data_nef_c30376_6br0 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 6BR0 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 17 CYS SG 1 9 CYS SG 1 22 CYS SG 1 16 CYS SG 1 29 CYS SG 1 33 LEU C 1 34 NH2 N stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 ASP start . . 2 A 2 CYS middle -HG . 3 A 3 LEU middle . . 4 A 4 GLY middle . false 5 A 5 TRP middle . . 6 A 6 PHE middle . . 7 A 7 LYS middle . . 8 A 8 SER middle . . 9 A 9 CYS middle -HG . 10 A 10 ASP middle . . 11 A 11 PRO middle . false 12 A 12 LYS middle . . 13 A 13 ASN middle . . 14 A 14 ASP middle . . 15 A 15 LYS middle . . 16 A 16 CYS middle -HG . 17 A 17 CYS middle -HG . 18 A 18 LYS middle . . 19 A 19 ASN middle . . 20 A 20 TYR middle . . 21 A 21 THR middle . . 22 A 22 CYS middle -HG . 23 A 23 SER middle . . 24 A 24 ARG middle . . 25 A 25 ARG middle . . 26 A 26 ASP middle . . 27 A 27 ARG middle . . 28 A 28 TRP middle . . 29 A 29 CYS middle -HG . 30 A 30 LYS middle . . 31 A 31 TYR middle . . 32 A 32 ASP middle . . 33 A 33 LEU middle -OXT . 34 A 34 NH2 end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 ASP HA H 1 4.388 0.001 A 1 ASP HBx H 1 2.828 0.002 A 1 ASP HBy H 1 2.955 0.004 A 1 ASP CA C 13 52.948 0.000 A 1 ASP CB C 13 39.137 0.004 A 2 CYS H H 1 8.677 0.001 A 2 CYS HA H 1 4.910 0.004 A 2 CYS HBx H 1 3.103 0.005 A 2 CYS HBy H 1 3.250 0.006 A 2 CYS CA C 13 54.558 0.000 A 2 CYS CB C 13 43.211 0.033 A 3 LEU H H 1 8.454 0.002 A 3 LEU HA H 1 4.309 0.004 A 3 LEU HBx H 1 1.334 0.006 A 3 LEU HBy H 1 1.798 0.006 A 3 LEU HDx% H 1 0.946 0.003 A 3 LEU HDy% H 1 0.818 0.002 A 3 LEU HG H 1 1.550 0.007 A 3 LEU CA C 13 54.410 0.000 A 3 LEU CB C 13 44.080 0.012 A 3 LEU CDy C 13 26.179 0.000 A 3 LEU CDx C 13 24.622 0.000 A 3 LEU CG C 13 26.106 0.000 A 3 LEU N N 15 121.287 0.000 A 4 GLY H H 1 7.913 0.003 A 4 GLY HAy H 1 3.595 0.005 A 4 GLY HAx H 1 3.421 0.005 A 4 GLY CA C 13 42.310 0.005 A 4 GLY N N 15 109.127 0.000 A 5 TRP H H 1 7.705 0.001 A 5 TRP HA H 1 3.812 0.003 A 5 TRP HBx H 1 2.932 0.002 A 5 TRP HBy H 1 3.069 0.003 A 5 TRP HD1 H 1 7.217 0.002 A 5 TRP HE1 H 1 10.220 0.001 A 5 TRP HE3 H 1 7.384 0.002 A 5 TRP HH2 H 1 6.812 0.000 A 5 TRP HZ2 H 1 7.090 0.006 A 5 TRP HZ3 H 1 6.401 0.002 A 5 TRP CA C 13 59.414 0.000 A 5 TRP CB C 13 29.893 0.003 A 5 TRP N N 15 118.078 0.000 A 6 PHE H H 1 9.041 0.001 A 6 PHE HA H 1 3.585 0.005 A 6 PHE HBx H 1 2.364 0.002 A 6 PHE HBy H 1 2.745 0.006 A 6 PHE HDx H 1 5.836 0.001 A 6 PHE HDy H 1 5.836 0.001 A 6 PHE HEx H 1 6.772 0.001 A 6 PHE HEy H 1 6.772 0.001 A 6 PHE HZ H 1 6.515 0.003 A 6 PHE CA C 13 59.938 0.000 A 6 PHE CB C 13 36.602 0.002 A 6 PHE N N 15 119.093 0.000 A 7 LYS H H 1 7.878 0.001 A 7 LYS HA H 1 4.389 0.002 A 7 LYS HBx H 1 1.750 0.004 A 7 LYS HBy H 1 2.009 0.005 A 7 LYS HDx H 1 1.636 0.001 A 7 LYS HDy H 1 1.690 0.010 A 7 LYS HEx H 1 2.982 0.006 A 7 LYS HEy H 1 2.982 0.006 A 7 LYS HGx H 1 1.222 0.005 A 7 LYS HGy H 1 1.459 0.002 A 7 LYS HZ1 H 1 7.540 0.000 A 7 LYS HZ2 H 1 7.540 0.000 A 7 LYS HZ3 H 1 7.540 0.000 A 7 LYS CA C 13 54.517 0.000 A 7 LYS CB C 13 32.550 0.006 A 7 LYS CD C 13 28.991 0.000 A 7 LYS CG C 13 24.469 0.033 A 7 LYS N N 15 120.149 0.000 A 8 SER H H 1 8.482 0.006 A 8 SER HA H 1 4.904 0.007 A 8 SER HBx H 1 3.923 0.001 A 8 SER HBy H 1 3.967 0.002 A 8 SER CA C 13 59.417 0.000 A 8 SER CB C 13 63.511 0.001 A 8 SER N N 15 117.056 0.000 A 9 CYS H H 1 8.210 0.001 A 9 CYS HA H 1 4.854 0.007 A 9 CYS HBx H 1 3.005 0.001 A 9 CYS HBy H 1 3.060 0.006 A 9 CYS CA C 13 54.915 0.000 A 9 CYS CB C 13 46.522 0.008 A 9 CYS N N 15 120.329 0.000 A 10 ASP H H 1 8.960 0.002 A 10 ASP HA H 1 5.055 0.004 A 10 ASP HBx H 1 2.580 0.001 A 10 ASP HBy H 1 2.909 0.002 A 10 ASP CA C 13 49.134 0.000 A 10 ASP CB C 13 42.581 0.000 A 10 ASP N N 15 120.572 0.000 A 11 PRO HA H 1 3.877 0.003 A 11 PRO HBx H 1 1.911 0.005 A 11 PRO HBy H 1 2.147 0.003 A 11 PRO HDx H 1 3.840 0.003 A 11 PRO HDy H 1 3.910 0.005 A 11 PRO HGx H 1 1.801 0.003 A 11 PRO HGy H 1 2.019 0.008 A 11 PRO CA C 13 64.511 0.000 A 11 PRO CB C 13 32.194 0.002 A 11 PRO CD C 13 50.718 0.006 A 11 PRO CG C 13 27.623 0.006 A 12 LYS H H 1 7.987 0.006 A 12 LYS HA H 1 4.197 0.003 A 12 LYS HBx H 1 1.775 0.005 A 12 LYS HBy H 1 1.841 0.005 A 12 LYS HDx H 1 1.415 0.003 A 12 LYS HDy H 1 1.415 0.003 A 12 LYS HEx H 1 2.892 0.000 A 12 LYS HEy H 1 2.892 0.000 A 12 LYS HGx H 1 1.583 0.001 A 12 LYS HGy H 1 1.678 0.007 A 12 LYS HZ1 H 1 7.497 0.002 A 12 LYS HZ2 H 1 7.497 0.002 A 12 LYS HZ3 H 1 7.497 0.002 A 12 LYS CA C 13 56.745 0.000 A 12 LYS CB C 13 32.379 0.057 A 12 LYS CD C 13 28.046 0.000 A 12 LYS CE C 13 41.887 0.000 A 12 LYS CG C 13 25.214 0.000 A 12 LYS N N 15 123.559 0.000 A 13 ASN H H 1 7.558 0.002 A 13 ASN HA H 1 4.692 0.004 A 13 ASN HBx H 1 2.512 0.004 A 13 ASN HBy H 1 2.628 0.003 A 13 ASN HD2y H 1 6.665 0.003 A 13 ASN HD2x H 1 6.402 0.002 A 13 ASN CA C 13 52.339 0.000 A 13 ASN CB C 13 38.173 0.045 A 13 ASN N N 15 112.670 0.000 A 14 ASP H H 1 8.607 0.001 A 14 ASP HA H 1 4.231 0.002 A 14 ASP HBx H 1 2.614 0.005 A 14 ASP HBy H 1 3.097 0.013 A 14 ASP CA C 13 55.184 0.000 A 14 ASP CB C 13 40.343 0.009 A 14 ASP N N 15 122.674 0.000 A 15 LYS H H 1 8.091 0.001 A 15 LYS HA H 1 4.653 0.004 A 15 LYS HBx H 1 1.615 0.002 A 15 LYS HBy H 1 2.347 0.001 A 15 LYS HDx H 1 1.482 0.001 A 15 LYS HDy H 1 1.482 0.001 A 15 LYS HGx H 1 1.381 0.003 A 15 LYS HGy H 1 1.381 0.003 A 15 LYS HZ1 H 1 7.491 0.000 A 15 LYS HZ2 H 1 7.491 0.000 A 15 LYS HZ3 H 1 7.491 0.000 A 15 LYS CA C 13 54.614 0.000 A 15 LYS CB C 13 31.460 0.012 A 15 LYS CD C 13 30.951 0.000 A 15 LYS CG C 13 24.525 0.000 A 16 CYS H H 1 8.916 0.004 A 16 CYS HA H 1 5.080 0.002 A 16 CYS HBx H 1 2.890 0.001 A 16 CYS HBy H 1 2.890 0.001 A 16 CYS CA C 13 56.628 0.000 A 16 CYS CB C 13 38.876 0.000 A 16 CYS N N 15 120.738 0.000 A 17 CYS H H 1 9.265 0.001 A 17 CYS HA H 1 4.479 0.003 A 17 CYS HBx H 1 2.463 0.002 A 17 CYS HBy H 1 3.462 0.005 A 17 CYS CA C 13 54.363 0.000 A 17 CYS CB C 13 41.822 0.017 A 17 CYS N N 15 121.246 0.000 A 18 LYS H H 1 8.279 0.002 A 18 LYS HA H 1 4.111 0.001 A 18 LYS HBx H 1 1.703 0.003 A 18 LYS HBy H 1 1.841 0.003 A 18 LYS HDx H 1 1.450 0.004 A 18 LYS HDy H 1 1.450 0.004 A 18 LYS HEx H 1 3.102 0.006 A 18 LYS HEy H 1 3.102 0.006 A 18 LYS HGy H 1 1.165 0.000 A 18 LYS HZ1 H 1 7.167 0.002 A 18 LYS HZ2 H 1 7.167 0.002 A 18 LYS HZ3 H 1 7.167 0.002 A 18 LYS CA C 13 58.620 0.000 A 18 LYS CB C 13 32.325 0.020 A 18 LYS CD C 13 26.948 0.000 A 18 LYS N N 15 119.963 0.000 A 19 ASN H H 1 8.650 0.003 A 19 ASN HA H 1 4.089 0.014 A 19 ASN HBx H 1 2.612 0.007 A 19 ASN HBy H 1 3.259 0.002 A 19 ASN HD2y H 1 7.443 0.000 A 19 ASN HD2x H 1 6.906 0.000 A 19 ASN CA C 13 57.813 0.000 A 19 ASN CB C 13 37.059 0.018 A 19 ASN N N 15 115.270 0.000 A 20 TYR H H 1 8.539 0.003 A 20 TYR HA H 1 5.130 0.003 A 20 TYR HBx H 1 2.503 0.005 A 20 TYR HBy H 1 3.317 0.005 A 20 TYR HDx H 1 6.669 0.003 A 20 TYR HDy H 1 6.669 0.003 A 20 TYR HEx H 1 6.405 0.000 A 20 TYR HEy H 1 6.405 0.000 A 20 TYR CB C 13 40.984 0.013 A 20 TYR N N 15 117.112 0.000 A 21 THR H H 1 8.974 0.002 A 21 THR HA H 1 4.604 0.002 A 21 THR HB H 1 3.908 0.003 A 21 THR HG2% H 1 1.111 0.002 A 21 THR CA C 13 60.674 0.000 A 21 THR CB C 13 71.825 0.000 A 21 THR CG2 C 13 20.794 0.000 A 21 THR N N 15 114.244 0.000 A 22 CYS H H 1 9.285 0.003 A 22 CYS HA H 1 4.575 0.004 A 22 CYS HBx H 1 2.633 0.002 A 22 CYS HBy H 1 3.071 0.004 A 22 CYS CA C 13 55.897 0.000 A 22 CYS CB C 13 38.828 0.017 A 22 CYS N N 15 127.034 0.000 A 23 SER H H 1 8.001 0.002 A 23 SER HA H 1 4.355 0.002 A 23 SER HBx H 1 3.696 0.005 A 23 SER HBy H 1 3.986 0.002 A 23 SER CA C 13 57.587 0.000 A 23 SER CB C 13 63.586 0.063 A 23 SER N N 15 114.610 0.000 A 24 ARG H H 1 8.879 0.001 A 24 ARG HA H 1 3.809 0.002 A 24 ARG HBx H 1 1.736 0.003 A 24 ARG HBy H 1 1.816 0.006 A 24 ARG HDx H 1 3.196 0.003 A 24 ARG HDy H 1 3.196 0.003 A 24 ARG HE H 1 7.233 0.001 A 24 ARG HGx H 1 1.609 0.005 A 24 ARG HGy H 1 1.609 0.005 A 24 ARG CA C 13 58.111 0.000 A 24 ARG CB C 13 29.815 0.020 A 24 ARG CD C 13 43.277 0.000 A 24 ARG CG C 13 28.249 0.000 A 24 ARG N N 15 128.971 0.000 A 25 ARG H H 1 7.876 0.004 A 25 ARG HA H 1 4.100 0.002 A 25 ARG HBx H 1 1.497 0.005 A 25 ARG HBy H 1 1.676 0.002 A 25 ARG HGx H 1 1.601 0.002 A 25 ARG HGy H 1 1.734 0.000 A 25 ARG CA C 13 58.603 0.000 A 25 ARG CB C 13 30.940 0.026 A 25 ARG CG C 13 28.161 0.006 A 25 ARG N N 15 116.072 0.000 A 26 ASP H H 1 7.394 0.004 A 26 ASP HA H 1 4.288 0.002 A 26 ASP HBx H 1 1.022 0.004 A 26 ASP HBy H 1 1.250 0.003 A 26 ASP CA C 13 54.227 0.000 A 26 ASP CB C 13 39.270 0.027 A 26 ASP N N 15 114.001 0.000 A 27 ARG H H 1 8.190 0.003 A 27 ARG HA H 1 3.781 0.005 A 27 ARG HBx H 1 1.999 0.005 A 27 ARG HBy H 1 2.345 0.002 A 27 ARG HDx H 1 3.195 0.009 A 27 ARG HDy H 1 3.195 0.009 A 27 ARG HE H 1 7.285 0.001 A 27 ARG HGx H 1 1.286 0.006 A 27 ARG HGy H 1 1.410 0.006 A 27 ARG CB C 13 26.275 0.013 A 27 ARG CD C 13 43.252 0.000 A 27 ARG CG C 13 28.074 0.017 A 28 TRP H H 1 6.858 0.012 A 28 TRP HA H 1 5.592 0.002 A 28 TRP HBx H 1 2.599 0.006 A 28 TRP HBy H 1 3.132 0.008 A 28 TRP HD1 H 1 6.866 0.003 A 28 TRP HE1 H 1 10.219 0.001 A 28 TRP HH2 H 1 7.052 0.000 A 28 TRP HZ2 H 1 7.456 0.008 A 28 TRP HZ3 H 1 6.787 0.000 A 28 TRP CA C 13 57.180 0.000 A 28 TRP CB C 13 31.196 0.002 A 28 TRP N N 15 111.750 0.000 A 29 CYS H H 1 8.464 0.003 A 29 CYS HA H 1 4.925 0.006 A 29 CYS HBx H 1 2.548 0.011 A 29 CYS HBy H 1 3.329 0.002 A 29 CYS CA C 13 55.289 0.000 A 29 CYS CB C 13 39.127 0.050 A 29 CYS N N 15 118.719 0.000 A 30 LYS H H 1 9.341 0.002 A 30 LYS HA H 1 4.849 0.002 A 30 LYS HBx H 1 1.904 0.001 A 30 LYS HBy H 1 1.986 0.002 A 30 LYS HDx H 1 1.744 0.003 A 30 LYS HDy H 1 1.744 0.003 A 30 LYS HGx H 1 1.581 0.015 A 30 LYS HGy H 1 1.581 0.015 A 30 LYS CA C 13 53.777 0.000 A 30 LYS CB C 13 35.646 0.022 A 30 LYS CD C 13 29.614 0.000 A 30 LYS CG C 13 24.709 0.000 A 30 LYS N N 15 126.255 0.000 A 31 TYR H H 1 7.649 0.001 A 31 TYR HA H 1 3.950 0.002 A 31 TYR HBx H 1 2.224 0.002 A 31 TYR HBy H 1 2.649 0.002 A 31 TYR HDx H 1 6.507 0.001 A 31 TYR HDy H 1 6.507 0.001 A 31 TYR HEx H 1 6.450 0.001 A 31 TYR HEy H 1 6.450 0.001 A 31 TYR CA C 13 57.939 0.000 A 31 TYR CB C 13 38.474 0.004 A 31 TYR N N 15 112.606 0.000 A 32 ASP H H 1 8.437 0.003 A 32 ASP HA H 1 4.453 0.003 A 32 ASP HBx H 1 2.428 0.002 A 32 ASP HBy H 1 2.553 0.003 A 32 ASP CA C 13 53.445 0.000 A 32 ASP CB C 13 38.457 0.010 A 32 ASP N N 15 125.757 0.000 A 33 LEU H H 1 6.536 0.013 A 33 LEU HA H 1 4.137 0.002 A 33 LEU HBx H 1 1.266 0.015 A 33 LEU HBy H 1 1.480 0.002 A 33 LEU HDx% H 1 0.816 0.004 A 33 LEU HDy% H 1 0.743 0.001 A 33 LEU CB C 13 41.918 0.009 A 33 LEU CDy C 13 23.210 0.000 A 33 LEU CDx C 13 23.155 0.000 A 33 LEU N N 15 121.203 0.000 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 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 21 THR H A 21 THR HB 1.0 0.0 3.14 2 2 A 20 TYR H A 20 TYR HBx 1.0 0.0 3.45 3 3 A 20 TYR H A 20 TYR HBy 1.0 0.0 3.45 4 4 A 21 THR H A 20 TYR HA 1.0 0.0 2.71 5 5 A 20 TYR H A 19 ASN HA 1.0 0.0 3.30 6 6 A 19 ASN H A 19 ASN HBx 1.0 0.0 4.14 7 7 A 19 ASN H A 19 ASN HBy 1.0 0.0 4.14 8 8 A 19 ASN HA A 19 ASN H 1.0 0.0 2.40 9 9 A 17 CYS HA A 18 LYS H 1.0 0.0 2.65 10 10 A 23 SER H A 23 SER HBx 1.0 0.0 2.99 11 11 A 23 SER H A 23 SER HBy 1.0 0.0 2.99 12 12 A 10 ASP H A 10 ASP HBx 1.0 0.0 3.17 13 13 A 10 ASP H A 10 ASP HBy 1.0 0.0 3.17 14 14 A 21 THR HA A 22 CYS H 1.0 0.0 2.65 15 15 A 22 CYS H A 22 CYS HBy 1.0 0.0 3.40 16 16 A 22 CYS H A 22 CYS HBx 1.0 0.0 3.08 17 17 A 23 SER H A 22 CYS HA 1.0 0.0 2.62 18 18 A 23 SER HA A 24 ARG H 1.0 0.0 2.49 19 19 A 24 ARG H A 24 ARG HBx 1.0 0.0 3.36 20 20 A 24 ARG H A 24 ARG HBy 1.0 0.0 3.36 21 21 A 24 ARG HA A 25 ARG H 1.0 0.0 3.33 22 22 A 2 CYS H A 2 CYS HBy 1.0 0.0 3.83 23 23 A 2 CYS H A 2 CYS HBx 1.0 0.0 3.83 24 24 A 2 CYS H A 1 ASP HA 1.0 0.0 2.74 25 25 A 32 ASP HA A 33 LEU H 1.0 0.0 3.36 26 26 A 32 ASP H A 32 ASP HBx 1.0 0.0 3.21 27 27 A 32 ASP H A 32 ASP HBy 1.0 0.0 3.21 28 28 A 32 ASP H A 31 TYR HA 1.0 0.0 2.62 29 29 A 31 TYR H A 31 TYR HBx 1.0 0.0 3.02 30 30 A 31 TYR H A 31 TYR HBy 1.0 0.0 3.02 31 31 A 31 TYR H A 30 LYS HA 1.0 0.0 2.77 32 32 A 30 LYS H A 30 LYS HBx 1.0 0.0 3.36 33 33 A 30 LYS H A 30 LYS HBy 1.0 0.0 3.70 34 34 A 30 LYS H A 29 CYS HA 1.0 0.0 2.68 35 35 A 29 CYS HA A 29 CYS H 1.0 0.0 2.77 36 36 A 29 CYS H A 28 TRP HA 1.0 0.0 2.62 37 37 A 29 CYS H A 29 CYS HBx 1.0 0.0 3.30 38 38 A 27 ARG HA A 28 TRP H 1.0 0.0 3.33 39 39 A 27 ARG HA A 27 ARG H 1.0 0.0 2.62 40 40 A 27 ARG H A 27 ARG HBy 1.0 0.0 3.90 41 41 A 7 LYS H A 7 LYS HBx 1.0 0.0 3.14 42 42 A 25 ARG H A 25 ARG HBx 1.0 0.0 2.96 43 43 A 25 ARG H A 25 ARG HBy 1.0 0.0 2.96 44 44 A 4 GLY H A 3 LEU HBy 1.0 0.0 3.86 45 45 A 13 ASN H A 13 ASN HBx 1.0 0.0 3.21 46 46 A 13 ASN H A 13 ASN HBy 1.0 0.0 3.21 47 47 A 13 ASN HA A 14 ASP H 1.0 0.0 2.68 48 48 A 14 ASP H A 14 ASP HBx 1.0 0.0 2.80 49 49 A 14 ASP H A 14 ASP HBy 1.0 0.0 2.80 50 50 A 14 ASP HA A 15 LYS H 1.0 0.0 2.65 51 51 A 15 LYS H A 15 LYS HBx 1.0 0.0 3.61 52 52 A 15 LYS H A 15 LYS HBy 1.0 0.0 3.61 53 53 A 15 LYS HA A 16 CYS H 1.0 0.0 3.42 54 54 A 16 CYS HA A 17 CYS H 1.0 0.0 2.56 55 55 A 17 CYS H A 17 CYS HBy 1.0 0.0 3.39 56 56 A 19 ASN H A 18 LYS HA 1.0 0.0 2.40 57 57 A 13 ASN H A 12 LYS HA 1.0 0.0 3.45 58 58 A 12 LYS H A 12 LYS HBy 1.0 0.0 3.27 59 59 A 8 SER H A 8 SER HBx 1.0 0.0 2.99 60 60 A 8 SER H A 8 SER HBy 1.0 0.0 3.35 61 61 A 8 SER H A 7 LYS HA 1.0 0.0 2.46 62 62 A 6 PHE H A 6 PHE HA 1.0 0.0 2.68 63 63 A 7 LYS H A 6 PHE HA 1.0 0.0 3.39 64 64 A 6 PHE H A 6 PHE HBx 1.0 0.0 4.07 65 65 A 6 PHE H A 6 PHE HBy 1.0 0.0 4.07 66 66 A 6 PHE H A 5 TRP HA 1.0 0.0 2.59 67 67 A 4 GLY H A 3 LEU HA 1.0 0.0 2.52 68 68 A 3 LEU H A 3 LEU HBx 1.0 0.0 3.42 69 69 A 3 LEU H A 3 LEU HBy 1.0 0.0 3.42 70 70 A 9 CYS H A 9 CYS HA 1.0 0.0 2.77 71 71 A 9 CYS H A 9 CYS HBx 1.0 0.0 3.70 72 72 A 9 CYS H A 9 CYS HBy 1.0 0.0 3.70 73 73 A 26 ASP H A 26 ASP HBx 1.0 0.0 3.67 74 74 A 26 ASP H A 26 ASP HBy 1.0 0.0 3.67 75 75 A 9 CYS H A 8 SER HA 1.0 0.0 2.56 76 76 A 12 LYS H A 12 LYS HBx 1.0 0.0 3.27 77 77 A 17 CYS H A 17 CYS HBx 1.0 0.0 3.39 78 78 A 18 LYS H A 18 LYS HBx 1.0 0.0 2.90 79 79 A 18 LYS H A 18 LYS HBy 1.0 0.0 2.90 80 80 A 27 ARG H A 27 ARG HBx 1.0 0.0 3.61 81 81 A 5 TRP H A 5 TRP HBy 1.0 0.0 2.87 82 82 A 5 TRP H A 5 TRP HBx 1.0 0.0 3.20 83 83 A 18 LYS H A 17 CYS HBx 1.0 0.0 3.48 84 84 A 28 TRP HA A 28 TRP HBx 1.0 0.0 2.90 85 85 A 28 TRP HA A 28 TRP HBy 1.0 0.0 2.90 86 86 A 7 LYS H A 6 PHE HBx 1.0 0.0 4.32 87 87 A 7 LYS H A 6 PHE HBy 1.0 0.0 4.32 88 88 A 25 ARG H A 26 ASP H 1.0 0.0 3.02 89 89 A 7 LYS H A 7 LYS HBy 1.0 0.0 3.50 90 90 A 21 THR HB A 22 CYS H 1.0 0.0 3.61 91 91 A 21 THR H A 20 TYR HBx 1.0 0.0 3.64 92 92 A 15 LYS H A 14 ASP HBx 1.0 0.0 4.01 93 93 A 23 SER H A 22 CYS HBx 1.0 0.0 3.95 94 94 A 2 CYS H A 1 ASP HBy 1.0 0.0 3.76 95 95 A 2 CYS H A 1 ASP HBx 1.0 0.0 3.76 96 96 A 10 ASP H A 9 CYS HBx 1.0 0.0 3.30 97 97 A 15 LYS H A 14 ASP HBy 1.0 0.0 4.01 98 98 A 23 SER H A 22 CYS HBy 1.0 0.0 3.95 99 99 A 19 ASN H A 18 LYS HBy 1.0 0.0 3.89 100 100 A 19 ASN H A 18 LYS HBx 1.0 0.0 3.89 101 101 A 8 SER H A 7 LYS HBx 1.0 0.0 3.58 102 102 A 28 TRP H A 26 ASP HBy 1.0 0.0 4.01 103 103 A 28 TRP H A 26 ASP HBx 1.0 0.0 4.01 104 104 A 26 ASP H A 25 ARG HBy 1.0 0.0 3.58 105 105 A 13 ASN H A 12 LYS HBy 1.0 0.0 3.89 106 106 A 26 ASP H A 25 ARG HBx 1.0 0.0 3.58 107 107 A 31 TYR H A 30 LYS HBy 1.0 0.0 3.70 108 108 A 31 TYR H A 30 LYS HBx 1.0 0.0 3.70 109 109 A 26 ASP H A 23 SER HBx 1.0 0.0 4.07 110 110 A 28 TRP HA A 9 CYS H 1.0 0.0 3.05 111 111 A 33 LEU H A 32 ASP H 1.0 0.0 3.39 112 112 A 28 TRP H A 27 ARG H 1.0 0.0 3.24 113 113 A 27 ARG H A 26 ASP H 1.0 0.0 2.90 114 114 A 13 ASN H A 12 LYS H 1.0 0.0 2.77 115 115 A 13 ASN H A 14 ASP H 1.0 0.0 3.36 116 116 A 24 ARG H A 25 ARG H 1.0 0.0 3.14 117 117 A 15 LYS H A 16 CYS H 1.0 0.0 3.08 118 118 A 7 LYS H A 6 PHE H 1.0 0.0 3.27 119 119 A 17 CYS H A 3 LEU H 1.0 0.0 3.42 120 120 A 21 THR H A 30 LYS H 1.0 0.0 3.24 121 121 A 20 TYR H A 19 ASN H 1.0 0.0 3.33 122 122 A 6 PHE H A 5 TRP H 1.0 0.0 4.26 123 123 A 7 LYS H A 8 SER H 1.0 0.0 4.25 124 124 A 10 ASP H A 9 CYS HA 1.0 0.0 3.08 125 125 A 10 ASP H A 9 CYS H 1.0 0.0 4.82 126 126 A 10 ASP H A 9 CYS HBy 1.0 0.0 3.30 127 127 A 13 ASN H A 12 LYS HBx 1.0 0.0 3.89 128 128 A 18 LYS H A 17 CYS HBy 1.0 0.0 3.48 129 129 A 21 THR H A 20 TYR HBy 1.0 0.0 3.64 130 130 A 23 SER H A 22 CYS H 1.0 0.0 4.66 131 131 A 23 SER H A 29 CYS HA 1.0 0.0 3.67 132 132 A 26 ASP H A 23 SER HBy 1.0 0.0 4.07 133 133 A 27 ARG H A 26 ASP HA 1.0 0.0 3.45 134 134 A 29 CYS H A 29 CYS HBy 1.0 0.0 3.30 135 135 A 30 LYS H A 29 CYS H 1.0 0.0 4.45 136 136 A 18 LYS H A 17 CYS H 1.0 0.0 4.35 137 137 A 22 CYS HA A 30 LYS H 1.0 0.0 3.67 138 138 A 31 TYR H A 30 LYS H 1.0 0.0 4.66 139 139 A 32 ASP H A 31 TYR H 1.0 0.0 4.38 140 140 A 20 TYR HA A 31 TYR HA 1.0 0.0 3.14 141 141 A 4 GLY H A 5 TRP H 1.0 0.0 4.45 142 142 A 21 THR H A 32 ASP H 1.0 0.0 4.32 143 143 A 21 THR H A 20 TYR H 1.0 0.0 4.69 144 144 A 19 ASN H A 18 LYS H 1.0 0.0 4.29 145 145 A 14 ASP H A 15 LYS H 1.0 0.0 4.48 146 146 A 8 SER H A 9 CYS H 1.0 0.0 4.63 147 147 A 25 ARG H A 27 ARG H 1.0 0.0 4.38 148 148 A 23 SER H A 24 ARG H 1.0 0.0 4.60 149 149 A 16 CYS H A 15 LYS HBx 1.0 0.0 4.54 150 150 A 16 CYS H A 15 LYS HBy 1.0 0.0 4.54 151 151 A 28 TRP HA A 27 ARG HA 1.0 0.0 4.54 152 152 A 13 ASN H A 10 ASP HA 1.0 0.0 4.42 153 153 A 3 LEU H A 2 CYS HBy 1.0 0.0 3.36 154 154 A 3 LEU H A 2 CYS HBx 1.0 0.0 3.36 155 155 A 3 LEU H A 2 CYS HA 1.0 0.0 2.56 156 156 A 4 GLY H A 3 LEU HBx 1.0 0.0 3.86 157 157 A 6 PHE H A 5 TRP HBx 1.0 0.0 4.32 158 158 A 6 PHE H A 5 TRP HBy 1.0 0.0 4.32 159 159 A 8 SER H A 7 LYS HBy 1.0 0.0 3.58 160 160 A 16 CYS H A 17 CYS H 1.0 0.0 4.51 161 161 A 13 ASN H A 11 PRO HA 1.0 0.0 4.04 162 162 A 2 CYS HA A 2 CYS HBx 1.0 0.0 2.93 163 163 A 2 CYS HA A 2 CYS HBy 1.0 0.0 2.93 164 164 A 12 LYS H A 10 ASP HA 1.0 0.0 4.23 165 165 A 10 ASP H A 14 ASP HA 1.0 0.0 4.14 166 166 A 20 TYR HA A 32 ASP H 1.0 0.0 3.08 167 167 A 27 ARG H A 27 ARG HGy 1.0 0.0 4.04 168 168 A 27 ARG H A 27 ARG HGx 1.0 0.0 4.04 169 169 A 7 LYS H A 7 LYS HGy 1.0 0.0 3.45 170 170 A 6 PHE HA A 5 TRP HD1 1.0 0.0 5.13 171 171 A 3 LEU H A 3 LEU HG 1.0 0.0 2.99 172 172 A 10 ASP HA A 11 PRO HDx 1.0 0.0 3.05 173 173 A 10 ASP HA A 11 PRO HDy 1.0 0.0 3.05 174 174 A 5 TRP HA A 20 TYR HD% 1.0 0.0 7.35 175 175 A 6 PHE HA A 6 PHE HD% 1.0 0.0 6.70 176 176 A 7 LYS HA A 7 LYS HDx 1.0 0.0 3.86 177 177 A 7 LYS HA A 7 LYS HDy 1.0 0.0 3.86 178 178 A 28 TRP HE1 A 26 ASP HBy 1.0 0.0 5.50 179 179 A 5 TRP HE1 A 31 TYR HBy 1.0 0.0 5.50 180 180 A 5 TRP HE1 A 30 LYS HBx 1.0 0.0 5.50 181 181 A 28 TRP HE1 A 26 ASP HBx 1.0 0.0 5.50 182 182 A 27 ARG HE A 27 ARG HBy 1.0 0.0 5.16 183 183 A 31 TYR HA A 31 TYR HE% 1.0 0.0 5.84 184 184 A 31 TYR HA A 31 TYR HD% 1.0 0.0 7.16 185 185 A 31 TYR HA A 20 TYR HE% 1.0 0.0 7.63 186 186 A 30 LYS HA A 20 TYR HD% 1.0 0.0 7.60 187 187 A 30 LYS HA A 28 TRP HD1 1.0 0.0 5.10 188 188 A 30 LYS HA A 5 TRP HD1 1.0 0.0 3.73 189 189 A 20 TYR HA A 20 TYR HD% 1.0 0.0 6.85 190 190 A 32 ASP H A 31 TYR HE% 1.0 0.0 7.11 191 191 A 20 TYR H A 20 TYR HD% 1.0 0.0 6.45 192 192 A 5 TRP H A 20 TYR HE% 1.0 0.0 7.54 193 193 A 5 TRP HD1 A 20 TYR HE% 1.0 0.0 7.04 194 194 A 5 TRP HD1 A 20 TYR HD% 1.0 0.0 7.63 195 195 A 6 PHE HZ A 28 TRP HZ2 1.0 0.0 5.31 196 196 A 31 TYR H A 20 TYR HD% 1.0 0.0 7.63 197 197 A 6 PHE H A 5 TRP HD1 1.0 0.0 3.70 198 198 A 21 THR H A 20 TYR HD% 1.0 0.0 7.63 199 199 A 17 CYS H A 20 TYR HD% 1.0 0.0 7.63 200 200 A 31 TYR H A 5 TRP HE1 1.0 0.0 4.32 201 201 A 28 TRP HE1 A 6 PHE HZ 1.0 0.0 5.07 202 202 A 3 LEU HA A 3 LEU HG 1.0 0.0 4.20 203 203 A 7 LYS H A 7 LYS HGx 1.0 0.0 3.45 204 204 A 27 ARG HE A 27 ARG HBx 1.0 0.0 5.16 205 205 A 28 TRP HA A 28 TRP HD1 1.0 0.0 5.00 206 206 A 30 LYS HA A 5 TRP HE1 1.0 0.0 4.51 207 207 A 6 PHE HD% A 5 TRP HE1 1.0 0.0 7.63 208 208 A 5 TRP HE1 A 31 TYR HBx 1.0 0.0 5.50 209 209 A 6 PHE H A 28 TRP HD1 1.0 0.0 5.50 210 210 A 30 LYS H A 20 TYR HD% 1.0 0.0 7.63 211 211 A 6 PHE H A 6 PHE HD% 1.0 0.0 7.63 212 212 A 6 PHE HD% A 28 TRP HZ2 1.0 0.0 7.63 213 213 A 5 TRP HD1 A 6 PHE HD% 1.0 0.0 7.63 214 214 A 31 TYR H A 20 TYR HE% 1.0 0.0 7.63 215 215 A 28 TRP H A 6 PHE HD% 1.0 0.0 7.63 216 216 A 31 TYR H A 5 TRP HD1 1.0 0.0 5.50 217 217 A 5 TRP H A 5 TRP HD1 1.0 0.0 5.50 218 218 A 6 PHE H A 20 TYR HD% 1.0 0.0 7.63 219 219 A 19 ASN H A 20 TYR HD% 1.0 0.0 7.63 220 220 A 18 LYS H A 20 TYR HD% 1.0 0.0 7.63 221 221 A 20 TYR H A 20 TYR HE% 1.0 0.0 7.63 222 222 A 6 PHE H A 20 TYR HE% 1.0 0.0 7.63 223 223 A 6 PHE H A 5 TRP HE3 1.0 0.0 5.50 224 224 A 5 TRP HE1 A 20 TYR HE% 1.0 0.0 7.63 225 225 A 6 PHE HA A 5 TRP HE1 1.0 0.0 5.50 226 226 A 5 TRP HE1 A 30 LYS HBy 1.0 0.0 5.50 227 227 A 8 SER H A 7 LYS HGy 1.0 0.0 5.50 228 228 A 6 PHE HD% A 5 TRP HBx 1.0 0.0 7.63 229 229 A 6 PHE HD% A 5 TRP HBy 1.0 0.0 7.63 230 230 A 31 TYR HA A 20 TYR HD% 1.0 0.0 6.45 231 231 A 20 TYR HA A 31 TYR HE% 1.0 0.0 7.63 232 232 A 30 LYS HA A 20 TYR HE% 1.0 0.0 7.63 233 233 A 5 TRP HA A 20 TYR HE% 1.0 0.0 6.92 234 234 A 8 SER H A 7 LYS HGx 1.0 0.0 5.50 235 235 A 32 ASP H A 20 TYR HD% 1.0 0.0 7.63 236 236 A 16 CYS HA A 3 LEU HG 1.0 0.0 5.28 237 237 A 17 CYS HA A 2 CYS HBy 1.0 0.0 3.45 238 238 A 17 CYS HA A 2 CYS HBx 1.0 0.0 3.45 239 239 A 21 THR H A 21 THR HG2% 1.0 0.0 4.94 240 240 A 3 LEU H A 3 LEU HDx% 1.0 0.0 5.46 241 241 A 3 LEU H A 3 LEU HDy% 1.0 0.0 5.46 242 242 A 33 LEU H A 33 LEU HDx% 1.0 0.0 6.52 243 243 A 22 CYS H A 21 THR HG2% 1.0 0.0 5.06 244 244 A 33 LEU H A 33 LEU HDy% 1.0 0.0 6.52 245 245 A 30 LYS H A 21 THR HG2% 1.0 0.0 6.52 246 246 A 32 ASP H A 21 THR HG2% 1.0 0.0 6.52 247 247 A 15 LYS HA A 3 LEU HDx% 1.0 0.0 6.52 248 248 A 15 LYS HA A 3 LEU HDy% 1.0 0.0 6.52 249 249 A 21 THR HG2% A 32 ASP HBy 1.0 0.0 6.43 250 250 A 21 THR HG2% A 32 ASP HBx 1.0 0.0 6.43 251 251 A 23 SER HA A 21 THR HG2% 1.0 0.0 6.24 252 252 A 2 CYS H A 1 ASP HBx 1.0 0.0 3.29 253 252 A 2 CYS H A 1 ASP HBy 1.0 0.0 3.29 254 253 A 2 CYS H A 2 CYS HBx 1.0 0.0 3.14 255 253 A 2 CYS H A 2 CYS HBy 1.0 0.0 3.14 256 254 A 2 CYS HA A 2 CYS HBx 1.0 0.0 2.55 257 254 A 2 CYS HA A 2 CYS HBy 1.0 0.0 2.55 258 255 A 3 LEU H A 2 CYS HBx 1.0 0.0 2.71 259 255 A 3 LEU H A 2 CYS HBy 1.0 0.0 2.71 260 256 A 3 LEU HG A 2 CYS HBx 1.0 0.0 3.44 261 256 A 3 LEU HG A 2 CYS HBy 1.0 0.0 3.44 262 257 A 17 CYS H A 2 CYS HBx 1.0 0.0 5.23 263 257 A 17 CYS H A 2 CYS HBy 1.0 0.0 5.23 264 258 A 17 CYS HA A 2 CYS HBx 1.0 0.0 3.00 265 258 A 17 CYS HA A 2 CYS HBy 1.0 0.0 3.00 266 259 A 3 LEU H A 3 LEU HBy 1.0 0.0 2.77 267 259 A 3 LEU H A 3 LEU HBx 1.0 0.0 2.77 268 260 A 3 LEU HA A 3 LEU HDy% 1.0 0.0 3.88 269 260 A 3 LEU HA A 3 LEU HDx% 1.0 0.0 3.88 270 261 A 3 LEU HA A 7 LYS HGy 1.0 0.0 5.05 271 261 A 3 LEU HA A 7 LYS HGx 1.0 0.0 5.05 272 262 A 4 GLY H A 3 LEU HBy 1.0 0.0 3.31 273 262 A 4 GLY H A 3 LEU HBx 1.0 0.0 3.31 274 263 A 3 LEU HBy A 7 LYS HBy 1.0 0.0 3.50 275 263 A 3 LEU HBx A 7 LYS HBy 1.0 0.0 3.50 276 263 A 7 LYS HBx A 3 LEU HBy 1.0 0.0 3.50 277 263 A 3 LEU HBx A 7 LYS HBx 1.0 0.0 3.50 278 264 A 3 LEU HBy A 15 LYS HBy 1.0 0.0 4.97 279 264 A 3 LEU HBx A 15 LYS HBy 1.0 0.0 4.97 280 264 A 15 LYS HBx A 3 LEU HBy 1.0 0.0 4.97 281 264 A 3 LEU HBx A 15 LYS HBx 1.0 0.0 4.97 282 265 A 16 CYS HA A 3 LEU HBy 1.0 0.0 3.15 283 265 A 16 CYS HA A 3 LEU HBx 1.0 0.0 3.15 284 266 A 17 CYS H A 3 LEU HBy 1.0 0.0 4.07 285 266 A 17 CYS H A 3 LEU HBx 1.0 0.0 4.07 286 267 A 3 LEU HG A 15 LYS HBy 1.0 0.0 4.00 287 267 A 3 LEU HG A 15 LYS HBx 1.0 0.0 4.00 288 268 A 4 GLY H A 3 LEU HDy% 1.0 0.0 5.38 289 268 A 4 GLY H A 3 LEU HDx% 1.0 0.0 5.38 290 269 A 3 LEU HDx% A 7 LYS HBy 1.0 0.0 4.31 291 269 A 3 LEU HDy% A 7 LYS HBy 1.0 0.0 4.31 292 269 A 7 LYS HBx A 3 LEU HDy% 1.0 0.0 4.31 293 269 A 3 LEU HDx% A 7 LYS HBx 1.0 0.0 4.31 294 270 A 3 LEU HDy% A 7 LYS HEx 1.0 0.0 5.88 295 270 A 3 LEU HDx% A 7 LYS HEx 1.0 0.0 5.88 296 270 A 7 LYS HEy A 3 LEU HDy% 1.0 0.0 5.88 297 270 A 3 LEU HDx% A 7 LYS HEy 1.0 0.0 5.88 298 271 A 9 CYS H A 3 LEU HDy% 1.0 0.0 6.42 299 271 A 9 CYS H A 3 LEU HDx% 1.0 0.0 6.42 300 272 A 9 CYS HA A 3 LEU HDy% 1.0 0.0 4.77 301 272 A 9 CYS HA A 3 LEU HDx% 1.0 0.0 4.77 302 273 A 3 LEU HDx% A 9 CYS HBx 1.0 0.0 4.17 303 273 A 3 LEU HDy% A 9 CYS HBx 1.0 0.0 4.17 304 273 A 9 CYS HBy A 3 LEU HDy% 1.0 0.0 4.17 305 273 A 3 LEU HDx% A 9 CYS HBy 1.0 0.0 4.17 306 274 A 10 ASP H A 3 LEU HDy% 1.0 0.0 6.24 307 274 A 10 ASP H A 3 LEU HDx% 1.0 0.0 6.24 308 275 A 3 LEU HDy% A 14 ASP HBy 1.0 0.0 5.80 309 275 A 14 ASP HBx A 3 LEU HDy% 1.0 0.0 5.80 310 275 A 3 LEU HDx% A 14 ASP HBx 1.0 0.0 5.80 311 275 A 3 LEU HDx% A 14 ASP HBy 1.0 0.0 5.80 312 276 A 15 LYS H A 3 LEU HDy% 1.0 0.0 5.73 313 276 A 15 LYS H A 3 LEU HDx% 1.0 0.0 5.73 314 277 A 3 LEU HDx% A 15 LYS HBy 1.0 0.0 4.05 315 277 A 3 LEU HDy% A 15 LYS HBy 1.0 0.0 4.05 316 277 A 15 LYS HBx A 3 LEU HDy% 1.0 0.0 4.05 317 277 A 3 LEU HDx% A 15 LYS HBx 1.0 0.0 4.05 318 278 A 3 LEU HDy% A 15 LYS HGx 1.0 0.0 4.47 319 278 A 3 LEU HDx% A 15 LYS HGx 1.0 0.0 4.47 320 278 A 15 LYS HGy A 3 LEU HDy% 1.0 0.0 4.47 321 278 A 3 LEU HDx% A 15 LYS HGy 1.0 0.0 4.47 322 279 A 3 LEU HDy% A 15 LYS HDx 1.0 0.0 4.57 323 279 A 3 LEU HDx% A 15 LYS HDx 1.0 0.0 4.57 324 279 A 15 LYS HDy A 3 LEU HDy% 1.0 0.0 4.57 325 279 A 3 LEU HDx% A 15 LYS HDy 1.0 0.0 4.57 326 280 A 16 CYS H A 3 LEU HDy% 1.0 0.0 6.42 327 280 A 16 CYS H A 3 LEU HDx% 1.0 0.0 6.42 328 281 A 16 CYS HA A 3 LEU HDy% 1.0 0.0 5.85 329 281 A 16 CYS HA A 3 LEU HDx% 1.0 0.0 5.85 330 282 A 17 CYS H A 3 LEU HDy% 1.0 0.0 6.42 331 282 A 17 CYS H A 3 LEU HDx% 1.0 0.0 6.42 332 283 A 4 GLY H A 4 GLY HAy 1.0 0.0 2.58 333 283 A 4 GLY H A 4 GLY HAx 1.0 0.0 2.58 334 284 A 4 GLY H A 7 LYS HGy 1.0 0.0 3.56 335 284 A 4 GLY H A 7 LYS HGx 1.0 0.0 3.56 336 285 A 5 TRP HA A 4 GLY HAy 1.0 0.0 3.94 337 285 A 5 TRP HA A 4 GLY HAx 1.0 0.0 3.94 338 286 A 4 GLY HAy A 5 TRP HBy 1.0 0.0 4.23 339 286 A 4 GLY HAx A 5 TRP HBy 1.0 0.0 4.23 340 286 A 5 TRP HBx A 4 GLY HAy 1.0 0.0 4.23 341 286 A 4 GLY HAx A 5 TRP HBx 1.0 0.0 4.23 342 287 A 5 TRP HZ3 A 4 GLY HAy 1.0 0.0 5.40 343 287 A 4 GLY HAx A 5 TRP HZ3 1.0 0.0 5.40 344 288 A 20 TYR HD% A 4 GLY HAy 1.0 0.0 7.31 345 288 A 20 TYR HD% A 4 GLY HAx 1.0 0.0 7.31 346 289 A 5 TRP H A 5 TRP HBy 1.0 0.0 2.44 347 289 A 5 TRP H A 5 TRP HBx 1.0 0.0 2.44 348 290 A 5 TRP HA A 20 TYR HBy 1.0 0.0 4.62 349 290 A 5 TRP HA A 20 TYR HBx 1.0 0.0 4.62 350 291 A 5 TRP HA A 29 CYS HBx 1.0 0.0 5.11 351 291 A 5 TRP HA A 29 CYS HBy 1.0 0.0 5.11 352 292 A 5 TRP HE3 A 5 TRP HBy 1.0 0.0 3.57 353 292 A 5 TRP HE3 A 5 TRP HBx 1.0 0.0 3.57 354 293 A 6 PHE H A 5 TRP HBy 1.0 0.0 3.79 355 293 A 6 PHE H A 5 TRP HBx 1.0 0.0 3.79 356 294 A 5 TRP HBy A 20 TYR HBy 1.0 0.0 3.64 357 294 A 5 TRP HBx A 20 TYR HBy 1.0 0.0 3.64 358 294 A 20 TYR HBx A 5 TRP HBy 1.0 0.0 3.64 359 294 A 5 TRP HBx A 20 TYR HBx 1.0 0.0 3.64 360 295 A 20 TYR HD% A 5 TRP HBy 1.0 0.0 6.60 361 295 A 20 TYR HD% A 5 TRP HBx 1.0 0.0 6.60 362 296 A 20 TYR HE% A 5 TRP HBy 1.0 0.0 5.97 363 296 A 20 TYR HE% A 5 TRP HBx 1.0 0.0 5.97 364 297 A 5 TRP HD1 A 6 PHE HBx 1.0 0.0 5.17 365 297 A 5 TRP HD1 A 6 PHE HBy 1.0 0.0 5.17 366 298 A 5 TRP HD1 A 20 TYR HBy 1.0 0.0 5.34 367 298 A 5 TRP HD1 A 20 TYR HBx 1.0 0.0 5.34 368 299 A 5 TRP HE1 A 30 LYS HGx 1.0 0.0 4.82 369 299 A 5 TRP HE1 A 30 LYS HGy 1.0 0.0 4.82 370 300 A 5 TRP HE1 A 30 LYS HDx 1.0 0.0 5.34 371 300 A 5 TRP HE1 A 30 LYS HDy 1.0 0.0 5.34 372 301 A 5 TRP HE1 A 31 TYR HBy 1.0 0.0 4.70 373 301 A 5 TRP HE1 A 31 TYR HBx 1.0 0.0 4.70 374 302 A 6 PHE H A 29 CYS HBx 1.0 0.0 5.00 375 302 A 6 PHE H A 29 CYS HBy 1.0 0.0 5.00 376 303 A 6 PHE HA A 28 TRP HBy 1.0 0.0 3.60 377 303 A 6 PHE HA A 28 TRP HBx 1.0 0.0 3.60 378 304 A 7 LYS H A 7 LYS HBy 1.0 0.0 2.62 379 304 A 7 LYS H A 7 LYS HBx 1.0 0.0 2.62 380 305 A 7 LYS H A 7 LYS HGy 1.0 0.0 2.99 381 305 A 7 LYS H A 7 LYS HGx 1.0 0.0 2.99 382 306 A 7 LYS H A 7 LYS HDy 1.0 0.0 3.85 383 306 A 7 LYS H A 7 LYS HDx 1.0 0.0 3.85 384 307 A 7 LYS H A 29 CYS HBx 1.0 0.0 4.91 385 307 A 7 LYS H A 29 CYS HBy 1.0 0.0 4.91 386 308 A 7 LYS HBx A 7 LYS HEx 1.0 0.0 3.64 387 308 A 7 LYS HBy A 7 LYS HEx 1.0 0.0 3.64 388 308 A 7 LYS HEy A 7 LYS HBy 1.0 0.0 3.64 389 308 A 7 LYS HBx A 7 LYS HEy 1.0 0.0 3.64 390 309 A 8 SER H A 7 LYS HBy 1.0 0.0 2.93 391 309 A 8 SER H A 7 LYS HBx 1.0 0.0 2.93 392 310 A 8 SER H A 7 LYS HDy 1.0 0.0 4.53 393 310 A 8 SER H A 7 LYS HDx 1.0 0.0 4.53 394 311 A 8 SER H A 8 SER HBy 1.0 0.0 2.59 395 311 A 8 SER H A 8 SER HBx 1.0 0.0 2.59 396 312 A 9 CYS H A 8 SER HBy 1.0 0.0 3.47 397 312 A 9 CYS H A 8 SER HBx 1.0 0.0 3.47 398 313 A 28 TRP HA A 8 SER HBy 1.0 0.0 5.34 399 313 A 28 TRP HA A 8 SER HBx 1.0 0.0 5.34 400 314 A 9 CYS H A 9 CYS HBx 1.0 0.0 3.24 401 314 A 9 CYS H A 9 CYS HBy 1.0 0.0 3.24 402 315 A 9 CYS H A 28 TRP HBy 1.0 0.0 5.08 403 315 A 9 CYS H A 28 TRP HBx 1.0 0.0 5.08 404 316 A 10 ASP H A 9 CYS HBx 1.0 0.0 2.76 405 316 A 10 ASP H A 9 CYS HBy 1.0 0.0 2.76 406 317 A 16 CYS H A 9 CYS HBx 1.0 0.0 4.91 407 317 A 16 CYS H A 9 CYS HBy 1.0 0.0 4.91 408 318 A 28 TRP HA A 9 CYS HBx 1.0 0.0 5.34 409 318 A 28 TRP HA A 9 CYS HBy 1.0 0.0 5.34 410 319 A 10 ASP HA A 11 PRO HDx 1.0 0.0 2.66 411 319 A 10 ASP HA A 11 PRO HDy 1.0 0.0 2.66 412 320 A 12 LYS H A 10 ASP HBy 1.0 0.0 4.06 413 320 A 12 LYS H A 10 ASP HBx 1.0 0.0 4.06 414 321 A 13 ASN H A 10 ASP HBy 1.0 0.0 3.38 415 321 A 13 ASN H A 10 ASP HBx 1.0 0.0 3.38 416 322 A 11 PRO HA A 22 CYS HBx 1.0 0.0 3.02 417 322 A 11 PRO HA A 22 CYS HBy 1.0 0.0 3.02 418 323 A 12 LYS H A 11 PRO HBx 1.0 0.0 3.37 419 323 A 12 LYS H A 11 PRO HBy 1.0 0.0 3.37 420 324 A 24 ARG HA A 11 PRO HBx 1.0 0.0 4.38 421 324 A 24 ARG HA A 11 PRO HBy 1.0 0.0 4.38 422 325 A 12 LYS H A 11 PRO HGx 1.0 0.0 3.32 423 325 A 12 LYS H A 11 PRO HGy 1.0 0.0 3.32 424 326 A 11 PRO HGy A 24 ARG HDx 1.0 0.0 4.37 425 326 A 11 PRO HGx A 24 ARG HDx 1.0 0.0 4.37 426 326 A 24 ARG HDy A 11 PRO HGx 1.0 0.0 4.37 427 326 A 11 PRO HGy A 24 ARG HDy 1.0 0.0 4.37 428 327 A 12 LYS H A 11 PRO HDx 1.0 0.0 3.82 429 327 A 12 LYS H A 11 PRO HDy 1.0 0.0 3.82 430 328 A 12 LYS H A 12 LYS HBy 1.0 0.0 2.67 431 328 A 12 LYS H A 12 LYS HBx 1.0 0.0 2.67 432 329 A 12 LYS H A 12 LYS HGx 1.0 0.0 4.70 433 329 A 12 LYS H A 12 LYS HGy 1.0 0.0 4.70 434 330 A 12 LYS H A 12 LYS HDx 1.0 0.0 3.76 435 330 A 12 LYS H A 12 LYS HDy 1.0 0.0 3.76 436 331 A 12 LYS HA A 12 LYS HDx 1.0 0.0 4.12 437 331 A 12 LYS HA A 12 LYS HDy 1.0 0.0 4.12 438 332 A 12 LYS HBx A 12 LYS HDx 1.0 0.0 3.19 439 332 A 12 LYS HBy A 12 LYS HDx 1.0 0.0 3.19 440 332 A 12 LYS HDy A 12 LYS HBy 1.0 0.0 3.19 441 332 A 12 LYS HBx A 12 LYS HDy 1.0 0.0 3.19 442 333 A 13 ASN H A 12 LYS HBy 1.0 0.0 3.34 443 333 A 13 ASN H A 12 LYS HBx 1.0 0.0 3.34 444 334 A 13 ASN H A 13 ASN HBy 1.0 0.0 2.76 445 334 A 13 ASN H A 13 ASN HBx 1.0 0.0 2.76 446 335 A 13 ASN HBx A 13 ASN HD2y 1.0 0.0 2.87 447 335 A 13 ASN HD2x A 13 ASN HBy 1.0 0.0 2.87 448 335 A 13 ASN HBx A 13 ASN HD2x 1.0 0.0 2.87 449 335 A 13 ASN HBy A 13 ASN HD2y 1.0 0.0 2.87 450 336 A 14 ASP H A 13 ASN HBy 1.0 0.0 4.27 451 336 A 14 ASP H A 13 ASN HBx 1.0 0.0 4.27 452 337 A 15 LYS H A 14 ASP HBy 1.0 0.0 3.43 453 337 A 15 LYS H A 14 ASP HBx 1.0 0.0 3.43 454 338 A 15 LYS H A 15 LYS HBy 1.0 0.0 2.88 455 338 A 15 LYS H A 15 LYS HBx 1.0 0.0 2.88 456 339 A 15 LYS H A 15 LYS HGx 1.0 0.0 4.47 457 339 A 15 LYS H A 15 LYS HGy 1.0 0.0 4.47 458 340 A 15 LYS H A 15 LYS HDx 1.0 0.0 4.47 459 340 A 15 LYS H A 15 LYS HDy 1.0 0.0 4.47 460 341 A 15 LYS HA A 15 LYS HDx 1.0 0.0 4.59 461 341 A 15 LYS HA A 15 LYS HDy 1.0 0.0 4.59 462 342 A 16 CYS H A 15 LYS HBy 1.0 0.0 3.78 463 342 A 16 CYS H A 15 LYS HBx 1.0 0.0 3.78 464 343 A 16 CYS H A 16 CYS HBx 1.0 0.0 2.90 465 343 A 16 CYS H A 16 CYS HBy 1.0 0.0 2.90 466 344 A 17 CYS H A 16 CYS HBx 1.0 0.0 3.50 467 344 A 17 CYS H A 16 CYS HBy 1.0 0.0 3.50 468 345 A 16 CYS HBy A 20 TYR HBy 1.0 0.0 3.47 469 345 A 16 CYS HBx A 20 TYR HBy 1.0 0.0 3.47 470 345 A 20 TYR HBx A 16 CYS HBx 1.0 0.0 3.47 471 345 A 20 TYR HBx A 16 CYS HBy 1.0 0.0 3.47 472 346 A 17 CYS H A 17 CYS HBx 1.0 0.0 2.78 473 346 A 17 CYS H A 17 CYS HBy 1.0 0.0 2.78 474 347 A 18 LYS H A 17 CYS HBx 1.0 0.0 2.76 475 347 A 18 LYS H A 17 CYS HBy 1.0 0.0 2.76 476 348 A 20 TYR HD% A 17 CYS HBx 1.0 0.0 6.80 477 348 A 20 TYR HD% A 17 CYS HBy 1.0 0.0 6.80 478 349 A 18 LYS H A 18 LYS HBy 1.0 0.0 2.52 479 349 A 18 LYS H A 18 LYS HBx 1.0 0.0 2.52 480 350 A 18 LYS H A 18 LYS HDx 1.0 0.0 4.73 481 350 A 18 LYS H A 18 LYS HDy 1.0 0.0 4.73 482 351 A 18 LYS H A 18 LYS HEx 1.0 0.0 4.94 483 351 A 18 LYS H A 18 LYS HEy 1.0 0.0 4.94 484 352 A 18 LYS HA A 18 LYS HDx 1.0 0.0 3.62 485 352 A 18 LYS HA A 18 LYS HDy 1.0 0.0 3.62 486 353 A 19 ASN H A 18 LYS HBy 1.0 0.0 3.37 487 353 A 19 ASN H A 18 LYS HBx 1.0 0.0 3.37 488 354 A 20 TYR H A 18 LYS HBy 1.0 0.0 4.56 489 354 A 20 TYR H A 18 LYS HBx 1.0 0.0 4.56 490 355 A 19 ASN H A 18 LYS HDx 1.0 0.0 4.09 491 355 A 19 ASN H A 18 LYS HDy 1.0 0.0 4.09 492 356 A 19 ASN H A 19 ASN HBy 1.0 0.0 3.44 493 356 A 19 ASN H A 19 ASN HBx 1.0 0.0 3.44 494 357 A 19 ASN HBy A 19 ASN HD2y 1.0 0.0 2.99 495 357 A 19 ASN HBx A 19 ASN HD2y 1.0 0.0 2.99 496 357 A 19 ASN HD2x A 19 ASN HBy 1.0 0.0 2.99 497 357 A 19 ASN HBx A 19 ASN HD2x 1.0 0.0 2.99 498 358 A 20 TYR H A 19 ASN HBy 1.0 0.0 3.65 499 358 A 20 TYR H A 19 ASN HBx 1.0 0.0 3.65 500 359 A 31 TYR HE% A 19 ASN HBy 1.0 0.0 7.32 501 359 A 31 TYR HE% A 19 ASN HBx 1.0 0.0 7.32 502 360 A 20 TYR H A 20 TYR HBy 1.0 0.0 2.90 503 360 A 20 TYR H A 20 TYR HBx 1.0 0.0 2.90 504 361 A 21 THR H A 20 TYR HBy 1.0 0.0 2.92 505 361 A 21 THR H A 20 TYR HBx 1.0 0.0 2.92 506 362 A 20 TYR HD% A 31 TYR HBy 1.0 0.0 7.31 507 362 A 20 TYR HD% A 31 TYR HBx 1.0 0.0 7.31 508 363 A 20 TYR HE% A 31 TYR HBy 1.0 0.0 6.23 509 363 A 20 TYR HE% A 31 TYR HBx 1.0 0.0 6.23 510 364 A 21 THR H A 30 LYS HBy 1.0 0.0 5.34 511 364 A 21 THR H A 30 LYS HBx 1.0 0.0 5.34 512 365 A 21 THR HG2% A 32 ASP HBy 1.0 0.0 5.61 513 365 A 21 THR HG2% A 32 ASP HBx 1.0 0.0 5.61 514 366 A 23 SER H A 23 SER HBy 1.0 0.0 2.60 515 366 A 23 SER H A 23 SER HBx 1.0 0.0 2.60 516 367 A 23 SER HA A 23 SER HBy 1.0 0.0 2.63 517 367 A 23 SER HA A 23 SER HBx 1.0 0.0 2.63 518 368 A 24 ARG H A 23 SER HBy 1.0 0.0 3.91 519 368 A 24 ARG H A 23 SER HBx 1.0 0.0 3.91 520 369 A 26 ASP H A 23 SER HBy 1.0 0.0 3.32 521 369 A 26 ASP H A 23 SER HBx 1.0 0.0 3.32 522 370 A 23 SER HBx A 26 ASP HBy 1.0 0.0 3.93 523 370 A 23 SER HBy A 26 ASP HBy 1.0 0.0 3.93 524 370 A 26 ASP HBx A 23 SER HBy 1.0 0.0 3.93 525 370 A 23 SER HBx A 26 ASP HBx 1.0 0.0 3.93 526 371 A 28 TRP H A 23 SER HBy 1.0 0.0 3.52 527 371 A 28 TRP H A 23 SER HBx 1.0 0.0 3.52 528 372 A 28 TRP HD1 A 23 SER HBy 1.0 0.0 4.44 529 372 A 28 TRP HD1 A 23 SER HBx 1.0 0.0 4.44 530 373 A 23 SER HBx A 30 LYS HGx 1.0 0.0 4.06 531 373 A 23 SER HBy A 30 LYS HGx 1.0 0.0 4.06 532 373 A 30 LYS HGy A 23 SER HBy 1.0 0.0 4.06 533 373 A 30 LYS HGy A 23 SER HBx 1.0 0.0 4.06 534 374 A 23 SER HBy A 30 LYS HDx 1.0 0.0 3.81 535 374 A 23 SER HBx A 30 LYS HDx 1.0 0.0 3.81 536 374 A 30 LYS HDy A 23 SER HBy 1.0 0.0 3.81 537 374 A 30 LYS HDy A 23 SER HBx 1.0 0.0 3.81 538 375 A 24 ARG H A 24 ARG HBx 1.0 0.0 2.60 539 375 A 24 ARG H A 24 ARG HBy 1.0 0.0 2.60 540 376 A 24 ARG H A 24 ARG HGx 1.0 0.0 4.82 541 376 A 24 ARG H A 24 ARG HGy 1.0 0.0 4.82 542 377 A 24 ARG H A 24 ARG HDx 1.0 0.0 5.34 543 377 A 24 ARG H A 24 ARG HDy 1.0 0.0 5.34 544 378 A 24 ARG HA A 24 ARG HBx 1.0 0.0 2.56 545 378 A 24 ARG HA A 24 ARG HBy 1.0 0.0 2.56 546 379 A 24 ARG HA A 24 ARG HDx 1.0 0.0 4.91 547 379 A 24 ARG HA A 24 ARG HDy 1.0 0.0 4.91 548 380 A 24 ARG HBy A 24 ARG HGx 1.0 0.0 2.13 549 380 A 24 ARG HBx A 24 ARG HGx 1.0 0.0 2.13 550 380 A 24 ARG HGy A 24 ARG HBx 1.0 0.0 2.13 551 380 A 24 ARG HBy A 24 ARG HGy 1.0 0.0 2.13 552 381 A 24 ARG HBx A 24 ARG HDx 1.0 0.0 3.14 553 381 A 24 ARG HBy A 24 ARG HDx 1.0 0.0 3.14 554 381 A 24 ARG HDy A 24 ARG HBx 1.0 0.0 3.14 555 381 A 24 ARG HDy A 24 ARG HBy 1.0 0.0 3.14 556 382 A 25 ARG H A 24 ARG HBx 1.0 0.0 3.08 557 382 A 25 ARG H A 24 ARG HBy 1.0 0.0 3.08 558 383 A 24 ARG HDy A 27 ARG HBx 1.0 0.0 4.91 559 383 A 24 ARG HDx A 27 ARG HBx 1.0 0.0 4.91 560 383 A 27 ARG HBy A 24 ARG HDx 1.0 0.0 4.91 561 383 A 24 ARG HDy A 27 ARG HBy 1.0 0.0 4.91 562 384 A 24 ARG HDx A 27 ARG HGx 1.0 0.0 3.69 563 384 A 24 ARG HDy A 27 ARG HGx 1.0 0.0 3.69 564 384 A 27 ARG HGy A 24 ARG HDx 1.0 0.0 3.69 565 384 A 24 ARG HDy A 27 ARG HGy 1.0 0.0 3.69 566 385 A 25 ARG H A 25 ARG HGx 1.0 0.0 3.80 567 385 A 25 ARG H A 25 ARG HGy 1.0 0.0 3.80 568 386 A 25 ARG HA A 25 ARG HGx 1.0 0.0 3.72 569 386 A 25 ARG HGy A 25 ARG HA 1.0 0.0 3.72 570 387 A 26 ASP H A 25 ARG HBx 1.0 0.0 3.01 571 387 A 26 ASP H A 25 ARG HBy 1.0 0.0 3.01 572 388 A 26 ASP H A 26 ASP HBy 1.0 0.0 2.97 573 388 A 26 ASP H A 26 ASP HBx 1.0 0.0 2.97 574 389 A 28 TRP HD1 A 26 ASP HBy 1.0 0.0 5.02 575 389 A 28 TRP HD1 A 26 ASP HBx 1.0 0.0 5.02 576 390 A 28 TRP HE1 A 26 ASP HBy 1.0 0.0 4.68 577 390 A 28 TRP HE1 A 26 ASP HBx 1.0 0.0 4.68 578 391 A 28 TRP HZ2 A 26 ASP HBy 1.0 0.0 4.73 579 391 A 28 TRP HZ2 A 26 ASP HBx 1.0 0.0 4.73 580 392 A 27 ARG H A 27 ARG HGx 1.0 0.0 3.48 581 392 A 27 ARG H A 27 ARG HGy 1.0 0.0 3.48 582 393 A 27 ARG HA A 27 ARG HGx 1.0 0.0 3.69 583 393 A 27 ARG HA A 27 ARG HGy 1.0 0.0 3.69 584 394 A 27 ARG HE A 27 ARG HBx 1.0 0.0 4.32 585 394 A 27 ARG HE A 27 ARG HBy 1.0 0.0 4.32 586 395 A 28 TRP H A 27 ARG HBx 1.0 0.0 3.79 587 395 A 28 TRP H A 27 ARG HBy 1.0 0.0 3.79 588 396 A 28 TRP H A 28 TRP HBy 1.0 0.0 3.35 589 396 A 28 TRP H A 28 TRP HBx 1.0 0.0 3.35 590 397 A 28 TRP H A 30 LYS HGx 1.0 0.0 4.59 591 397 A 28 TRP H A 30 LYS HGy 1.0 0.0 4.59 592 398 A 28 TRP HA A 29 CYS HBx 1.0 0.0 4.32 593 398 A 28 TRP HA A 29 CYS HBy 1.0 0.0 4.32 594 399 A 29 CYS H A 28 TRP HBy 1.0 0.0 2.93 595 399 A 29 CYS H A 28 TRP HBx 1.0 0.0 2.93 596 400 A 28 TRP HD1 A 30 LYS HBy 1.0 0.0 5.34 597 400 A 28 TRP HD1 A 30 LYS HBx 1.0 0.0 5.34 598 401 A 28 TRP HD1 A 30 LYS HGx 1.0 0.0 4.59 599 401 A 28 TRP HD1 A 30 LYS HGy 1.0 0.0 4.59 600 402 A 28 TRP HD1 A 30 LYS HDx 1.0 0.0 5.34 601 402 A 28 TRP HD1 A 30 LYS HDy 1.0 0.0 5.34 602 403 A 29 CYS H A 29 CYS HBx 1.0 0.0 2.74 603 403 A 29 CYS H A 29 CYS HBy 1.0 0.0 2.74 604 404 A 30 LYS H A 29 CYS HBx 1.0 0.0 3.53 605 404 A 30 LYS H A 29 CYS HBy 1.0 0.0 3.53 606 405 A 30 LYS H A 30 LYS HGx 1.0 0.0 4.27 607 405 A 30 LYS H A 30 LYS HGy 1.0 0.0 4.27 608 406 A 30 LYS H A 30 LYS HDx 1.0 0.0 5.34 609 406 A 30 LYS H A 30 LYS HDy 1.0 0.0 5.34 610 407 A 30 LYS HA A 30 LYS HDx 1.0 0.0 5.32 611 407 A 30 LYS HA A 30 LYS HDy 1.0 0.0 5.32 612 408 A 30 LYS HBy A 30 LYS HDx 1.0 0.0 2.63 613 408 A 30 LYS HBx A 30 LYS HDx 1.0 0.0 2.63 614 408 A 30 LYS HDy A 30 LYS HBy 1.0 0.0 2.63 615 408 A 30 LYS HDy A 30 LYS HBx 1.0 0.0 2.63 616 409 A 31 TYR H A 30 LYS HGx 1.0 0.0 5.11 617 409 A 31 TYR H A 30 LYS HGy 1.0 0.0 5.11 618 410 A 32 ASP H A 31 TYR HBy 1.0 0.0 4.09 619 410 A 32 ASP H A 31 TYR HBx 1.0 0.0 4.09 620 411 A 33 LEU H A 33 LEU HBx 1.0 0.0 2.97 621 411 A 33 LEU H A 33 LEU HBy 1.0 0.0 2.97 622 412 A 33 LEU H A 33 LEU HDy% 1.0 0.0 5.64 623 412 A 33 LEU H A 33 LEU HDx% 1.0 0.0 5.64 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 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 21 THR H A 30 LYS O 1.0 0.0 2.0 2 2 A 30 LYS O A 21 THR N 1.0 0.0 3.0 3 3 A 30 LYS H A 21 THR O 1.0 0.0 2.0 4 4 A 21 THR O A 30 LYS N 1.0 0.0 3.0 5 5 A 23 SER H A 28 TRP O 1.0 0.0 2.0 6 6 A 28 TRP O A 23 SER N 1.0 0.0 3.0 7 7 A 6 PHE H A 29 CYS O 1.0 0.0 2.0 8 8 A 29 CYS O A 6 PHE N 1.0 0.0 3.0 9 9 A 20 TYR H A 18 LYS O 1.0 0.0 2.0 10 10 A 18 LYS O A 20 TYR N 1.0 0.0 3.0 11 11 A 29 CYS H A 7 LYS O 1.0 0.0 2.0 12 12 A 7 LYS O A 29 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 3 LEU N A 3 LEU CA A 3 LEU C A 4 GLY N 1.0 119.5 167.3 PSI 2 2 A 3 LEU C A 4 GLY N A 4 GLY CA A 4 GLY C 1.0 -100.5 -60.5 PHI 3 3 A 4 GLY C A 5 TRP N A 5 TRP CA A 5 TRP C 1.0 -80.2 -40.2 PHI 4 4 A 6 PHE C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -113.0 -73.0 PHI 5 5 A 8 SER C A 9 CYS N A 9 CYS CA A 9 CYS C 1.0 -168.4 -120.0 PHI 6 6 A 9 CYS N A 9 CYS CA A 9 CYS C A 10 ASP N 1.0 141.2 181.2 PSI 7 7 A 10 ASP N A 10 ASP CA A 10 ASP C A 11 PRO N 1.0 86.7 167.7 PSI 8 8 A 12 LYS N A 12 LYS CA A 12 LYS C A 13 ASN N 1.0 -39.8 0.2 PSI 9 9 A 17 CYS C A 18 LYS N A 18 LYS CA A 18 LYS C 1.0 -89.1 -49.1 PHI 10 10 A 19 ASN C A 20 TYR N A 20 TYR CA A 20 TYR C 1.0 -155.6 -24.4 PHI 11 11 A 20 TYR N A 20 TYR CA A 20 TYR C A 21 THR N 1.0 101.4 181.0 PSI 12 12 A 20 TYR C A 21 THR N A 21 THR CA A 21 THR C 1.0 -161.7 -81.9 PHI 13 13 A 21 THR N A 21 THR CA A 21 THR C A 22 CYS N 1.0 107.7 163.9 PSI 14 14 A 22 CYS C A 23 SER N A 23 SER CA A 23 SER C 1.0 -118.1 -61.3 PHI 15 15 A 23 SER N A 23 SER CA A 23 SER C A 24 ARG N 1.0 91.4 152.2 PSI 16 16 A 25 ARG C A 26 ASP N A 26 ASP CA A 26 ASP C 1.0 -120.8 -39.8 PHI 17 17 A 26 ASP N A 26 ASP CA A 26 ASP C A 27 ARG N 1.0 -74.6 30.4 PSI 18 18 A 30 LYS N A 30 LYS CA A 30 LYS C A 31 TYR N 1.0 136.6 176.6 PSI 19 19 A 30 LYS C A 31 TYR N A 31 TYR CA A 31 TYR C 1.0 -109.6 -39.6 PHI 20 20 A 31 TYR N A 31 TYR CA A 31 TYR C A 32 ASP N 1.0 113.3 159.5 PSI 21 21 A 1 ASP N A 1 ASP CA A 1 ASP CB A 1 ASP CG 1.0 -90.0 -30.0 CHI1 22 22 A 2 CYS N A 2 CYS CA A 2 CYS CB A 2 CYS SG 1.0 30.0 90.0 CHI1 23 23 A 7 LYS N A 7 LYS CA A 7 LYS CB A 7 LYS CG 1.0 -90.0 -30.0 CHI1 24 24 A 5 TRP N A 5 TRP CA A 5 TRP CB A 5 TRP CG 1.0 30.0 90.0 CHI1 stop_ save_