99 A 11 LYS H A 10 GLU HBy 1.0 1.8 4.24 117 100 A 11 LYS H A 10 GLU HBx 1.0 1.8 4.81 118 101 A 33 THR H A 33 THR HG2% 1.0 1.8 4.20 119 102 A 35 THR H A 35 THR HG2% 1.0 1.8 4.77 120 103 A 10 GLU H A 9 CYS HBx 1.0 1.8 3.23 121 103 A 9 CYS HBy A 10 GLU H 1.0 1.8 3.23 122 104 A 10 GLU H A 9 CYS HA 1.0 1.8 3.02 123 105 A 8 ASP H A 8 ASP HBy 1.0 1.8 3.47 124 106 A 8 ASP H A 8 ASP HBx 1.0 1.8 3.23 125 107 A 9 CYS H A 8 ASP HA 1.0 1.8 2.86 126 108 A 9 CYS H A 8 ASP HBy 1.0 1.8 3.83 127 109 A 9 CYS H A 8 ASP HBx 1.0 1.8 3.98 128 110 A 6 PHE HBy A 7 GLY H 1.0 1.8 4.71 129 111 A 7 GLY H A 6 PHE HBx 1.0 1.8 5.50 130 112 A 6 PHE H A 5 MET HGx 1.0 1.8 5.50 131 113 A 6 PHE H A 5 MET HGy 1.0 1.8 5.50 132 114 A 2 CYS H A 2 CYS HBy 1.0 1.8 3.48 133 115 A 3 ARG H A 2 CYS HA 1.0 1.8 2.99 134 116 A 3 ARG H A 2 CYS HBy 1.0 1.8 5.50 135 117 A 3 ARG H A 2 CYS HBx 1.0 1.8 3.40 136 118 A 30 TRP H A 30 TRP HBx 1.0 1.8 3.90 137 119 A 34 PHE H A 33 THR HG2% 1.0 1.8 4.98 138 120 A 19 LEU H A 19 LEU HDx% 1.0 1.8 4.76 139 121 A 19 LEU H A 19 LEU HDy% 1.0 1.8 4.76 140 122 A 5 MET H A 5 MET HBx 1.0 1.8 3.78 141 123 A 14 ASP H A 14 ASP HBy 1.0 1.8 3.16 142 124 A 4 TYR H A 3 ARG HBx 1.0 1.8 4.16 143 124 A 3 ARG HBy A 4 TYR H 1.0 1.8 4.16 144 125 A 4 TYR H A 3 ARG HDx 1.0 1.8 5.04 145 125 A 4 TYR H A 3 ARG HDy 1.0 1.8 5.04 146 126 A 4 TYR H A 3 ARG HA 1.0 1.8 2.87 147 127 A 5 MET H A 4 TYR HA 1.0 1.8 3.41 148 128 A 4 TYR H A 4 TYR HBx 1.0 1.8 3.29 149 129 A 5 MET H A 5 MET HBy 1.0 1.8 3.75 150 130 A 6 PHE H A 5 MET HBx 1.0 1.8 5.12 151 131 A 6 PHE H A 5 MET HBy 1.0 1.8 5.50 152 132 A 12 ASP H A 11 LYS HA 1.0 1.8 2.93 153 133 A 12 ASP H A 11 LYS HBy 1.0 1.8 3.52 154 134 A 12 ASP H A 11 LYS HDx 1.0 1.8 5.50 155 135 A 12 ASP H A 11 LYS HGx 1.0 1.8 5.07 156 136 A 12 ASP H A 11 LYS HBx 1.0 1.8 3.52 157 137 A 20 GLY H A 19 LEU HBx 1.0 1.8 3.52 158 138 A 20 GLY H A 19 LEU HDy% 1.0 1.8 5.50 159 139 A 25 MET H A 24 LYS HBx 1.0 1.8 4.47 160 139 A 25 MET H A 24 LYS HBy 1.0 1.8 4.47 161 140 A 25 MET H A 24 LYS HDx 1.0 1.8 5.50 162 140 A 25 MET H A 24 LYS HDy 1.0 1.8 5.50 163 141 A 25 MET H A 22 LYS HGy 1.0 1.8 5.50 164 142 A 25 MET H A 22 LYS HGx 1.0 1.8 5.50 165 143 A 27 TYR H A 26 LYS HBy 1.0 1.8 4.95 166 144 A 27 TYR HA A 9 CYS H 1.0 1.8 3.51 167 145 A 19 LEU H A 17 LYS HA 1.0 1.8 3.88 168 146 A 28 CYS HA A 22 LYS H 1.0 1.8 4.18 169 147 A 29 ALA H A 19 LEU HA 1.0 1.8 5.33 170 148 A 29 ALA H A 19 LEU HBx 1.0 1.8 4.08 171 149 A 29 ALA H A 21 CYS HA 1.0 1.8 4.62 172 150 A 21 CYS H A 12 ASP HA 1.0 1.8 3.27 173 151 A 21 CYS H A 12 ASP HBx 1.0 1.8 5.50 174 152 A 21 CYS H A 12 ASP HBy 1.0 1.8 4.52 175 153 A 14 ASP HBx A 10 GLU H 1.0 1.8 4.19 176 154 A 14 ASP HBy A 10 GLU H 1.0 1.8 3.89 177 155 A 10 GLU H A 11 LYS HA 1.0 1.8 5.17 178 156 A 21 CYS HBy A 12 ASP H 1.0 1.8 4.78 179 157 A 21 CYS HBx A 12 ASP H 1.0 1.8 3.90 180 158 A 16 CYS H A 19 LEU HBx 1.0 1.8 4.73 181 159 A 16 CYS H A 2 CYS HBx 1.0 1.8 4.18 182 160 A 16 CYS H A 2 CYS HBy 1.0 1.8 4.83 183 161 A 16 CYS H A 2 CYS HA 1.0 1.8 4.79 184 162 A 13 GLU H A 11 LYS HDy 1.0 1.8 5.50 185 163 A 3 ARG H A 15 CYS HA 1.0 1.8 3.23 186 164 A 28 CYS HA A 20 GLY H 1.0 1.8 5.07 187 165 A 20 GLY H A 30 TRP HA 1.0 1.8 4.71 188 166 A 29 ALA HB% A 20 GLY H 1.0 1.8 5.00 189 167 A 20 GLY H A 31 ASP HBx 1.0 1.8 5.08 190 167 A 20 GLY H A 31 ASP HBy 1.0 1.8 5.08 191 168 A 28 CYS HBx A 20 GLY H 1.0 1.8 5.50 192 169 A 15 CYS HBy A 20 GLY H 1.0 1.8 4.96 193 170 A 2 CYS H A 1 ASP HA 1.0 1.8 3.03 194 171 A 8 ASP H A 3 ARG HDx 1.0 1.8 4.21 195 171 A 8 ASP H A 3 ARG HDy 1.0 1.8 4.21 196 172 A 8 ASP H A 3 ARG HBx 1.0 1.8 5.50 197 172 A 3 ARG HBy A 8 ASP H 1.0 1.8 5.50 198 173 A 11 LYS H A 10 GLU H 1.0 1.8 2.77 199 174 A 29 ALA H A 28 CYS H 1.0 1.8 5.20 200 175 A 29 ALA H A 20 GLY H 1.0 1.8 3.63 201 176 A 29 ALA H A 22 LYS H 1.0 1.8 4.95 202 177 A 22 LYS H A 21 CYS H 1.0 1.8 5.30 203 178 A 11 LYS H A 12 ASP H 1.0 1.8 4.65 204 179 A 13 GLU H A 12 ASP H 1.0 1.8 3.75 205 180 A 6 PHE H A 6 PHE HD% 1.0 1.8 5.22 206 181 A 17 LYS H A 16 CYS H 1.0 1.8 4.78 207 182 A 16 CYS H A 15 CYS H 1.0 1.8 4.92 208 183 A 6 PHE H A 5 MET H 1.0 1.8 5.50 209 184 A 26 LYS H A 25 MET H 1.0 1.8 3.15 210 185 A 14 ASP H A 15 CYS H 1.0 1.8 3.13 211 186 A 19 LEU H A 18 HIS H 1.0 1.8 3.38 212 187 A 31 ASP H A 30 TRP HD1 1.0 1.8 5.50 213 188 A 31 ASP H A 32 PHE H 1.0 1.8 3.87 214 189 A 4 TYR H A 4 TYR HD% 1.0 1.8 4.10 215 190 A 27 TYR H A 26 LYS H 1.0 1.8 3.59 216 191 A 27 TYR H A 22 LYS H 1.0 1.8 3.99 217 192 A 25 MET H A 24 LYS H 1.0 1.8 3.58 218 193 A 13 GLU H A 14 ASP H 1.0 1.8 3.72 219 194 A 13 GLU H A 11 LYS H 1.0 1.8 4.21 220 195 A 3 ARG H A 4 TYR H 1.0 1.8 5.46 221 196 A 24 LYS H A 23 ARG H 1.0 1.8 3.79 222 197 A 3 ARG H A 16 CYS H 1.0 1.8 4.29 223 198 A 17 LYS H A 16 CYS HBx 1.0 1.8 4.25 224 199 A 9 CYS H A 26 LYS HBy 1.0 1.8 4.71 225 200 A 9 CYS H A 26 LYS HGx 1.0 1.8 5.50 226 200 A 26 LYS HGy A 9 CYS H 1.0 1.8 5.50 227 201 A 5 MET H A 19 LEU HDy% 1.0 1.8 4.21 228 202 A 5 MET H A 19 LEU HDx% 1.0 1.8 4.21 229 203 A 19 LEU HA A 31 ASP H 1.0 1.8 4.22 230 204 A 11 LYS H A 9 CYS HA 1.0 1.8 3.79 231 205 A 14 ASP H A 11 LYS HA 1.0 1.8 5.50 232 206 A 5 MET H A 4 TYR HBx 1.0 1.8 3.42 233 207 A 5 MET H A 4 TYR HBy 1.0 1.8 2.97 234 208 A 14 ASP H A 12 ASP HBx 1.0 1.8 5.50 235 209 A 35 THR H A 34 PHE HA 1.0 1.8 3.51 236 210 A 6 PHE HD% A 5 MET HE% 1.0 1.8 4.93 237 211 A 18 HIS HBx A 30 TRP HE3 1.0 1.8 4.53 238 212 A 18 HIS HBy A 30 TRP HE3 1.0 1.8 4.53 239 213 A 23 ARG HBy A 23 ARG HE 1.0 1.8 4.91 240 214 A 23 ARG HBx A 23 ARG HE 1.0 1.8 5.50 241 215 A 33 THR HG2% A 32 PHE HD% 1.0 1.8 4.23 242 216 A 32 PHE HD% A 31 ASP HBx 1.0 1.8 5.41 243 216 A 31 ASP HBy A 32 PHE HD% 1.0 1.8 5.41 244 217 A 32 PHE HD% A 32 PHE HA 1.0 1.8 3.76 245 218 A 6 PHE HD% A 6 PHE HA 1.0 1.8 3.26 246 219 A 6 PHE HD% A 5 MET HGy 1.0 1.8 4.92 247 220 A 5 MET HBy A 6 PHE HD% 1.0 1.8 4.80 248 221 A 5 MET HBx A 6 PHE HD% 1.0 1.8 4.99 249 222 A 6 PHE HD% A 5 MET HGx 1.0 1.8 4.92 250 223 A 6 PHE HE% A 5 MET HGy 1.0 1.8 4.71 251 224 A 4 TYR HA A 4 TYR HD% 1.0 1.8 3.33 252 225 A 4 TYR HA A 4 TYR HE% 1.0 1.8 4.59 253 226 A 18 HIS HA A 18 HIS HD2 1.0 1.8 4.27 254 227 A 4 TYR HD% A 19 LEU HDy% 1.0 1.8 4.68 255 228 A 4 TYR HD% A 19 LEU HDx% 1.0 1.8 4.68 256 229 A 16 CYS HBx A 4 TYR HD% 1.0 1.8 4.22 257 230 A 34 PHE HA A 34 PHE HD% 1.0 1.8 4.50 258 231 A 6 PHE HA A 6 PHE HE% 1.0 1.8 4.82 259 232 A 25 MET HBx A 27 TYR HD% 1.0 1.8 3.96 260 233 A 30 TRP HA A 30 TRP HD1 1.0 1.8 4.25 261 234 A 25 MET HBy A 27 TYR HD% 1.0 1.8 3.57 262 235 A 27 TYR HD% A 25 MET HA 1.0 1.8 5.32 263 236 A 25 MET HA A 27 TYR HE% 1.0 1.8 4.94 264 237 A 27 TYR HE% A 25 MET HGx 1.0 1.8 5.11 265 238 A 25 MET HBy A 27 TYR HE% 1.0 1.8 3.46 266 239 A 25 MET HBx A 27 TYR HE% 1.0 1.8 4.12 267 240 A 27 TYR HA A 9 CYS HBx 1.0 1.8 4.93 268 240 A 27 TYR HA A 9 CYS HBy 1.0 1.8 4.93 269 241 A 27 TYR HA A 26 LYS HA 1.0 1.8 5.50 270 242 A 27 TYR HA A 8 ASP HA 1.0 1.8 3.24 271 243 A 28 CYS HBy A 27 TYR HA 1.0 1.8 5.22 272 244 A 9 CYS H A 8 ASP H 1.0 1.8 4.99 273 245 A 18 HIS H A 17 LYS H 1.0 1.8 4.60 274 246 A 28 CYS H A 27 TYR H 1.0 1.8 5.50 275 247 A 28 CYS H A 27 TYR HD% 1.0 1.8 4.36 276 248 A 28 CYS H A 8 ASP HA 1.0 1.8 4.45 277 249 A 28 CYS H A 21 CYS HA 1.0 1.8 5.26 278 250 A 32 PHE H A 32 PHE HD% 1.0 1.8 3.96 279 251 A 30 TRP H A 30 TRP HD1 1.0 1.8 4.50 280 252 A 17 LYS H A 17 LYS HDx 1.0 1.8 4.79 281 252 A 17 LYS H A 17 LYS HDy 1.0 1.8 4.79 282 253 A 6 PHE HE% A 5 MET HA 1.0 1.8 5.50 283 254 A 27 TYR H A 25 MET HBx 1.0 1.8 4.83 284 255 A 14 ASP H A 9 CYS HBx 1.0 1.8 4.93 285 255 A 14 ASP H A 9 CYS HBy 1.0 1.8 4.93 286 256 A 27 TYR HA A 27 TYR HD% 1.0 1.8 3.93 287 257 A 16 CYS HBx A 4 TYR HE% 1.0 1.8 5.31 288 258 A 27 TYR H A 25 MET HBy 1.0 1.8 4.56 289 259 A 4 TYR HE% A 19 LEU HDx% 1.0 1.8 5.50 290 260 A 30 TRP HE3 A 19 LEU HDx% 1.0 1.8 4.83 291 261 A 11 LYS H A 9 CYS HBx 1.0 1.8 3.36 292 261 A 11 LYS H A 9 CYS HBy 1.0 1.8 3.36 293 262 A 34 PHE H A 34 PHE HD% 1.0 1.8 4.41 294 263 A 34 PHE H A 35 THR H 1.0 1.8 4.70 295 264 A 5 MET H A 4 TYR HD% 1.0 1.8 4.64 296 265 A 6 PHE HE% A 27 TYR HE% 1.0 1.8 4.60 297 266 A 30 TRP HA A 30 TRP HE3 1.0 1.8 3.41 298 267 A 30 TRP HE3 A 30 TRP HBx 1.0 1.8 3.88 299 268 A 30 TRP HE3 A 30 TRP HBy 1.0 1.8 3.88 300 269 A 5 MET HE% A 30 TRP HE3 1.0 1.8 5.45 301 270 A 30 TRP HE3 A 19 LEU HDy% 1.0 1.8 4.83 302 271 A 17 LYS H A 2 CYS HBy 1.0 1.8 5.50 303 272 A 22 LYS H A 32 PHE HA 1.0 1.8 4.83 304 273 A 22 LYS H A 22 LYS HGy 1.0 1.8 4.97 305 274 A 12 ASP H A 11 LYS HGy 1.0 1.8 5.07 306 275 A 25 MET HBx A 24 LYS H 1.0 1.8 5.50 307 276 A 18 HIS H A 17 LYS HBx 1.0 1.8 5.01 308 277 A 17 LYS H A 2 CYS HBx 1.0 1.8 5.50 309 278 A 15 CYS H A 13 GLU HA 1.0 1.8 4.61 310 279 A 15 CYS H A 12 ASP HA 1.0 1.8 5.40 311 280 A 34 PHE H A 33 THR HB 1.0 1.8 4.35 312 281 A 26 LYS HA A 9 CYS H 1.0 1.8 4.67 313 282 A 14 ASP H A 12 ASP HA 1.0 1.8 5.20 314 283 A 19 LEU HG A 30 TRP HE3 1.0 1.8 4.09 315 284 A 25 MET H A 22 LYS HDx 1.0 1.8 5.50 316 284 A 25 MET H A 22 LYS HDy 1.0 1.8 5.50 317 285 A 25 MET H A 22 LYS HBx 1.0 1.8 5.50 318 286 A 27 TYR HE% A 25 MET HE% 1.0 1.8 4.17 319 287 A 6 PHE HA A 27 TYR HE% 1.0 1.8 4.49 320 288 A 27 TYR HD% A 25 MET HE% 1.0 1.8 5.05 321 289 A 18 HIS HBy A 30 TRP HZ3 1.0 1.8 3.88 322 290 A 18 HIS HBy A 30 TRP HH2 1.0 1.8 4.90 323 291 A 6 PHE HD% A 27 TYR HD% 1.0 1.8 4.59 324 292 A 28 CYS H A 9 CYS HBx 1.0 1.8 4.95 325 292 A 28 CYS H A 9 CYS HBy 1.0 1.8 4.95 326 293 A 21 CYS HBy A 15 CYS H 1.0 1.8 4.21 327 294 A 5 MET HBy A 6 PHE HE% 1.0 1.8 4.74 328 295 A 6 PHE HE% A 5 MET HGx 1.0 1.8 4.71 329 296 A 27 TYR HBx A 6 PHE HD% 1.0 1.8 4.94 330 297 A 27 TYR HBy A 6 PHE HD% 1.0 1.8 4.98 331 298 A 27 TYR HE% A 25 MET HGy 1.0 1.8 5.11 332 299 A 27 TYR HD% A 25 MET HGy 1.0 1.8 5.50 333 300 A 6 PHE HA A 27 TYR HD% 1.0 1.8 3.29 334 301 A 27 TYR HD% A 5 MET HA 1.0 1.8 4.84 335 302 A 27 TYR HE% A 5 MET HA 1.0 1.8 5.50 336 303 A 6 PHE HBy A 27 TYR HD% 1.0 1.8 5.50 337 304 A 8 ASP HA A 27 TYR HD% 1.0 1.8 5.50 338 305 A 28 CYS HA A 27 TYR HD% 1.0 1.8 5.50 339 306 A 29 ALA H A 19 LEU HBy 1.0 1.8 5.28 340 307 A 27 TYR HA A 6 PHE HA 1.0 1.8 5.50 341 308 A 27 TYR HD% A 25 MET HGx 1.0 1.8 5.50 342 309 A 23 ARG H A 22 LYS HGy 1.0 1.8 5.50 343 310 A 18 HIS H A 17 LYS HGy 1.0 1.8 4.33 344 311 A 25 MET H A 22 LYS HBy 1.0 1.8 5.50 345 312 A 13 GLU H A 13 GLU HBy 1.0 1.8 4.08 346 313 A 22 LYS H A 22 LYS HEx 1.0 1.8 5.50 347 313 A 22 LYS H A 22 LYS HEy 1.0 1.8 5.50 348 314 A 16 CYS H A 3 ARG HBx 1.0 1.8 4.95 349 314 A 16 CYS H A 3 ARG HBy 1.0 1.8 4.95 350 315 A 29 ALA HB% A 27 TYR HE% 1.0 1.8 3.18 351 316 A 29 ALA HB% A 27 TYR HD% 1.0 1.8 3.40 352 317 A 14 ASP HBx A 11 LYS H 1.0 1.8 4.60 353 318 A 14 ASP H A 9 CYS HA 1.0 1.8 5.50 354 319 A 21 CYS H A 9 CYS HBx 1.0 1.8 5.46 355 319 A 21 CYS H A 9 CYS HBy 1.0 1.8 5.46 356 320 A 6 PHE H A 27 TYR HD% 1.0 1.8 4.65 357 321 A 21 CYS HBx A 11 LYS H 1.0 1.8 5.50 358 322 A 5 MET HBx A 30 TRP HE1 1.0 1.8 5.50 359 323 A 30 TRP H A 5 MET HE% 1.0 1.8 4.53 360 324 A 5 MET HE% A 30 TRP HE1 1.0 1.8 5.45 361 325 A 26 LYS H A 23 ARG HA 1.0 1.8 4.30 362 326 A 28 CYS H A 6 PHE HA 1.0 1.8 4.11 363 327 A 28 CYS H A 5 MET HA 1.0 1.8 4.11 364 328 A 21 CYS H A 20 GLY H 1.0 1.8 5.50 365 329 A 21 CYS H A 12 ASP H 1.0 1.8 5.50 366 330 A 28 CYS H A 9 CYS H 1.0 1.8 5.20 367 331 A 5 MET HE% A 6 PHE HE% 1.0 1.8 3.85 368 332 A 30 TRP HZ2 A 19 LEU HDx% 1.0 1.8 5.50 369 333 A 30 TRP HZ2 A 19 LEU HDy% 1.0 1.8 5.50 370 334 A 4 TYR HE% A 19 LEU HDy% 1.0 1.8 5.50 371 335 A 30 TRP HZ3 A 19 LEU HDy% 1.0 1.8 5.11 372 336 A 30 TRP HZ3 A 19 LEU HDx% 1.0 1.8 5.11 373 337 A 26 LYS HA A 26 LYS HEx 1.0 1.8 5.50 374 337 A 26 LYS HA A 26 LYS HEy 1.0 1.8 5.50 375 338 A 26 LYS HA A 26 LYS HDx 1.0 1.8 4.77 376 338 A 26 LYS HDy A 26 LYS HA 1.0 1.8 4.77 377 339 A 26 LYS HA A 26 LYS HGx 1.0 1.8 3.70 378 339 A 26 LYS HGy A 26 LYS HA 1.0 1.8 3.70 379 340 A 26 LYS HBx A 26 LYS HDx 1.0 1.8 4.12 380 340 A 26 LYS HBx A 26 LYS HDy 1.0 1.8 4.12 381 341 A 22 LYS HA A 23 ARG HDx 1.0 1.8 4.06 382 341 A 23 ARG HDy A 22 LYS HA 1.0 1.8 4.06 383 342 A 24 LYS HA A 24 LYS HDx 1.0 1.8 5.20 384 342 A 24 LYS HDy A 24 LYS HA 1.0 1.8 5.20 385 343 A 24 LYS HA A 24 LYS HEx 1.0 1.8 5.50 386 343 A 24 LYS HA A 24 LYS HEy 1.0 1.8 5.50 387 344 A 23 ARG HBy A 23 ARG HDx 1.0 1.8 3.81 388 344 A 23 ARG HDy A 23 ARG HBy 1.0 1.8 3.81 389 345 A 22 LYS HBy A 23 ARG HDx 1.0 1.8 5.50 390 345 A 23 ARG HDy A 22 LYS HBy 1.0 1.8 5.50 391 346 A 21 CYS HBx A 11 LYS HA 1.0 1.8 3.78 392 347 A 17 LYS HBy A 17 LYS HEx 1.0 1.8 4.46 393 347 A 17 LYS HBy A 17 LYS HEy 1.0 1.8 4.46 394 348 A 10 GLU HA A 10 GLU HGx 1.0 1.8 3.72 395 348 A 10 GLU HGy A 10 GLU HA 1.0 1.8 3.72 396 349 A 16 CYS HBx A 2 CYS HBy 1.0 1.8 5.47 397 350 A 19 LEU HA A 19 LEU HDy% 1.0 1.8 5.09 398 351 A 19 LEU HA A 19 LEU HDx% 1.0 1.8 5.09 399 352 A 24 LYS HBy A 24 LYS HEx 1.0 1.8 5.50 400 352 A 24 LYS HEy A 24 LYS HBx 1.0 1.8 5.50 401 352 A 24 LYS HBy A 24 LYS HEy 1.0 1.8 5.50 402 352 A 24 LYS HBx A 24 LYS HEx 1.0 1.8 5.50 403 353 A 33 THR HG2% A 33 THR HA 1.0 1.8 3.68 404 354 A 35 THR HG2% A 35 THR HA 1.0 1.8 4.09 405 355 A 16 CYS HA A 2 CYS HBx 1.0 1.8 4.06 406 356 A 19 LEU HA A 31 ASP HBx 1.0 1.8 4.78 407 356 A 19 LEU HA A 31 ASP HBy 1.0 1.8 4.78 408 357 A 28 CYS HBx A 5 MET HA 1.0 1.8 5.02 409 358 A 21 CYS HBy A 12 ASP HA 1.0 1.8 4.41 410 359 A 10 GLU HBx A 10 GLU HGx 1.0 1.8 2.71 411 359 A 10 GLU HGy A 10 GLU HBx 1.0 1.8 2.71 412 360 A 26 LYS HBy A 26 LYS HDx 1.0 1.8 4.18 413 360 A 26 LYS HDy A 26 LYS HBy 1.0 1.8 4.18 414 361 A 19 LEU HBx A 19 LEU HDx% 1.0 1.8 4.05 415 362 A 19 LEU HBx A 19 LEU HDy% 1.0 1.8 4.05 416 363 A 17 LYS HA A 17 LYS HDx 1.0 1.8 4.05 417 363 A 17 LYS HA A 17 LYS HDy 1.0 1.8 4.05 418 364 A 21 CYS HBy A 9 CYS HBx 1.0 1.8 4.51 419 364 A 21 CYS HBy A 9 CYS HBy 1.0 1.8 4.51 420 365 A 28 CYS HBx A 19 LEU HDx% 1.0 1.8 4.81 421 366 A 28 CYS HBy A 19 LEU HDx% 1.0 1.8 4.80 422 367 A 28 CYS HBx A 19 LEU HDy% 1.0 1.8 4.81 423 368 A 28 CYS HBy A 19 LEU HDy% 1.0 1.8 4.80 424 369 A 5 MET HA A 19 LEU HDx% 1.0 1.8 4.69 425 370 A 5 MET HA A 19 LEU HDy% 1.0 1.8 4.69 426 371 A 29 ALA HB% A 28 CYS HA 1.0 1.8 5.50 427 372 A 21 CYS HBx A 9 CYS HBx 1.0 1.8 4.54 428 372 A 21 CYS HBx A 9 CYS HBy 1.0 1.8 4.54 429 373 A 8 ASP HBy A 9 CYS HBx 1.0 1.8 5.50 430 373 A 9 CYS HBy A 8 ASP HBy 1.0 1.8 5.50 431 374 A 15 CYS HBy A 19 LEU HBy 1.0 1.8 3.67 432 375 A 19 LEU HBy A 15 CYS HBx 1.0 1.8 4.13 433 376 A 4 TYR HBy A 19 LEU HDx% 1.0 1.8 5.50 434 377 A 5 MET HBx A 19 LEU HDx% 1.0 1.8 5.40 435 378 A 15 CYS HBy A 19 LEU HBx 1.0 1.8 3.92 436 379 A 27 TYR HBx A 6 PHE HA 1.0 1.8 3.84 437 380 A 15 CYS HA A 3 ARG HBx 1.0 1.8 4.14 438 380 A 15 CYS HA A 3 ARG HBy 1.0 1.8 4.14 439 381 A 9 CYS HA A 8 ASP HBy 1.0 1.8 5.50 440 382 A 15 CYS HBx A 19 LEU HBx 1.0 1.8 4.98 441 383 A 28 CYS HBx A 19 LEU HBx 1.0 1.8 4.71 442 384 A 14 ASP HBy A 9 CYS HA 1.0 1.8 4.12 443 385 A 28 CYS HBy A 5 MET HA 1.0 1.8 5.31 444 386 A 27 TYR HBy A 6 PHE HA 1.0 1.8 4.65 445 387 A 5 MET HA A 29 ALA HA 1.0 1.8 5.13 446 388 A 21 CYS HBx A 12 ASP HA 1.0 1.8 4.76 447 389 A 15 CYS HA A 14 ASP HBx 1.0 1.8 5.50 448 390 A 27 TYR HBy A 8 ASP HA 1.0 1.8 4.74 449 391 A 14 ASP HBx A 9 CYS HA 1.0 1.8 4.70 450 392 A 2 CYS HBx A 1 ASP HA 1.0 1.8 5.50 451 393 A 5 MET HBx A 19 LEU HDy% 1.0 1.8 5.40 452 394 A 4 TYR HBy A 19 LEU HDy% 1.0 1.8 5.50 453 395 A 15 CYS HA A 3 ARG HGy 1.0 1.8 5.50 454 396 A 15 CYS HA A 3 ARG HGx 1.0 1.8 5.50 455 397 A 5 MET HBy A 29 ALA HA 1.0 1.8 5.50 456 398 A 5 MET HBx A 29 ALA HA 1.0 1.8 5.50 457 399 A 19 LEU HG A 30 TRP HA 1.0 1.8 5.32 458 400 A 14 ASP HBx A 9 CYS HBx 1.0 1.8 4.12 459 400 A 14 ASP HBx A 9 CYS HBy 1.0 1.8 4.12 460 401 A 11 LYS HA A 11 LYS HDx 1.0 1.8 5.50 461 402 A 11 LYS HA A 11 LYS HDy 1.0 1.8 5.50 462 403 A 22 LYS HDy A 23 ARG HGx 1.0 1.8 5.50 463 403 A 22 LYS HDx A 23 ARG HGx 1.0 1.8 5.50 464 403 A 23 ARG HGy A 22 LYS HDx 1.0 1.8 5.50 465 403 A 23 ARG HGy A 22 LYS HDy 1.0 1.8 5.50 466 404 A 2 CYS H A 1 ASP HBy 1.0 1.8 3.63 467 404 A 2 CYS H A 1 ASP HBx 1.0 1.8 3.63 468 405 A 3 ARG HA A 7 GLY HAx 1.0 1.8 5.34 469 405 A 3 ARG HA A 7 GLY HAy 1.0 1.8 5.34 470 406 A 3 ARG HBx A 7 GLY HAx 1.0 1.8 3.98 471 406 A 3 ARG HBy A 7 GLY HAx 1.0 1.8 3.98 472 406 A 7 GLY HAy A 3 ARG HBx 1.0 1.8 3.98 473 406 A 3 ARG HBy A 7 GLY HAy 1.0 1.8 3.98 474 407 A 3 ARG HGx A 7 GLY HAx 1.0 1.8 4.02 475 407 A 3 ARG HGy A 7 GLY HAx 1.0 1.8 4.02 476 407 A 7 GLY HAy A 3 ARG HGx 1.0 1.8 4.02 477 407 A 7 GLY HAy A 3 ARG HGy 1.0 1.8 4.02 478 408 A 8 ASP H A 3 ARG HGx 1.0 1.8 4.33 479 408 A 8 ASP H A 3 ARG HGy 1.0 1.8 4.33 480 409 A 3 ARG HDy A 7 GLY HAx 1.0 1.8 4.21 481 409 A 3 ARG HDx A 7 GLY HAx 1.0 1.8 4.21 482 409 A 7 GLY HAy A 3 ARG HDx 1.0 1.8 4.21 483 409 A 3 ARG HDy A 7 GLY HAy 1.0 1.8 4.21 484 410 A 3 ARG HE A 7 GLY HAx 1.0 1.8 5.34 485 410 A 7 GLY HAy A 3 ARG HE 1.0 1.8 5.34 486 411 A 4 TYR H A 7 GLY HAx 1.0 1.8 4.60 487 411 A 4 TYR H A 7 GLY HAy 1.0 1.8 4.60 488 412 A 4 TYR H A 19 LEU HDy% 1.0 1.8 5.44 489 412 A 4 TYR H A 19 LEU HDx% 1.0 1.8 5.44 490 413 A 4 TYR HA A 19 LEU HDy% 1.0 1.8 3.64 491 413 A 4 TYR HA A 19 LEU HDx% 1.0 1.8 3.64 492 414 A 4 TYR HD% A 19 LEU HDy% 1.0 1.8 3.51 493 414 A 4 TYR HD% A 19 LEU HDx% 1.0 1.8 3.51 494 415 A 4 TYR HE% A 19 LEU HDy% 1.0 1.8 4.33 495 415 A 4 TYR HE% A 19 LEU HDx% 1.0 1.8 4.33 496 416 A 5 MET H A 5 MET HGy 1.0 1.8 4.07 497 416 A 5 MET H A 5 MET HGx 1.0 1.8 4.07 498 417 A 5 MET H A 19 LEU HDy% 1.0 1.8 3.58 499 417 A 5 MET H A 19 LEU HDx% 1.0 1.8 3.58 500 418 A 5 MET HA A 19 LEU HDy% 1.0 1.8 4.03 501 418 A 5 MET HA A 19 LEU HDx% 1.0 1.8 4.03 502 419 A 5 MET HBx A 19 LEU HDy% 1.0 1.8 4.43 503 419 A 5 MET HBx A 19 LEU HDx% 1.0 1.8 4.43 504 420 A 6 PHE H A 5 MET HGy 1.0 1.8 4.79 505 420 A 6 PHE H A 5 MET HGx 1.0 1.8 4.79 506 421 A 6 PHE HD% A 5 MET HGy 1.0 1.8 4.08 507 421 A 6 PHE HD% A 5 MET HGx 1.0 1.8 4.08 508 422 A 6 PHE HE% A 5 MET HGy 1.0 1.8 3.92 509 422 A 6 PHE HE% A 5 MET HGx 1.0 1.8 3.92 510 423 A 5 MET HGx A 19 LEU HDy% 1.0 1.8 4.76 511 423 A 5 MET HGy A 19 LEU HDy% 1.0 1.8 4.76 512 423 A 19 LEU HDx% A 5 MET HGy 1.0 1.8 4.76 513 423 A 19 LEU HDx% A 5 MET HGx 1.0 1.8 4.76 514 424 A 27 TYR HD% A 5 MET HGy 1.0 1.8 4.40 515 424 A 27 TYR HD% A 5 MET HGx 1.0 1.8 4.40 516 425 A 29 ALA HA A 5 MET HGy 1.0 1.8 5.34 517 425 A 29 ALA HA A 5 MET HGx 1.0 1.8 5.34 518 426 A 30 TRP H A 5 MET HGy 1.0 1.8 5.34 519 426 A 30 TRP H A 5 MET HGx 1.0 1.8 5.34 520 427 A 30 TRP HE1 A 5 MET HGy 1.0 1.8 5.34 521 427 A 30 TRP HE1 A 5 MET HGx 1.0 1.8 5.34 522 428 A 6 PHE H A 19 LEU HDy% 1.0 1.8 4.65 523 428 A 6 PHE H A 19 LEU HDx% 1.0 1.8 4.65 524 429 A 8 ASP H A 7 GLY HAx 1.0 1.8 2.99 525 429 A 8 ASP H A 7 GLY HAy 1.0 1.8 2.99 526 430 A 8 ASP HBy A 7 GLY HAx 1.0 1.8 5.34 527 430 A 8 ASP HBy A 7 GLY HAy 1.0 1.8 5.34 528 431 A 27 TYR HA A 7 GLY HAx 1.0 1.8 5.34 529 431 A 27 TYR HA A 7 GLY HAy 1.0 1.8 5.34 530 432 A 10 GLU H A 11 LYS HGx 1.0 1.8 4.32 531 432 A 10 GLU H A 11 LYS HGy 1.0 1.8 4.32 532 433 A 11 LYS H A 11 LYS HBx 1.0 1.8 3.66 533 433 A 11 LYS H A 11 LYS HBy 1.0 1.8 3.66 534 434 A 11 LYS H A 11 LYS HGx 1.0 1.8 3.26 535 434 A 11 LYS H A 11 LYS HGy 1.0 1.8 3.26 536 435 A 11 LYS H A 11 LYS HDx 1.0 1.8 4.76 537 435 A 11 LYS H A 11 LYS HDy 1.0 1.8 4.76 538 436 A 11 LYS HBy A 11 LYS HEx 1.0 1.8 4.38 539 436 A 11 LYS HEy A 11 LYS HBx 1.0 1.8 4.38 540 436 A 11 LYS HBy A 11 LYS HEy 1.0 1.8 4.38 541 436 A 11 LYS HBx A 11 LYS HEx 1.0 1.8 4.38 542 437 A 12 ASP H A 11 LYS HBx 1.0 1.8 3.08 543 437 A 12 ASP H A 11 LYS HBy 1.0 1.8 3.08 544 438 A 12 ASP H A 11 LYS HGx 1.0 1.8 4.30 545 438 A 12 ASP H A 11 LYS HGy 1.0 1.8 4.30 546 439 A 13 GLU H A 11 LYS HGx 1.0 1.8 3.83 547 439 A 13 GLU H A 11 LYS HGy 1.0 1.8 3.83 548 440 A 11 LYS HGy A 13 GLU HBy 1.0 1.8 4.87 549 440 A 11 LYS HGx A 13 GLU HBy 1.0 1.8 4.87 550 440 A 13 GLU HBx A 11 LYS HGx 1.0 1.8 4.87 551 440 A 11 LYS HGy A 13 GLU HBx 1.0 1.8 4.87 552 441 A 14 ASP H A 11 LYS HGx 1.0 1.8 3.52 553 441 A 14 ASP H A 11 LYS HGy 1.0 1.8 3.52 554 442 A 14 ASP HA A 11 LYS HGx 1.0 1.8 5.34 555 442 A 11 LYS HGy A 14 ASP HA 1.0 1.8 5.34 556 443 A 13 GLU H A 11 LYS HDx 1.0 1.8 4.78 557 443 A 13 GLU H A 11 LYS HDy 1.0 1.8 4.78 558 444 A 14 ASP H A 11 LYS HDx 1.0 1.8 4.65 559 444 A 14 ASP H A 11 LYS HDy 1.0 1.8 4.65 560 445 A 13 GLU H A 13 GLU HBy 1.0 1.8 3.42 561 445 A 13 GLU H A 13 GLU HBx 1.0 1.8 3.42 562 446 A 13 GLU H A 13 GLU HGy 1.0 1.8 4.27 563 446 A 13 GLU H A 13 GLU HGx 1.0 1.8 4.27 564 447 A 13 GLU HA A 13 GLU HGy 1.0 1.8 3.57 565 447 A 13 GLU HA A 13 GLU HGx 1.0 1.8 3.57 566 448 A 13 GLU HBx A 13 GLU HGy 1.0 1.8 2.33 567 448 A 13 GLU HBy A 13 GLU HGy 1.0 1.8 2.33 568 448 A 13 GLU HGx A 13 GLU HBy 1.0 1.8 2.33 569 448 A 13 GLU HBx A 13 GLU HGx 1.0 1.8 2.33 570 449 A 14 ASP H A 13 GLU HBy 1.0 1.8 3.70 571 449 A 14 ASP H A 13 GLU HBx 1.0 1.8 3.70 572 450 A 14 ASP HBx A 13 GLU HBy 1.0 1.8 5.12 573 450 A 14 ASP HBx A 13 GLU HBx 1.0 1.8 5.12 574 451 A 14 ASP H A 13 GLU HGy 1.0 1.8 4.68 575 451 A 14 ASP H A 13 GLU HGx 1.0 1.8 4.68 576 452 A 15 CYS HA A 19 LEU HDy% 1.0 1.8 5.44 577 452 A 15 CYS HA A 19 LEU HDx% 1.0 1.8 5.44 578 453 A 15 CYS HBx A 19 LEU HDy% 1.0 1.8 4.90 579 453 A 15 CYS HBx A 19 LEU HDx% 1.0 1.8 4.90 580 454 A 16 CYS H A 19 LEU HDy% 1.0 1.8 3.49 581 454 A 16 CYS H A 19 LEU HDx% 1.0 1.8 3.49 582 455 A 16 CYS HBy A 19 LEU HDy% 1.0 1.8 4.96 583 455 A 16 CYS HBy A 19 LEU HDx% 1.0 1.8 4.96 584 456 A 16 CYS HBx A 19 LEU HDy% 1.0 1.8 3.44 585 456 A 16 CYS HBx A 19 LEU HDx% 1.0 1.8 3.44 586 457 A 17 LYS H A 17 LYS HGx 1.0 1.8 4.19 587 457 A 17 LYS H A 17 LYS HGy 1.0 1.8 4.19 588 458 A 17 LYS H A 19 LEU HDy% 1.0 1.8 5.44 589 458 A 17 LYS H A 19 LEU HDx% 1.0 1.8 5.44 590 459 A 18 HIS H A 17 LYS HGx 1.0 1.8 3.68 591 459 A 18 HIS H A 17 LYS HGy 1.0 1.8 3.68 592 460 A 19 LEU H A 19 LEU HDy% 1.0 1.8 3.96 593 460 A 19 LEU H A 19 LEU HDx% 1.0 1.8 3.96 594 461 A 19 LEU HA A 19 LEU HDy% 1.0 1.8 4.15 595 461 A 19 LEU HA A 19 LEU HDx% 1.0 1.8 4.15 596 462 A 20 GLY H A 19 LEU HDy% 1.0 1.8 4.28 597 462 A 20 GLY H A 19 LEU HDx% 1.0 1.8 4.28 598 463 A 28 CYS HBy A 19 LEU HDy% 1.0 1.8 4.00 599 463 A 28 CYS HBy A 19 LEU HDx% 1.0 1.8 4.00 600 464 A 28 CYS HBx A 19 LEU HDy% 1.0 1.8 4.23 601 464 A 28 CYS HBx A 19 LEU HDx% 1.0 1.8 4.23 602 465 A 29 ALA H A 19 LEU HDy% 1.0 1.8 4.63 603 465 A 29 ALA H A 19 LEU HDx% 1.0 1.8 4.63 604 466 A 29 ALA HA A 19 LEU HDy% 1.0 1.8 4.49 605 466 A 29 ALA HA A 19 LEU HDx% 1.0 1.8 4.49 606 467 A 29 ALA HB% A 19 LEU HDy% 1.0 1.8 5.44 607 467 A 29 ALA HB% A 19 LEU HDx% 1.0 1.8 5.44 608 468 A 30 TRP H A 19 LEU HDy% 1.0 1.8 4.28 609 468 A 30 TRP H A 19 LEU HDx% 1.0 1.8 4.28 610 469 A 19 LEU HDy% A 30 TRP HBx 1.0 1.8 4.76 611 469 A 19 LEU HDx% A 30 TRP HBx 1.0 1.8 4.76 612 469 A 30 TRP HBy A 19 LEU HDy% 1.0 1.8 4.76 613 469 A 19 LEU HDx% A 30 TRP HBy 1.0 1.8 4.76 614 470 A 30 TRP HD1 A 19 LEU HDy% 1.0 1.8 5.25 615 470 A 30 TRP HD1 A 19 LEU HDx% 1.0 1.8 5.25 616 471 A 30 TRP HE3 A 19 LEU HDy% 1.0 1.8 3.56 617 471 A 30 TRP HE3 A 19 LEU HDx% 1.0 1.8 3.56 618 472 A 30 TRP HZ3 A 19 LEU HDy% 1.0 1.8 4.35 619 472 A 30 TRP HZ3 A 19 LEU HDx% 1.0 1.8 4.35 620 473 A 30 TRP HH2 A 19 LEU HDy% 1.0 1.8 5.24 621 473 A 30 TRP HH2 A 19 LEU HDx% 1.0 1.8 5.24 622 474 A 31 ASP H A 19 LEU HDy% 1.0 1.8 4.53 623 474 A 31 ASP H A 19 LEU HDx% 1.0 1.8 4.53 624 475 A 21 CYS H A 20 GLY HAy 1.0 1.8 2.98 625 475 A 21 CYS H A 20 GLY HAx 1.0 1.8 2.98 626 476 A 21 CYS HBy A 20 GLY HAy 1.0 1.8 5.34 627 476 A 21 CYS HBy A 20 GLY HAx 1.0 1.8 5.34 628 477 A 29 ALA H A 20 GLY HAy 1.0 1.8 5.34 629 477 A 29 ALA H A 20 GLY HAx 1.0 1.8 5.34 630 478 A 22 LYS H A 22 LYS HGx 1.0 1.8 4.25 631 478 A 22 LYS H A 22 LYS HGy 1.0 1.8 4.25 632 479 A 22 LYS HDy A 25 MET HGy 1.0 1.8 5.34 633 479 A 22 LYS HDx A 25 MET HGy 1.0 1.8 5.34 634 479 A 25 MET HGx A 22 LYS HDx 1.0 1.8 5.34 635 479 A 22 LYS HDy A 25 MET HGx 1.0 1.8 5.34 636 480 A 25 MET H A 25 MET HGy 1.0 1.8 3.88 637 480 A 25 MET H A 25 MET HGx 1.0 1.8 3.88 638 481 A 26 LYS H A 25 MET HGy 1.0 1.8 5.34 639 481 A 26 LYS H A 25 MET HGx 1.0 1.8 5.34 640 482 A 27 TYR HD% A 25 MET HGy 1.0 1.8 4.76 641 482 A 27 TYR HD% A 25 MET HGx 1.0 1.8 4.76 642 483 A 27 TYR HE% A 25 MET HGy 1.0 1.8 4.28 643 483 A 27 TYR HE% A 25 MET HGx 1.0 1.8 4.28 644 484 A 30 TRP HE3 A 30 TRP HBx 1.0 1.8 3.36 645 484 A 30 TRP HE3 A 30 TRP HBy 1.0 1.8 3.36 646 485 A 11 LYS HA A 23 ARG HDx 1.0 4.5 34.50 647 485 A 23 ARG HDy A 11 LYS HA 1.0 4.5 34.50 648 486 A 21 CYS HBy A 23 ARG HDx 1.0 4.5 34.50 649 486 A 23 ARG HDy A 21 CYS HBy 1.0 4.5 34.50 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 3 ARG H A 14 ASP O 1.0 0.0 2.3 2 2 A 14 ASP O A 3 ARG N 1.0 0.0 3.3 3 3 A 6 PHE H A 28 CYS O 1.0 0.0 2.3 4 4 A 28 CYS O A 6 PHE N 1.0 0.0 3.3 5 5 A 7 GLY H A 4 TYR O 1.0 0.0 2.3 6 6 A 4 TYR O A 7 GLY N 1.0 0.0 3.3 7 7 A 9 CYS H A 26 LYS O 1.0 0.0 2.3 8 8 A 26 LYS O A 9 CYS N 1.0 0.0 3.3 9 9 A 10 GLU H A 14 ASP OD2 1.0 0.0 2.3 10 9 A 10 GLU H A 14 ASP OD1 1.0 0.0 2.3 11 10 A 14 ASP OD2 A 10 GLU N 1.0 0.0 3.3 12 10 A 14 ASP OD1 A 10 GLU N 1.0 0.0 3.3 13 11 A 11 LYS H A 14 ASP OD2 1.0 0.0 2.3 14 11 A 11 LYS H A 14 ASP OD1 1.0 0.0 2.3 15 12 A 14 ASP OD2 A 11 LYS N 1.0 0.0 3.3 16 12 A 14 ASP OD1 A 11 LYS N 1.0 0.0 3.3 17 13 A 14 ASP H A 11 LYS O 1.0 0.0 2.3 18 14 A 11 LYS O A 14 ASP N 1.0 0.0 3.3 19 15 A 15 CYS H A 12 ASP O 1.0 0.0 2.3 20 16 A 12 ASP O A 15 CYS N 1.0 0.0 3.3 21 17 A 16 CYS H A 3 ARG O 1.0 0.0 2.3 22 18 A 3 ARG O A 16 CYS N 1.0 0.0 3.3 23 19 A 19 LEU H A 16 CYS O 1.0 0.0 2.3 24 20 A 16 CYS O A 19 LEU N 1.0 0.0 3.3 25 21 A 20 GLY H A 29 ALA O 1.0 0.0 2.3 26 22 A 29 ALA O A 20 GLY N 1.0 0.0 3.3 27 23 A 21 CYS H A 12 ASP OD2 1.0 0.0 2.3 28 23 A 21 CYS H A 12 ASP OD1 1.0 0.0 2.3 29 24 A 12 ASP OD2 A 21 CYS N 1.0 0.0 3.3 30 24 A 12 ASP OD1 A 21 CYS N 1.0 0.0 3.3 31 25 A 22 LYS H A 27 TYR O 1.0 0.0 2.3 32 26 A 27 TYR O A 22 LYS N 1.0 0.0 3.3 33 27 A 27 TYR H A 22 LYS O 1.0 0.0 2.3 34 28 A 22 LYS O A 27 TYR N 1.0 0.0 3.3 35 29 A 25 MET H A 22 LYS O 1.0 0.0 2.3 36 30 A 22 LYS O A 25 MET N 1.0 0.0 3.3 37 31 A 29 ALA H A 20 GLY O 1.0 0.0 2.3 38 32 A 20 GLY O A 29 ALA N 1.0 0.0 3.3 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 undefined _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 3 ARG C A 4 TYR N A 4 TYR CA A 4 TYR C 1.0 -119.4 -46.6 PHI 2 2 A 4 TYR C A 5 MET N A 5 MET CA A 5 MET C 1.0 -84.4 -44.4 PHI 3 3 A 8 ASP C A 9 CYS N A 9 CYS CA A 9 CYS C 1.0 -156.4 -111.8 PHI 4 4 A 9 CYS N A 9 CYS CA A 9 CYS C A 10 GLU N 1.0 136.1 176.1 PSI 5 5 A 10 GLU C A 11 LYS N A 11 LYS CA A 11 LYS C 1.0 -171.7 -98.9 PHI 6 6 A 11 LYS N A 11 LYS CA A 11 LYS C A 12 ASP N 1.0 129.2 177.2 PSI 7 7 A 11 LYS C A 12 ASP N A 12 ASP CA A 12 ASP C 1.0 -78.1 -38.1 PHI 8 8 A 12 ASP N A 12 ASP CA A 12 ASP C A 13 GLU N 1.0 -56.4 -16.4 PSI 9 9 A 12 ASP C A 13 GLU N A 13 GLU CA A 13 GLU C 1.0 -87.1 -47.1 PHI 10 10 A 13 GLU N A 13 GLU CA A 13 GLU C A 14 ASP N 1.0 -42.3 -2.3 PSI 11 11 A 13 GLU C A 14 ASP N A 14 ASP CA A 14 ASP C 1.0 -103.3 -63.3 PHI 12 12 A 14 ASP N A 14 ASP CA A 14 ASP C A 15 CYS N 1.0 -31.9 8.1 PSI 13 13 A 15 CYS C A 16 CYS N A 16 CYS CA A 16 CYS C 1.0 -101.6 -41.6 PHI 14 14 A 16 CYS N A 16 CYS CA A 16 CYS C A 17 LYS N 1.0 118.3 178.3 PSI 15 15 A 16 CYS C A 17 LYS N A 17 LYS CA A 17 LYS C 1.0 -92.7 -32.7 PHI 16 16 A 17 LYS N A 17 LYS CA A 17 LYS C A 18 HIS N 1.0 -61.2 -1.2 PSI 17 17 A 17 LYS C A 18 HIS N A 18 HIS CA A 18 HIS C 1.0 -115.2 -31.4 PHI 18 18 A 18 HIS N A 18 HIS CA A 18 HIS C A 19 LEU N 1.0 -69.3 37.3 PSI 19 19 A 18 HIS C A 19 LEU N A 19 LEU CA A 19 LEU C 1.0 -172.8 -36.2 PHI 20 20 A 19 LEU N A 19 LEU CA A 19 LEU C A 20 GLY N 1.0 74.4 201.6 PSI 21 21 A 20 GLY C A 21 CYS N A 21 CYS CA A 21 CYS C 1.0 -107.6 -67.6 PHI 22 22 A 21 CYS N A 21 CYS CA A 21 CYS C A 22 LYS N 1.0 101.9 141.9 PSI 23 23 A 21 CYS C A 22 LYS N A 22 LYS CA A 22 LYS C 1.0 -109.5 -54.3 PHI 24 24 A 22 LYS N A 22 LYS CA A 22 LYS C A 23 ARG N 1.0 -190.4 429.6 PSI 25 25 A 23 ARG C A 24 LYS N A 24 LYS CA A 24 LYS C 1.0 -88.7 -48.7 PHI 26 26 A 24 LYS N A 24 LYS CA A 24 LYS C A 25 MET N 1.0 -59.2 -19.2 PSI 27 27 A 24 LYS C A 25 MET N A 25 MET CA A 25 MET C 1.0 -111.5 -71.5 PHI 28 28 A 25 MET N A 25 MET CA A 25 MET C A 26 LYS N 1.0 -29.9 10.1 PSI 29 29 A 25 MET C A 26 LYS N A 26 LYS CA A 26 LYS C 1.0 36.1 76.1 PHI 30 30 A 26 LYS N A 26 LYS CA A 26 LYS C A 27 TYR N 1.0 26.7 66.7 PSI 31 31 A 26 LYS C A 27 TYR N A 27 TYR CA A 27 TYR C 1.0 -162.5 -97.5 PHI 32 32 A 27 TYR N A 27 TYR CA A 27 TYR C A 28 CYS N 1.0 132.5 176.3 PSI 33 33 A 27 TYR C A 28 CYS N A 28 CYS CA A 28 CYS C 1.0 -102.6 -42.6 PHI 34 34 A 28 CYS N A 28 CYS CA A 28 CYS C A 29 ALA N 1.0 105.7 164.9 PSI 35 35 A 28 CYS C A 29 ALA N A 29 ALA CA A 29 ALA C 1.0 -138.7 -23.7 PHI 36 36 A 29 ALA C A 30 TRP N A 30 TRP CA A 30 TRP C 1.0 -101.7 -56.3 PHI 37 37 A 1 ASP C A 2 CYS N A 2 CYS CA A 2 CYS C 1.0 -180.0 -20.0 PHI 38 38 A 7 GLY C A 8 ASP N A 8 ASP CA A 8 ASP C 1.0 -180.0 -20.0 PHI 39 39 A 30 TRP C A 31 ASP N A 31 ASP CA A 31 ASP C 1.0 -180.0 -20.0 PHI 40 40 A 31 ASP C A 32 PHE N A 32 PHE CA A 32 PHE C 1.0 -180.0 -20.0 PHI 41 41 A 32 PHE C A 33 THR N A 33 THR CA A 33 THR C 1.0 -180.0 -20.0 PHI 42 42 A 33 THR C A 34 PHE N A 34 PHE CA A 34 PHE C 1.0 -180.0 -20.0 PHI 43 43 A 34 PHE C A 35 THR N A 35 THR CA A 35 THR C 1.0 -180.0 -20.0 PHI 44 44 A 2 CYS N A 2 CYS CA A 2 CYS CB A 2 CYS SG 1.0 30.0 90.0 CHI1 45 45 A 4 TYR N A 4 TYR CA A 4 TYR CB A 4 TYR CG 1.0 -90.0 -30.0 CHI1 46 46 A 5 MET N A 5 MET CA A 5 MET CB A 5 MET CG 1.0 -210.0 -150.0 CHI1 47 47 A 6 PHE N A 6 PHE CA A 6 PHE CB A 6 PHE CG 1.0 -90.0 -30.0 CHI1 48 48 A 8 ASP N A 8 ASP CA A 8 ASP CB A 8 ASP CG 1.0 -210.0 -150.0 CHI1 49 49 A 10 GLU N A 10 GLU CA A 10 GLU CB A 10 GLU CG 1.0 -90.0 -30.0 CHI1 50 50 A 12 ASP N A 12 ASP CA A 12 ASP CB A 12 ASP CG 1.0 -90.0 -30.0 CHI1 51 51 A 14 ASP N A 14 ASP CA A 14 ASP CB A 14 ASP CG 1.0 -90.0 -30.0 CHI1 52 52 A 15 CYS N A 15 CYS CA A 15 CYS CB A 15 CYS SG 1.0 -90.0 -30.0 CHI1 53 53 A 16 CYS N A 16 CYS CA A 16 CYS CB A 16 CYS SG 1.0 -90.0 -30.0 CHI1 54 54 A 17 LYS N A 17 LYS CA A 17 LYS CB A 17 LYS CG 1.0 -90.0 -30.0 CHI1 55 55 A 19 LEU N A 19 LEU CA A 19 LEU CB A 19 LEU CG 1.0 -90.0 -30.0 CHI1 56 56 A 21 CYS N A 21 CYS CA A 21 CYS CB A 21 CYS SG 1.0 150.0 210.0 CHI1 57 57 A 22 LYS N A 22 LYS CA A 22 LYS CB A 22 LYS CG 1.0 -90.0 -30.0 CHI1 58 58 A 23 ARG N A 23 ARG CA A 23 ARG CB A 23 ARG CG 1.0 -90.0 -30.0 CHI1 59 59 A 25 MET N A 25 MET CA A 25 MET CB A 25 MET CG 1.0 -90.0 -30.0 CHI1 60 60 A 26 LYS N A 26 LYS CA A 26 LYS CB A 26 LYS CG 1.0 -90.0 -30.0 CHI1 61 61 A 27 TYR N A 27 TYR CA A 27 TYR CB A 27 TYR CG 1.0 30.0 90.0 CHI1 62 62 A 28 CYS N A 28 CYS CA A 28 CYS CB A 28 CYS SG 1.0 -90.0 -30.0 CHI1 stop_ save_