data_nef_c30377_6btv 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 6BTV 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 TYR 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 4.358 0.003 A 1 ASP HBx H 1 2.753 0.004 A 1 ASP HBy H 1 2.890 0.004 A 1 ASP CA C 13 53.289 0.000 A 1 ASP CB C 13 39.782 0.012 A 2 CYS H H 1 8.717 0.002 A 2 CYS HA H 1 4.936 0.004 A 2 CYS HBx H 1 3.152 0.005 A 2 CYS HBy H 1 3.244 0.004 A 2 CYS CA C 13 55.379 0.000 A 2 CYS CB C 13 43.299 0.000 A 2 CYS N N 15 116.584 0.000 A 3 LEU H H 1 8.524 0.002 A 3 LEU HA H 1 4.342 0.001 A 3 LEU HBx H 1 1.356 0.005 A 3 LEU HBy H 1 1.815 0.002 A 3 LEU HDx% H 1 0.962 0.002 A 3 LEU HDy% H 1 0.830 0.003 A 3 LEU HG H 1 1.566 0.004 A 3 LEU CA C 13 54.440 0.000 A 3 LEU CB C 13 44.145 0.011 A 3 LEU CDy C 13 26.246 0.000 A 3 LEU CDx C 13 22.280 0.000 A 3 LEU CG C 13 26.095 0.000 A 3 LEU N N 15 121.431 0.000 A 4 GLY H H 1 7.960 0.004 A 4 GLY HAy H 1 3.704 0.002 A 4 GLY HAx H 1 3.477 0.009 A 4 GLY CA C 13 42.593 0.020 A 4 GLY N N 15 109.118 0.000 A 5 TRP H H 1 7.636 0.004 A 5 TRP HA H 1 3.713 0.003 A 5 TRP HBx H 1 2.861 0.003 A 5 TRP HBy H 1 3.054 0.004 A 5 TRP HD1 H 1 7.224 0.003 A 5 TRP HE1 H 1 10.201 0.003 A 5 TRP HE3 H 1 8.100 0.000 A 5 TRP HH2 H 1 7.084 0.004 A 5 TRP HZ2 H 1 7.467 0.001 A 5 TRP HZ3 H 1 6.475 0.005 A 5 TRP CA C 13 58.058 0.000 A 5 TRP CB C 13 29.676 0.000 A 5 TRP N N 15 117.767 0.000 A 5 TRP NE1 N 15 129.600 0.000 A 6 PHE H H 1 9.022 0.003 A 6 PHE HA H 1 3.554 0.002 A 6 PHE HBx H 1 2.163 0.004 A 6 PHE HBy H 1 2.717 0.004 A 6 PHE HDx H 1 5.796 0.003 A 6 PHE HDy H 1 5.796 0.003 A 6 PHE HEx H 1 6.764 0.002 A 6 PHE HEy H 1 6.764 0.002 A 6 PHE HZ H 1 6.483 0.001 A 6 PHE CA C 13 59.863 0.000 A 6 PHE CB C 13 36.901 0.028 A 6 PHE N N 15 120.188 0.000 A 7 LYS H H 1 7.852 0.003 A 7 LYS HA H 1 4.379 0.002 A 7 LYS HBx H 1 1.744 0.005 A 7 LYS HBy H 1 2.026 0.004 A 7 LYS HDx H 1 1.640 0.002 A 7 LYS HDy H 1 1.640 0.002 A 7 LYS HEy H 1 2.986 0.004 A 7 LYS HEx H 1 2.983 0.001 A 7 LYS HGx H 1 1.215 0.003 A 7 LYS HGy H 1 1.467 0.004 A 7 LYS HZ1 H 1 7.540 0.001 A 7 LYS HZ2 H 1 7.540 0.001 A 7 LYS HZ3 H 1 7.540 0.001 A 7 LYS CA C 13 54.496 0.000 A 7 LYS CB C 13 32.544 0.031 A 7 LYS CD C 13 28.290 0.000 A 7 LYS CE C 13 42.101 0.000 A 7 LYS CG C 13 24.524 0.005 A 7 LYS N N 15 119.861 0.000 A 8 SER H H 1 8.445 0.002 A 8 SER HA H 1 4.894 0.004 A 8 SER HBx H 1 3.902 0.006 A 8 SER HBy H 1 3.955 0.003 A 8 SER CA C 13 59.259 0.000 A 8 SER CB C 13 63.554 0.000 A 8 SER N N 15 116.924 0.000 A 9 CYS H H 1 8.205 0.004 A 9 CYS HA H 1 4.825 0.005 A 9 CYS HBx H 1 2.986 0.004 A 9 CYS HBy H 1 3.063 0.004 A 9 CYS CA C 13 53.693 0.000 A 9 CYS CB C 13 46.398 0.025 A 9 CYS N N 15 119.541 0.000 A 10 ASP H H 1 8.992 0.002 A 10 ASP HA H 1 5.039 0.003 A 10 ASP HBx H 1 2.525 0.005 A 10 ASP HBy H 1 2.884 0.004 A 10 ASP CA C 13 49.152 0.000 A 10 ASP CB C 13 42.968 0.011 A 10 ASP N N 15 120.836 0.000 A 11 PRO HA H 1 3.883 0.003 A 11 PRO HBx H 1 1.905 0.002 A 11 PRO HBy H 1 2.125 0.004 A 11 PRO HDx H 1 3.834 0.003 A 11 PRO HDy H 1 3.920 0.005 A 11 PRO HGx H 1 1.819 0.002 A 11 PRO HGy H 1 2.012 0.006 A 11 PRO CA C 13 64.467 0.000 A 11 PRO CB C 13 32.266 0.013 A 11 PRO CD C 13 50.674 0.022 A 11 PRO CG C 13 27.634 0.014 A 12 LYS H H 1 8.097 0.004 A 12 LYS HA H 1 4.194 0.004 A 12 LYS HBx H 1 1.800 0.002 A 12 LYS HBy H 1 1.800 0.002 A 12 LYS HEx H 1 2.986 0.000 A 12 LYS HEy H 1 2.986 0.000 A 12 LYS HGx H 1 1.417 0.004 A 12 LYS HGy H 1 1.676 0.001 A 12 LYS HZ1 H 1 7.507 0.001 A 12 LYS HZ2 H 1 7.507 0.001 A 12 LYS HZ3 H 1 7.507 0.001 A 12 LYS CA C 13 56.818 0.000 A 12 LYS CB C 13 32.424 0.000 A 12 LYS CG C 13 24.476 0.000 A 12 LYS N N 15 124.122 0.000 A 13 ASN H H 1 7.576 0.004 A 13 ASN HA H 1 4.678 0.003 A 13 ASN HBx H 1 2.505 0.002 A 13 ASN HBy H 1 2.612 0.003 A 13 ASN HD2y H 1 6.782 0.002 A 13 ASN HD2x H 1 6.477 0.001 A 13 ASN CA C 13 52.289 0.061 A 13 ASN CB C 13 38.261 0.006 A 13 ASN N N 15 119.495 0.000 A 14 ASP H H 1 8.540 0.002 A 14 ASP HA H 1 4.173 0.001 A 14 ASP HBx H 1 2.501 0.003 A 14 ASP HBy H 1 3.039 0.002 A 14 ASP CA C 13 55.651 0.000 A 14 ASP CB C 13 41.242 0.000 A 14 ASP N N 15 123.357 0.000 A 15 LYS H H 1 8.012 0.003 A 15 LYS HA H 1 4.662 0.004 A 15 LYS HBx H 1 1.613 0.002 A 15 LYS HBy H 1 2.356 0.003 A 15 LYS HEx H 1 2.887 0.000 A 15 LYS HEy H 1 2.887 0.000 A 15 LYS HGx H 1 1.390 0.003 A 15 LYS HGy H 1 1.487 0.002 A 15 LYS HZ1 H 1 7.487 0.001 A 15 LYS HZ2 H 1 7.487 0.001 A 15 LYS HZ3 H 1 7.487 0.001 A 15 LYS CA C 13 54.380 0.000 A 15 LYS CB C 13 31.430 0.005 A 15 LYS CG C 13 24.502 0.002 A 15 LYS N N 15 127.714 0.000 A 16 CYS H H 1 9.216 0.003 A 16 CYS HA H 1 5.088 0.002 A 16 CYS HBx H 1 2.939 0.003 A 16 CYS HBy H 1 3.245 0.004 A 16 CYS CA C 13 56.825 0.000 A 16 CYS CB C 13 43.003 0.007 A 16 CYS N N 15 121.445 0.000 A 17 CYS H H 1 9.415 0.001 A 17 CYS HA H 1 4.510 0.005 A 17 CYS HBx H 1 2.544 0.002 A 17 CYS HBy H 1 3.500 0.004 A 17 CYS CA C 13 54.429 0.000 A 17 CYS CB C 13 41.847 0.008 A 17 CYS N N 15 121.345 0.000 A 18 LYS H H 1 8.245 0.001 A 18 LYS HA H 1 4.096 0.004 A 18 LYS HBx H 1 1.827 0.003 A 18 LYS HBy H 1 1.827 0.003 A 18 LYS HDx H 1 1.541 0.001 A 18 LYS HDy H 1 1.541 0.001 A 18 LYS HGx H 1 1.424 0.005 A 18 LYS HGy H 1 1.689 0.004 A 18 LYS CA C 13 57.875 0.000 A 18 LYS CB C 13 32.335 0.000 A 18 LYS CD C 13 26.995 0.000 A 18 LYS CG C 13 25.247 0.021 A 18 LYS N N 15 119.522 0.000 A 19 ASN H H 1 8.519 0.004 A 19 ASN HA H 1 3.915 0.002 A 19 ASN HBx H 1 2.577 0.003 A 19 ASN HBy H 1 3.140 0.002 A 19 ASN HD2y H 1 7.325 0.000 A 19 ASN HD2x H 1 6.800 0.000 A 19 ASN CA C 13 55.997 0.000 A 19 ASN CB C 13 36.927 0.012 A 19 ASN N N 15 115.325 0.000 A 20 TYR H H 1 8.638 0.002 A 20 TYR HA H 1 5.280 0.003 A 20 TYR HBx H 1 2.652 0.005 A 20 TYR HBy H 1 3.242 0.004 A 20 TYR HDx H 1 6.719 0.002 A 20 TYR HDy H 1 6.719 0.002 A 20 TYR HEx H 1 6.479 0.003 A 20 TYR HEy H 1 6.479 0.003 A 20 TYR CA C 13 56.164 0.000 A 20 TYR CB C 13 41.371 0.024 A 20 TYR N N 15 117.346 0.000 A 21 THR H H 1 9.095 0.002 A 21 THR HA H 1 4.653 0.003 A 21 THR HB H 1 3.808 0.002 A 21 THR HG2% H 1 0.991 0.002 A 21 THR CA C 13 60.216 0.000 A 21 THR CB C 13 71.439 0.000 A 21 THR CG2 C 13 20.470 0.000 A 21 THR N N 15 113.404 0.000 A 22 CYS H H 1 9.611 0.005 A 22 CYS HA H 1 4.549 0.003 A 22 CYS HBx H 1 2.622 0.002 A 22 CYS HBy H 1 3.087 0.004 A 22 CYS CA C 13 56.172 0.000 A 22 CYS CB C 13 38.624 0.015 A 22 CYS N N 15 127.254 0.000 A 23 SER H H 1 7.930 0.003 A 23 SER HA H 1 4.342 0.002 A 23 SER HBx H 1 3.708 0.003 A 23 SER HBy H 1 3.953 0.001 A 23 SER CA C 13 57.638 0.000 A 23 SER CB C 13 63.707 0.003 A 23 SER N N 15 116.032 0.000 A 24 ARG H H 1 8.872 0.001 A 24 ARG HA H 1 3.790 0.002 A 24 ARG HBx H 1 1.725 0.003 A 24 ARG HBy H 1 1.815 0.003 A 24 ARG HDx H 1 3.192 0.003 A 24 ARG HDy H 1 3.192 0.003 A 24 ARG HE H 1 7.231 0.010 A 24 ARG HGx H 1 1.617 0.003 A 24 ARG HGy H 1 1.617 0.003 A 24 ARG CA C 13 59.468 0.000 A 24 ARG CB C 13 29.815 0.035 A 24 ARG CD C 13 43.273 0.000 A 24 ARG CG C 13 28.327 0.000 A 24 ARG N N 15 129.131 0.000 A 25 ARG H H 1 7.891 0.004 A 25 ARG HA H 1 4.095 0.003 A 25 ARG HBx H 1 1.503 0.005 A 25 ARG HBy H 1 1.675 0.000 A 25 ARG HDx H 1 3.102 0.005 A 25 ARG HDy H 1 3.102 0.005 A 25 ARG HE H 1 7.202 0.001 A 25 ARG HGx H 1 1.440 0.004 A 25 ARG HGy H 1 1.570 0.001 A 25 ARG CA C 13 58.702 0.000 A 25 ARG CB C 13 31.109 0.019 A 25 ARG CG C 13 26.956 0.004 A 25 ARG N N 15 119.854 0.000 A 26 ASP H H 1 7.288 0.002 A 26 ASP HA H 1 4.267 0.002 A 26 ASP HBx H 1 1.078 0.004 A 26 ASP HBy H 1 1.197 0.003 A 26 ASP CA C 13 54.694 0.000 A 26 ASP CB C 13 40.572 0.022 A 26 ASP N N 15 124.809 0.000 A 27 ARG H H 1 8.167 0.002 A 27 ARG HA H 1 3.748 0.003 A 27 ARG HBx H 1 2.007 0.002 A 27 ARG HBy H 1 2.341 0.004 A 27 ARG HDx H 1 3.266 0.002 A 27 ARG HDy H 1 3.266 0.002 A 27 ARG HE H 1 7.274 0.002 A 27 ARG HGx H 1 1.275 0.002 A 27 ARG HGy H 1 1.394 0.001 A 27 ARG CA C 13 57.252 0.000 A 27 ARG CB C 13 26.181 0.006 A 27 ARG CD C 13 43.670 0.000 A 27 ARG CG C 13 28.120 0.037 A 27 ARG N N 15 112.987 0.000 A 28 TRP H H 1 6.796 0.005 A 28 TRP HA H 1 5.558 0.002 A 28 TRP HBx H 1 2.553 0.001 A 28 TRP HBy H 1 3.083 0.005 A 28 TRP HD1 H 1 6.829 0.003 A 28 TRP HE1 H 1 10.115 0.003 A 28 TRP HE3 H 1 7.403 0.004 A 28 TRP HH2 H 1 7.201 0.004 A 28 TRP HZ2 H 1 7.441 0.003 A 28 TRP HZ3 H 1 7.084 0.004 A 28 TRP CA C 13 55.722 0.000 A 28 TRP CB C 13 31.293 0.010 A 28 TRP N N 15 111.453 0.000 A 28 TRP NE1 N 15 129.140 0.000 A 29 CYS H H 1 8.415 0.001 A 29 CYS HA H 1 4.934 0.005 A 29 CYS HBx H 1 2.591 0.005 A 29 CYS HBy H 1 3.310 0.002 A 29 CYS CA C 13 54.514 0.000 A 29 CYS CB C 13 39.114 0.021 A 29 CYS N N 15 118.651 0.000 A 30 LYS H H 1 9.398 0.004 A 30 LYS HA H 1 4.978 0.010 A 30 LYS HBx H 1 1.917 0.005 A 30 LYS HBy H 1 1.995 0.004 A 30 LYS HDx H 1 1.727 0.004 A 30 LYS HDy H 1 1.727 0.004 A 30 LYS HGx H 1 1.535 0.003 A 30 LYS HGy H 1 1.535 0.003 A 30 LYS CA C 13 54.967 0.000 A 30 LYS CB C 13 36.037 0.004 A 30 LYS CD C 13 28.151 0.000 A 30 LYS CG C 13 24.914 0.000 A 30 LYS N N 15 125.954 0.000 A 31 TYR H H 1 8.098 0.004 A 31 TYR HA H 1 4.219 0.005 A 31 TYR HBx H 1 2.518 0.003 A 31 TYR HBy H 1 2.772 0.005 A 31 TYR HDx H 1 6.662 0.003 A 31 TYR HDy H 1 6.662 0.003 A 31 TYR HEx H 1 6.558 0.002 A 31 TYR HEy H 1 6.558 0.002 A 31 TYR CA C 13 58.878 0.000 A 31 TYR CB C 13 38.598 0.009 A 31 TYR N N 15 114.973 0.000 A 32 TYR H H 1 8.263 0.003 A 32 TYR HA H 1 4.287 0.001 A 32 TYR HBx H 1 2.544 0.003 A 32 TYR HBy H 1 2.801 0.004 A 32 TYR HDx H 1 6.857 0.003 A 32 TYR HDy H 1 6.857 0.003 A 32 TYR HEx H 1 6.709 0.005 A 32 TYR HEy H 1 6.709 0.005 A 32 TYR CB C 13 38.704 0.000 A 32 TYR N N 15 127.227 0.000 A 33 LEU H H 1 6.900 0.004 A 33 LEU HA H 1 4.000 0.003 A 33 LEU HBy H 1 1.368 0.003 A 33 LEU HBx H 1 1.200 0.002 A 33 LEU HDx% H 1 0.766 0.003 A 33 LEU HDy% H 1 0.658 0.003 A 33 LEU HG H 1 0.937 0.003 A 33 LEU CA C 13 54.266 0.000 A 33 LEU CB C 13 42.357 0.020 A 33 LEU CDy C 13 24.762 0.000 A 33 LEU CDx C 13 23.297 0.000 A 33 LEU CG C 13 26.501 0.000 A 33 LEU N N 15 124.434 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _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 3.42 2 2 A 21 THR HA A 22 CYS H 1.0 0.0 2.77 3 3 A 22 CYS H A 22 CYS HBx 1.0 0.0 3.40 4 4 A 22 CYS H A 22 CYS HBy 1.0 0.0 3.17 5 5 A 22 CYS HA A 23 SER H 1.0 0.0 2.56 6 6 A 23 SER H A 23 SER HBx 1.0 0.0 2.90 7 7 A 23 SER H A 23 SER HBy 1.0 0.0 2.90 8 8 A 23 SER H A 23 SER HA 1.0 0.0 2.90 9 9 A 23 SER HA A 24 ARG H 1.0 0.0 2.43 10 10 A 18 LYS HA A 20 TYR H 1.0 0.0 3.70 11 11 A 20 TYR H A 20 TYR HBx 1.0 0.0 3.61 12 12 A 20 TYR H A 20 TYR HBy 1.0 0.0 3.61 13 13 A 21 THR H A 20 TYR HA 1.0 0.0 2.65 14 14 A 10 ASP H A 10 ASP HBx 1.0 0.0 3.11 15 15 A 10 ASP H A 10 ASP HBy 1.0 0.0 3.11 16 16 A 10 ASP H A 9 CYS HA 1.0 0.0 2.80 17 17 A 9 CYS H A 9 CYS HBx 1.0 0.0 3.58 18 18 A 9 CYS H A 9 CYS HBy 1.0 0.0 3.58 19 19 A 13 ASN HA A 14 ASP H 1.0 0.0 2.59 20 20 A 8 SER H A 8 SER HBx 1.0 0.0 2.90 21 21 A 8 SER H A 8 SER HBy 1.0 0.0 3.20 22 22 A 6 PHE HA A 7 LYS H 1.0 0.0 3.45 23 23 A 6 PHE HA A 6 PHE H 1.0 0.0 3.00 24 24 A 6 PHE H A 6 PHE HBy 1.0 0.0 4.07 25 25 A 6 PHE H A 6 PHE HBx 1.0 0.0 4.07 26 26 A 6 PHE H A 5 TRP HA 1.0 0.0 3.30 27 27 A 29 CYS H A 29 CYS HBx 1.0 0.0 3.08 28 28 A 4 GLY H A 4 GLY HAx 1.0 0.0 2.93 29 29 A 4 GLY H A 4 GLY HAy 1.0 0.0 2.93 30 30 A 3 LEU H A 3 LEU HBx 1.0 0.0 3.30 31 31 A 3 LEU H A 3 LEU HBy 1.0 0.0 3.70 32 32 A 2 CYS H A 2 CYS HBx 1.0 0.0 3.79 33 33 A 2 CYS H A 2 CYS HBy 1.0 0.0 3.79 34 34 A 2 CYS H A 1 ASP HBx 1.0 0.0 3.73 35 35 A 2 CYS H A 1 ASP HBy 1.0 0.0 3.73 36 36 A 14 ASP H A 14 ASP HBx 1.0 0.0 2.68 37 37 A 14 ASP H A 14 ASP HBy 1.0 0.0 2.68 38 38 A 13 ASN H A 13 ASN HBx 1.0 0.0 2.96 39 39 A 13 ASN H A 13 ASN HBy 1.0 0.0 2.96 40 40 A 14 ASP HA A 15 LYS H 1.0 0.0 2.62 41 41 A 15 LYS H A 15 LYS HBx 1.0 0.0 3.55 42 42 A 15 LYS HA A 16 CYS H 1.0 0.0 3.30 43 43 A 16 CYS HA A 17 CYS H 1.0 0.0 2.52 44 44 A 13 ASN H A 12 LYS HA 1.0 0.0 3.27 45 45 A 18 LYS HA A 18 LYS H 1.0 0.0 2.93 46 46 A 19 ASN H A 19 ASN HA 1.0 0.0 2.59 47 47 A 27 ARG H A 27 ARG HA 1.0 0.0 2.52 48 48 A 27 ARG HA A 28 TRP H 1.0 0.0 3.21 49 49 A 28 TRP H A 28 TRP HBx 1.0 0.0 3.73 50 50 A 28 TRP H A 28 TRP HBy 1.0 0.0 3.73 51 51 A 28 TRP HA A 28 TRP HBx 1.0 0.0 2.83 52 52 A 28 TRP HA A 28 TRP HBy 1.0 0.0 2.83 53 53 A 29 CYS H A 28 TRP HA 1.0 0.0 2.59 54 54 A 29 CYS H A 29 CYS HBy 1.0 0.0 3.08 55 55 A 25 ARG H A 25 ARG HBx 1.0 0.0 2.93 56 56 A 25 ARG H A 25 ARG HBy 1.0 0.0 2.93 57 57 A 29 CYS HA A 30 LYS H 1.0 0.0 2.52 58 58 A 30 LYS H A 30 LYS HBx 1.0 0.0 3.42 59 59 A 30 LYS H A 30 LYS HBy 1.0 0.0 3.42 60 60 A 33 LEU H A 33 LEU HBy 1.0 0.0 3.70 61 61 A 33 LEU H A 33 LEU HBx 1.0 0.0 3.70 62 62 A 33 LEU H A 32 TYR HA 1.0 0.0 2.93 63 63 A 32 TYR H A 32 TYR HBx 1.0 0.0 3.14 64 64 A 32 TYR H A 32 TYR HBy 1.0 0.0 3.14 65 65 A 20 TYR HA A 32 TYR H 1.0 0.0 3.05 66 66 A 31 TYR H A 31 TYR HBy 1.0 0.0 2.96 67 67 A 31 TYR H A 31 TYR HBx 1.0 0.0 2.96 68 68 A 20 TYR H A 19 ASN HA 1.0 0.0 3.45 69 69 A 3 LEU H A 2 CYS HBy 1.0 0.0 3.27 70 70 A 4 GLY H A 3 LEU HA 1.0 0.0 2.59 71 71 A 7 LYS H A 7 LYS HBy 1.0 0.0 3.60 72 72 A 7 LYS H A 7 LYS HBx 1.0 0.0 3.27 73 73 A 5 TRP HA A 5 TRP H 1.0 0.0 2.62 74 74 A 5 TRP H A 5 TRP HBx 1.0 0.0 2.77 75 75 A 5 TRP H A 5 TRP HBy 1.0 0.0 2.77 76 76 A 5 TRP HA A 5 TRP HBy 1.0 0.0 2.96 77 77 A 5 TRP HA A 5 TRP HBx 1.0 0.0 2.96 78 78 A 8 SER H A 7 LYS HA 1.0 0.0 2.40 79 79 A 9 CYS H A 8 SER HA 1.0 0.0 2.49 80 80 A 21 THR H A 20 TYR HBy 1.0 0.0 3.55 81 81 A 21 THR H A 31 TYR HA 1.0 0.0 4.01 82 82 A 17 CYS H A 17 CYS HBx 1.0 0.0 3.33 83 83 A 17 CYS H A 17 CYS HBy 1.0 0.0 3.33 84 84 A 27 ARG H A 27 ARG HBx 1.0 0.0 3.70 85 85 A 27 ARG H A 27 ARG HBy 1.0 0.0 3.70 86 86 A 24 ARG H A 24 ARG HBx 1.0 0.0 3.27 87 87 A 24 ARG H A 24 ARG HBy 1.0 0.0 3.27 88 88 A 18 LYS H A 17 CYS HA 1.0 0.0 3.00 89 89 A 18 LYS HA A 19 ASN H 1.0 0.0 2.40 90 90 A 3 LEU H A 2 CYS HA 1.0 0.0 2.65 91 91 A 32 TYR H A 31 TYR HA 1.0 0.0 2.52 92 92 A 31 TYR H A 30 LYS HA 1.0 0.0 2.68 93 93 A 2 CYS H A 1 ASP HA 1.0 0.0 2.74 94 94 A 2 CYS HA A 2 CYS HBx 1.0 0.0 2.80 95 95 A 2 CYS HA A 2 CYS HBy 1.0 0.0 2.80 96 96 A 9 CYS H A 8 SER HBx 1.0 0.0 3.70 97 97 A 9 CYS H A 8 SER HBy 1.0 0.0 3.70 98 98 A 9 CYS HA A 9 CYS HBx 1.0 0.0 2.83 99 99 A 9 CYS HA A 9 CYS HBy 1.0 0.0 2.83 100 100 A 10 ASP H A 9 CYS HBx 1.0 0.0 3.33 101 101 A 10 ASP H A 9 CYS HBy 1.0 0.0 3.33 102 102 A 3 LEU H A 2 CYS HBx 1.0 0.0 3.27 103 103 A 26 ASP H A 26 ASP HBx 1.0 0.0 3.45 104 104 A 26 ASP H A 26 ASP HBy 1.0 0.0 3.45 105 105 A 15 LYS H A 15 LYS HBy 1.0 0.0 3.55 106 106 A 21 THR H A 20 TYR HBx 1.0 0.0 3.55 107 107 A 23 SER H A 22 CYS HBx 1.0 0.0 4.20 108 108 A 23 SER H A 22 CYS HBy 1.0 0.0 4.20 109 109 A 21 THR HB A 21 THR HA 1.0 0.0 2.93 110 110 A 27 ARG H A 26 ASP HBy 1.0 0.0 4.11 111 111 A 27 ARG H A 26 ASP HBx 1.0 0.0 4.11 112 112 A 33 LEU H A 32 TYR HBx 1.0 0.0 4.17 113 113 A 33 LEU H A 32 TYR HBy 1.0 0.0 4.17 114 114 A 3 LEU H A 17 CYS HA 1.0 0.0 4.07 115 115 A 4 GLY H A 7 LYS HBx 1.0 0.0 4.26 116 116 A 4 GLY H A 3 LEU HBx 1.0 0.0 4.07 117 117 A 4 GLY H A 3 LEU HBy 1.0 0.0 4.07 118 118 A 6 PHE H A 5 TRP HBy 1.0 0.0 3.92 119 119 A 6 PHE H A 5 TRP HBx 1.0 0.0 3.92 120 120 A 7 LYS H A 6 PHE HBy 1.0 0.0 4.48 121 121 A 7 LYS H A 6 PHE HBx 1.0 0.0 4.48 122 122 A 6 PHE HA A 29 CYS H 1.0 0.0 3.79 123 123 A 9 CYS H A 8 SER H 1.0 0.0 4.38 124 124 A 9 CYS H A 28 TRP HA 1.0 0.0 2.99 125 125 A 10 ASP H A 14 ASP HA 1.0 0.0 4.20 126 126 A 13 ASN H A 11 PRO HA 1.0 0.0 3.83 127 127 A 15 LYS H A 14 ASP HBx 1.0 0.0 4.14 128 128 A 15 LYS H A 14 ASP HBy 1.0 0.0 4.14 129 129 A 18 LYS H A 17 CYS HBx 1.0 0.0 3.33 130 130 A 27 ARG H A 26 ASP H 1.0 0.0 2.80 131 131 A 25 ARG H A 26 ASP H 1.0 0.0 2.90 132 132 A 13 ASN H A 12 LYS H 1.0 0.0 2.62 133 133 A 4 GLY H A 5 TRP H 1.0 0.0 3.98 134 134 A 27 ARG H A 25 ARG H 1.0 0.0 3.83 135 135 A 7 LYS H A 29 CYS H 1.0 0.0 3.42 136 136 A 24 ARG H A 25 ARG H 1.0 0.0 3.02 137 137 A 7 LYS H A 6 PHE H 1.0 0.0 3.27 138 138 A 6 PHE H A 5 TRP H 1.0 0.0 4.32 139 139 A 15 LYS H A 16 CYS H 1.0 0.0 3.05 140 140 A 21 THR H A 32 TYR H 1.0 0.0 4.17 141 141 A 17 CYS H A 18 LYS H 1.0 0.0 4.20 142 142 A 23 SER H A 30 LYS H 1.0 0.0 3.83 143 143 A 20 TYR H A 32 TYR H 1.0 0.0 4.26 144 144 A 14 ASP H A 12 LYS H 1.0 0.0 4.38 145 145 A 3 LEU H A 17 CYS H 1.0 0.0 3.36 146 146 A 21 THR H A 30 LYS H 1.0 0.0 3.17 147 147 A 3 LEU H A 16 CYS H 1.0 0.0 4.45 148 148 A 29 CYS H A 30 LYS H 1.0 0.0 4.45 149 149 A 20 TYR H A 19 ASN H 1.0 0.0 3.02 150 150 A 14 ASP H A 13 ASN H 1.0 0.0 3.24 151 151 A 27 ARG H A 28 TRP H 1.0 0.0 3.21 152 152 A 23 SER H A 28 TRP H 1.0 0.0 3.45 153 153 A 23 SER H A 29 CYS HA 1.0 0.0 3.52 154 154 A 21 THR H A 29 CYS HA 1.0 0.0 3.92 155 155 A 16 CYS H A 15 LYS HBx 1.0 0.0 4.35 156 156 A 16 CYS H A 15 LYS HBy 1.0 0.0 4.35 157 157 A 8 SER H A 7 LYS HBx 1.0 0.0 3.70 158 158 A 13 ASN H A 10 ASP HA 1.0 0.0 4.45 159 159 A 28 TRP HA A 8 SER HA 1.0 0.0 2.87 160 160 A 20 TYR H A 19 ASN HBx 1.0 0.0 4.23 161 161 A 22 CYS HA A 30 LYS H 1.0 0.0 3.58 162 162 A 10 ASP H A 15 LYS H 1.0 0.0 4.35 163 163 A 10 ASP H A 9 CYS H 1.0 0.0 4.48 164 164 A 10 ASP H A 13 ASN H 1.0 0.0 4.60 165 165 A 24 ARG H A 26 ASP H 1.0 0.0 4.60 166 166 A 20 TYR H A 19 ASN HBy 1.0 0.0 4.23 167 167 A 3 LEU H A 16 CYS HA 1.0 0.0 2.99 168 168 A 8 SER H A 7 LYS HBy 1.0 0.0 3.70 169 169 A 22 CYS HA A 29 CYS H 1.0 0.0 4.66 170 170 A 7 LYS H A 5 TRP HA 1.0 0.0 3.76 171 171 A 26 ASP H A 25 ARG HBy 1.0 0.0 3.48 172 172 A 26 ASP H A 25 ARG HBx 1.0 0.0 3.48 173 173 A 28 TRP H A 26 ASP HBx 1.0 0.0 4.29 174 174 A 28 TRP H A 26 ASP HBy 1.0 0.0 4.29 175 175 A 27 ARG HA A 28 TRP HA 1.0 0.0 4.26 176 176 A 20 TYR HA A 31 TYR HA 1.0 0.0 3.45 177 177 A 6 PHE HA A 28 TRP HA 1.0 0.0 4.32 178 178 A 22 CYS H A 23 SER H 1.0 0.0 4.63 179 179 A 21 THR H A 22 CYS H 1.0 0.0 4.66 180 180 A 21 THR HB A 22 CYS H 1.0 0.0 3.70 181 181 A 16 CYS H A 17 CYS H 1.0 0.0 4.63 182 182 A 4 GLY H A 7 LYS HBy 1.0 0.0 4.26 183 183 A 18 LYS H A 17 CYS HBy 1.0 0.0 3.02 184 184 A 3 LEU H A 3 LEU HG 1.0 0.0 2.93 185 185 A 10 ASP HA A 11 PRO HDx 1.0 0.0 2.87 186 186 A 10 ASP HA A 11 PRO HDy 1.0 0.0 2.87 187 187 A 15 LYS H A 15 LYS HGx 1.0 0.0 4.48 188 188 A 15 LYS H A 15 LYS HGy 1.0 0.0 4.48 189 189 A 33 LEU H A 33 LEU HG 1.0 0.0 4.54 190 190 A 27 ARG H A 27 ARG HGx 1.0 0.0 4.17 191 191 A 27 ARG H A 27 ARG HGy 1.0 0.0 4.17 192 192 A 3 LEU HA A 3 LEU HG 1.0 0.0 4.17 193 193 A 5 TRP HA A 20 TYR HE% 1.0 0.0 6.49 194 194 A 5 TRP HA A 5 TRP HD1 1.0 0.0 3.11 195 195 A 5 TRP HA A 6 PHE HD% 1.0 0.0 7.63 196 196 A 6 PHE HD% A 5 TRP HBx 1.0 0.0 7.63 197 197 A 5 TRP H A 5 TRP HD1 1.0 0.0 5.50 198 198 A 5 TRP H A 20 TYR HE% 1.0 0.0 7.60 199 199 A 20 TYR HE% A 5 TRP HD1 1.0 0.0 6.55 200 200 A 20 TYR HD% A 5 TRP HBx 1.0 0.0 7.63 201 201 A 20 TYR HD% A 5 TRP HBy 1.0 0.0 7.63 202 202 A 5 TRP HD1 A 20 TYR HD% 1.0 0.0 6.92 203 203 A 28 TRP HD1 A 28 TRP HBx 1.0 0.0 3.83 204 204 A 28 TRP HD1 A 28 TRP HBy 1.0 0.0 3.83 205 205 A 5 TRP HA A 20 TYR HD% 1.0 0.0 6.76 206 206 A 5 TRP H A 20 TYR HD% 1.0 0.0 7.63 207 207 A 28 TRP HZ3 A 28 TRP HBx 1.0 0.0 5.50 208 208 A 6 PHE HA A 6 PHE HD% 1.0 0.0 6.61 209 209 A 13 ASN H A 12 LYS HGy 1.0 0.0 5.50 210 210 A 13 ASN H A 12 LYS HGx 1.0 0.0 5.50 211 211 A 25 ARG HA A 25 ARG HGy 1.0 0.0 4.04 212 212 A 24 ARG HE A 24 ARG HBx 1.0 0.0 5.50 213 213 A 24 ARG HE A 24 ARG HBy 1.0 0.0 5.50 214 214 A 25 ARG H A 25 ARG HGx 1.0 0.0 4.45 215 215 A 25 ARG H A 25 ARG HGy 1.0 0.0 4.45 216 216 A 25 ARG HA A 25 ARG HGx 1.0 0.0 4.04 217 217 A 27 ARG HA A 27 ARG HE 1.0 0.0 5.25 218 218 A 27 ARG HA A 27 ARG HGx 1.0 0.0 4.01 219 219 A 27 ARG HA A 27 ARG HGy 1.0 0.0 4.01 220 220 A 28 TRP HE3 A 28 TRP HBy 1.0 0.0 3.89 221 221 A 28 TRP HE3 A 28 TRP HBx 1.0 0.0 3.89 222 222 A 28 TRP HA A 28 TRP HE3 1.0 0.0 5.16 223 223 A 6 PHE HA A 28 TRP HE3 1.0 0.0 3.79 224 224 A 28 TRP HA A 28 TRP HD1 1.0 0.0 5.13 225 225 A 31 TYR HD% A 32 TYR HD% 1.0 0.0 8.21 226 226 A 19 ASN H A 18 LYS HGx 1.0 0.0 4.45 227 227 A 19 ASN H A 18 LYS HGy 1.0 0.0 4.45 228 228 A 20 TYR HE% A 5 TRP HE1 1.0 0.0 7.63 229 229 A 20 TYR HA A 20 TYR HD% 1.0 0.0 6.39 230 230 A 21 THR HB A 32 TYR HD% 1.0 0.0 7.63 231 231 A 6 PHE HD% A 28 TRP HE1 1.0 0.0 7.63 232 232 A 6 PHE H A 5 TRP HD1 1.0 0.0 3.67 233 233 A 21 THR H A 20 TYR HD% 1.0 0.0 7.63 234 234 A 17 CYS H A 20 TYR HD% 1.0 0.0 7.63 235 235 A 20 TYR H A 20 TYR HD% 1.0 0.0 6.45 236 236 A 19 ASN H A 32 TYR HE% 1.0 0.0 7.63 237 237 A 29 CYS H A 28 TRP HD1 1.0 0.0 5.13 238 238 A 32 TYR H A 31 TYR HD% 1.0 0.0 7.16 239 239 A 29 CYS H A 28 TRP HE3 1.0 0.0 5.47 240 240 A 32 TYR H A 32 TYR HD% 1.0 0.0 6.14 241 241 A 31 TYR H A 20 TYR HD% 1.0 0.0 7.63 242 242 A 6 PHE HD% A 28 TRP HZ2 1.0 0.0 7.63 243 243 A 6 PHE HD% A 28 TRP HE3 1.0 0.0 7.63 244 244 A 5 TRP HD1 A 6 PHE HD% 1.0 0.0 7.63 245 245 A 6 PHE HD% A 28 TRP HZ3 1.0 0.0 7.63 246 246 A 6 PHE H A 6 PHE HD% 1.0 0.0 7.63 247 247 A 30 LYS HA A 28 TRP HD1 1.0 0.0 4.82 248 248 A 30 LYS HA A 20 TYR HD% 1.0 0.0 7.07 249 249 A 30 LYS HA A 20 TYR HE% 1.0 0.0 7.63 250 250 A 20 TYR HA A 32 TYR HD% 1.0 0.0 7.63 251 251 A 20 TYR HA A 31 TYR HD% 1.0 0.0 7.63 252 252 A 6 PHE HD% A 28 TRP HD1 1.0 0.0 7.63 253 253 A 6 PHE HA A 5 TRP HD1 1.0 0.0 5.07 254 254 A 21 THR HB A 32 TYR HE% 1.0 0.0 7.63 255 255 A 31 TYR HA A 31 TYR HD% 1.0 0.0 5.89 256 256 A 8 SER H A 7 LYS HGy 1.0 0.0 5.50 257 257 A 28 TRP HZ2 A 26 ASP HBy 1.0 0.0 5.50 258 258 A 28 TRP HE3 A 26 ASP HBy 1.0 0.0 5.50 259 259 A 28 TRP HD1 A 26 ASP HBy 1.0 0.0 4.79 260 260 A 28 TRP HD1 A 26 ASP HBx 1.0 0.0 4.79 261 261 A 31 TYR HD% A 33 LEU HBx 1.0 0.0 7.63 262 262 A 19 ASN HA A 32 TYR HD% 1.0 0.0 7.63 263 263 A 32 TYR HA A 32 TYR HD% 1.0 0.0 6.51 264 264 A 31 TYR HA A 20 TYR HD% 1.0 0.0 6.23 265 265 A 19 ASN HA A 32 TYR HE% 1.0 0.0 7.63 266 266 A 31 TYR HA A 20 TYR HE% 1.0 0.0 7.48 267 267 A 32 TYR H A 31 TYR HE% 1.0 0.0 7.63 268 268 A 32 TYR H A 32 TYR HE% 1.0 0.0 7.63 269 269 A 31 TYR H A 31 TYR HD% 1.0 0.0 7.63 270 270 A 7 LYS H A 28 TRP HE3 1.0 0.0 5.50 271 271 A 28 TRP HZ2 A 26 ASP HBx 1.0 0.0 5.50 272 272 A 28 TRP HE3 A 26 ASP HBx 1.0 0.0 5.50 273 273 A 28 TRP HZ3 A 28 TRP HBy 1.0 0.0 5.50 274 274 A 6 PHE HA A 28 TRP HZ3 1.0 0.0 5.50 275 275 A 16 CYS HA A 3 LEU HG 1.0 0.0 5.22 276 276 A 21 THR H A 30 LYS HBy 1.0 0.0 5.50 277 277 A 21 THR H A 30 LYS HBx 1.0 0.0 5.50 278 278 A 17 CYS HA A 20 TYR HD% 1.0 0.0 7.63 279 279 A 18 LYS HA A 20 TYR HD% 1.0 0.0 7.63 280 280 A 31 TYR HD% A 33 LEU HBy 1.0 0.0 7.63 281 281 A 31 TYR HE% A 33 LEU HA 1.0 0.0 7.63 282 282 A 33 LEU HG A 31 TYR HE% 1.0 0.0 7.63 283 283 A 19 ASN HA A 20 TYR HE% 1.0 0.0 7.63 284 284 A 6 PHE HD% A 5 TRP HBy 1.0 0.0 7.63 285 285 A 5 TRP HE1 A 6 PHE HE% 1.0 0.0 7.63 286 286 A 31 TYR HD% A 5 TRP HE1 1.0 0.0 7.63 287 287 A 6 PHE HD% A 5 TRP HE1 1.0 0.0 7.63 288 288 A 5 TRP HA A 5 TRP HE1 1.0 0.0 5.50 289 289 A 28 TRP HE1 A 26 ASP HA 1.0 0.0 5.50 290 290 A 30 LYS HA A 28 TRP HE1 1.0 0.0 5.50 291 291 A 17 CYS H A 20 TYR HE% 1.0 0.0 7.63 292 292 A 8 SER H A 7 LYS HGx 1.0 0.0 5.50 293 293 A 3 LEU H A 3 LEU HDx% 1.0 0.0 5.37 294 294 A 3 LEU H A 3 LEU HDy% 1.0 0.0 5.37 295 295 A 21 THR H A 21 THR HG2% 1.0 0.0 4.53 296 296 A 22 CYS H A 21 THR HG2% 1.0 0.0 5.65 297 297 A 23 SER H A 21 THR HG2% 1.0 0.0 6.52 298 298 A 4 GLY H A 3 LEU HDy% 1.0 0.0 6.52 299 299 A 32 TYR HD% A 21 THR HG2% 1.0 0.0 8.34 300 300 A 21 THR HG2% A 32 TYR HBx 1.0 0.0 5.50 301 301 A 21 THR HG2% A 32 TYR HBy 1.0 0.0 5.50 302 302 A 31 TYR HE% A 33 LEU HDx% 1.0 0.0 8.65 303 303 A 30 LYS H A 21 THR HG2% 1.0 0.0 6.15 304 304 A 32 TYR HD% A 33 LEU HDy% 1.0 0.0 8.65 305 305 A 32 TYR HE% A 33 LEU HDy% 1.0 0.0 8.65 306 306 A 32 TYR HE% A 33 LEU HDx% 1.0 0.0 8.65 307 307 A 32 TYR HE% A 21 THR HG2% 1.0 0.0 8.65 308 308 A 8 SER H A 3 LEU HDy% 1.0 0.0 6.52 309 309 A 32 TYR H A 21 THR HG2% 1.0 0.0 6.52 310 310 A 33 LEU H A 33 LEU HDx% 1.0 0.0 6.52 311 311 A 33 LEU H A 33 LEU HDy% 1.0 0.0 6.52 312 312 A 32 TYR HD% A 33 LEU HDx% 1.0 0.0 8.65 313 313 A 32 TYR HA A 21 THR HG2% 1.0 0.0 5.84 314 314 A 20 TYR HA A 21 THR HG2% 1.0 0.0 6.49 315 315 A 16 CYS HA A 3 LEU HDx% 1.0 0.0 6.52 316 316 A 16 CYS HA A 3 LEU HDy% 1.0 0.0 6.52 317 317 A 31 TYR HE% A 33 LEU HDy% 1.0 0.0 8.65 318 318 A 8 SER H A 3 LEU HDx% 1.0 0.0 6.52 319 319 A 4 GLY H A 3 LEU HDx% 1.0 0.0 6.52 320 320 A 2 CYS H A 1 ASP HBx 1.0 0.0 3.25 321 320 A 2 CYS H A 1 ASP HBy 1.0 0.0 3.25 322 321 A 2 CYS H A 2 CYS HBx 1.0 0.0 3.15 323 321 A 2 CYS H A 2 CYS HBy 1.0 0.0 3.15 324 322 A 3 LEU H A 2 CYS HBx 1.0 0.0 2.67 325 322 A 3 LEU H A 2 CYS HBy 1.0 0.0 2.67 326 323 A 16 CYS HA A 2 CYS HBx 1.0 0.0 5.34 327 323 A 16 CYS HA A 2 CYS HBy 1.0 0.0 5.34 328 324 A 18 LYS H A 2 CYS HBx 1.0 0.0 4.61 329 324 A 18 LYS H A 2 CYS HBy 1.0 0.0 4.61 330 325 A 3 LEU H A 3 LEU HBy 1.0 0.0 2.68 331 325 A 3 LEU H A 3 LEU HBx 1.0 0.0 2.68 332 326 A 3 LEU H A 4 GLY HAy 1.0 0.0 4.38 333 326 A 3 LEU H A 4 GLY HAx 1.0 0.0 4.38 334 327 A 3 LEU H A 15 LYS HBy 1.0 0.0 4.85 335 327 A 3 LEU H A 15 LYS HBx 1.0 0.0 4.85 336 328 A 3 LEU H A 16 CYS HBx 1.0 0.0 5.34 337 328 A 3 LEU H A 16 CYS HBy 1.0 0.0 5.34 338 329 A 3 LEU HA A 3 LEU HDy% 1.0 0.0 3.75 339 329 A 3 LEU HA A 3 LEU HDx% 1.0 0.0 3.75 340 330 A 3 LEU HG A 3 LEU HBy 1.0 0.0 2.53 341 330 A 3 LEU HG A 3 LEU HBx 1.0 0.0 2.53 342 331 A 4 GLY H A 3 LEU HBy 1.0 0.0 3.40 343 331 A 4 GLY H A 3 LEU HBx 1.0 0.0 3.40 344 332 A 16 CYS H A 3 LEU HBy 1.0 0.0 5.34 345 332 A 16 CYS H A 3 LEU HBx 1.0 0.0 5.34 346 333 A 16 CYS HA A 3 LEU HBy 1.0 0.0 3.00 347 333 A 16 CYS HA A 3 LEU HBx 1.0 0.0 3.00 348 334 A 17 CYS H A 3 LEU HBy 1.0 0.0 4.00 349 334 A 17 CYS H A 3 LEU HBx 1.0 0.0 4.00 350 335 A 4 GLY H A 3 LEU HDy% 1.0 0.0 5.11 351 335 A 4 GLY H A 3 LEU HDx% 1.0 0.0 5.11 352 336 A 3 LEU HDy% A 7 LYS HBy 1.0 0.0 4.41 353 336 A 3 LEU HDx% A 7 LYS HBy 1.0 0.0 4.41 354 336 A 7 LYS HBx A 3 LEU HDy% 1.0 0.0 4.41 355 336 A 3 LEU HDx% A 7 LYS HBx 1.0 0.0 4.41 356 337 A 3 LEU HDx% A 7 LYS HGy 1.0 0.0 5.30 357 337 A 3 LEU HDy% A 7 LYS HGy 1.0 0.0 5.30 358 337 A 7 LYS HGx A 3 LEU HDy% 1.0 0.0 5.30 359 337 A 3 LEU HDx% A 7 LYS HGx 1.0 0.0 5.30 360 338 A 3 LEU HDy% A 7 LYS HEy 1.0 0.0 6.19 361 338 A 3 LEU HDx% A 7 LYS HEy 1.0 0.0 6.19 362 338 A 7 LYS HEx A 3 LEU HDy% 1.0 0.0 6.19 363 338 A 3 LEU HDx% A 7 LYS HEx 1.0 0.0 6.19 364 339 A 9 CYS H A 3 LEU HDy% 1.0 0.0 6.42 365 339 A 9 CYS H A 3 LEU HDx% 1.0 0.0 6.42 366 340 A 9 CYS HA A 3 LEU HDy% 1.0 0.0 4.51 367 340 A 9 CYS HA A 3 LEU HDx% 1.0 0.0 4.51 368 341 A 3 LEU HDy% A 9 CYS HBx 1.0 0.0 4.12 369 341 A 3 LEU HDx% A 9 CYS HBx 1.0 0.0 4.12 370 341 A 9 CYS HBy A 3 LEU HDy% 1.0 0.0 4.12 371 341 A 3 LEU HDx% A 9 CYS HBy 1.0 0.0 4.12 372 342 A 10 ASP H A 3 LEU HDy% 1.0 0.0 5.97 373 342 A 10 ASP H A 3 LEU HDx% 1.0 0.0 5.97 374 343 A 15 LYS H A 3 LEU HDy% 1.0 0.0 5.50 375 343 A 15 LYS H A 3 LEU HDx% 1.0 0.0 5.50 376 344 A 3 LEU HDy% A 15 LYS HBy 1.0 0.0 5.00 377 344 A 3 LEU HDx% A 15 LYS HBy 1.0 0.0 5.00 378 344 A 15 LYS HBx A 3 LEU HDy% 1.0 0.0 5.00 379 344 A 15 LYS HBx A 3 LEU HDx% 1.0 0.0 5.00 380 345 A 16 CYS H A 3 LEU HDy% 1.0 0.0 6.39 381 345 A 16 CYS H A 3 LEU HDx% 1.0 0.0 6.39 382 346 A 16 CYS HA A 3 LEU HDy% 1.0 0.0 5.35 383 346 A 16 CYS HA A 3 LEU HDx% 1.0 0.0 5.35 384 347 A 17 CYS H A 3 LEU HDy% 1.0 0.0 6.42 385 347 A 17 CYS H A 3 LEU HDx% 1.0 0.0 6.42 386 348 A 4 GLY H A 4 GLY HAy 1.0 0.0 2.55 387 348 A 4 GLY H A 4 GLY HAx 1.0 0.0 2.55 388 349 A 4 GLY H A 7 LYS HBy 1.0 0.0 3.64 389 349 A 4 GLY H A 7 LYS HBx 1.0 0.0 3.64 390 350 A 4 GLY H A 7 LYS HGy 1.0 0.0 3.52 391 350 A 4 GLY H A 7 LYS HGx 1.0 0.0 3.52 392 351 A 5 TRP H A 4 GLY HAy 1.0 0.0 2.63 393 351 A 5 TRP H A 4 GLY HAx 1.0 0.0 2.63 394 352 A 4 GLY HAy A 7 LYS HBy 1.0 0.0 3.70 395 352 A 4 GLY HAx A 7 LYS HBy 1.0 0.0 3.70 396 352 A 7 LYS HBx A 4 GLY HAy 1.0 0.0 3.70 397 352 A 4 GLY HAx A 7 LYS HBx 1.0 0.0 3.70 398 353 A 20 TYR HD% A 4 GLY HAy 1.0 0.0 6.57 399 353 A 20 TYR HD% A 4 GLY HAx 1.0 0.0 6.57 400 354 A 20 TYR HE% A 4 GLY HAy 1.0 0.0 7.23 401 354 A 20 TYR HE% A 4 GLY HAx 1.0 0.0 7.23 402 355 A 5 TRP H A 5 TRP HBy 1.0 0.0 2.38 403 355 A 5 TRP H A 5 TRP HBx 1.0 0.0 2.38 404 356 A 5 TRP H A 6 PHE HBy 1.0 0.0 4.94 405 356 A 5 TRP H A 6 PHE HBx 1.0 0.0 4.94 406 357 A 5 TRP H A 7 LYS HGy 1.0 0.0 5.34 407 357 A 5 TRP H A 7 LYS HGx 1.0 0.0 5.34 408 358 A 6 PHE H A 5 TRP HBy 1.0 0.0 3.35 409 358 A 6 PHE H A 5 TRP HBx 1.0 0.0 3.35 410 359 A 20 TYR HE% A 5 TRP HBy 1.0 0.0 5.78 411 359 A 20 TYR HE% A 5 TRP HBx 1.0 0.0 5.78 412 360 A 5 TRP HD1 A 6 PHE HBy 1.0 0.0 5.29 413 360 A 5 TRP HD1 A 6 PHE HBx 1.0 0.0 5.29 414 361 A 5 TRP HZ3 A 18 LYS HDx 1.0 0.0 5.34 415 361 A 5 TRP HZ3 A 18 LYS HDy 1.0 0.0 5.34 416 362 A 6 PHE H A 6 PHE HBy 1.0 0.0 3.52 417 362 A 6 PHE H A 6 PHE HBx 1.0 0.0 3.52 418 363 A 6 PHE H A 7 LYS HGy 1.0 0.0 5.34 419 363 A 6 PHE H A 7 LYS HGx 1.0 0.0 5.34 420 364 A 6 PHE HA A 28 TRP HBy 1.0 0.0 4.03 421 364 A 6 PHE HA A 28 TRP HBx 1.0 0.0 4.03 422 365 A 6 PHE HZ A 6 PHE HBy 1.0 0.0 5.02 423 365 A 6 PHE HBx A 6 PHE HZ 1.0 0.0 5.02 424 366 A 28 TRP HE3 A 6 PHE HBy 1.0 0.0 5.34 425 366 A 28 TRP HE3 A 6 PHE HBx 1.0 0.0 5.34 426 367 A 6 PHE HD% A 7 LYS HBy 1.0 0.0 7.31 427 367 A 6 PHE HD% A 7 LYS HBx 1.0 0.0 7.31 428 368 A 6 PHE HD% A 28 TRP HBy 1.0 0.0 7.31 429 368 A 6 PHE HD% A 28 TRP HBx 1.0 0.0 7.31 430 369 A 7 LYS H A 7 LYS HBy 1.0 0.0 2.63 431 369 A 7 LYS H A 7 LYS HBx 1.0 0.0 2.63 432 370 A 7 LYS H A 7 LYS HGy 1.0 0.0 3.23 433 370 A 7 LYS H A 7 LYS HGx 1.0 0.0 3.23 434 371 A 7 LYS H A 7 LYS HDx 1.0 0.0 5.32 435 371 A 7 LYS H A 7 LYS HDy 1.0 0.0 5.32 436 372 A 7 LYS H A 28 TRP HBy 1.0 0.0 5.34 437 372 A 7 LYS H A 28 TRP HBx 1.0 0.0 5.34 438 373 A 7 LYS H A 29 CYS HBx 1.0 0.0 3.70 439 373 A 7 LYS H A 29 CYS HBy 1.0 0.0 3.70 440 374 A 7 LYS HA A 7 LYS HDx 1.0 0.0 3.53 441 374 A 7 LYS HA A 7 LYS HDy 1.0 0.0 3.53 442 375 A 8 SER H A 7 LYS HBy 1.0 0.0 2.98 443 375 A 8 SER H A 7 LYS HBx 1.0 0.0 2.98 444 376 A 29 CYS H A 7 LYS HBy 1.0 0.0 5.11 445 376 A 29 CYS H A 7 LYS HBx 1.0 0.0 5.11 446 377 A 9 CYS H A 8 SER HBy 1.0 0.0 3.12 447 377 A 9 CYS H A 8 SER HBx 1.0 0.0 3.12 448 378 A 28 TRP HA A 8 SER HBy 1.0 0.0 5.34 449 378 A 28 TRP HA A 8 SER HBx 1.0 0.0 5.34 450 379 A 9 CYS H A 27 ARG HBy 1.0 0.0 4.20 451 379 A 9 CYS H A 27 ARG HBx 1.0 0.0 4.20 452 380 A 10 ASP H A 9 CYS HBx 1.0 0.0 3.10 453 380 A 10 ASP H A 9 CYS HBy 1.0 0.0 3.10 454 381 A 10 ASP HA A 11 PRO HDx 1.0 0.0 2.46 455 381 A 10 ASP HA A 11 PRO HDy 1.0 0.0 2.46 456 382 A 12 LYS H A 10 ASP HBy 1.0 0.0 4.06 457 382 A 12 LYS H A 10 ASP HBx 1.0 0.0 4.06 458 383 A 13 ASN H A 10 ASP HBy 1.0 0.0 3.29 459 383 A 13 ASN H A 10 ASP HBx 1.0 0.0 3.29 460 384 A 10 ASP HBx A 13 ASN HD2y 1.0 0.0 4.91 461 384 A 10 ASP HBy A 13 ASN HD2y 1.0 0.0 4.91 462 384 A 13 ASN HD2x A 10 ASP HBy 1.0 0.0 4.91 463 384 A 10 ASP HBx A 13 ASN HD2x 1.0 0.0 4.91 464 385 A 12 LYS H A 11 PRO HBx 1.0 0.0 3.06 465 385 A 12 LYS H A 11 PRO HBy 1.0 0.0 3.06 466 386 A 11 PRO HBy A 24 ARG HDx 1.0 0.0 5.18 467 386 A 11 PRO HBx A 24 ARG HDx 1.0 0.0 5.18 468 386 A 24 ARG HDy A 11 PRO HBx 1.0 0.0 5.18 469 386 A 11 PRO HBy A 24 ARG HDy 1.0 0.0 5.18 470 387 A 12 LYS H A 11 PRO HGx 1.0 0.0 2.89 471 387 A 12 LYS H A 11 PRO HGy 1.0 0.0 2.89 472 388 A 11 PRO HGx A 24 ARG HDx 1.0 0.0 3.73 473 388 A 11 PRO HGy A 24 ARG HDx 1.0 0.0 3.73 474 388 A 24 ARG HDy A 11 PRO HGx 1.0 0.0 3.73 475 388 A 24 ARG HDy A 11 PRO HGy 1.0 0.0 3.73 476 389 A 27 ARG HE A 11 PRO HGx 1.0 0.0 4.53 477 389 A 27 ARG HE A 11 PRO HGy 1.0 0.0 4.53 478 390 A 12 LYS H A 11 PRO HDx 1.0 0.0 3.62 479 390 A 12 LYS H A 11 PRO HDy 1.0 0.0 3.62 480 391 A 11 PRO HDy A 12 LYS HGy 1.0 0.0 5.16 481 391 A 11 PRO HDx A 12 LYS HGy 1.0 0.0 5.16 482 391 A 12 LYS HGx A 11 PRO HDx 1.0 0.0 5.16 483 391 A 11 PRO HDy A 12 LYS HGx 1.0 0.0 5.16 484 392 A 11 PRO HDy A 27 ARG HGx 1.0 0.0 4.69 485 392 A 11 PRO HDx A 27 ARG HGx 1.0 0.0 4.69 486 392 A 27 ARG HGy A 11 PRO HDx 1.0 0.0 4.69 487 392 A 11 PRO HDy A 27 ARG HGy 1.0 0.0 4.69 488 393 A 12 LYS H A 12 LYS HBx 1.0 0.0 2.71 489 393 A 12 LYS H A 12 LYS HBy 1.0 0.0 2.71 490 394 A 12 LYS H A 12 LYS HGy 1.0 0.0 3.65 491 394 A 12 LYS H A 12 LYS HGx 1.0 0.0 3.65 492 395 A 12 LYS HA A 12 LYS HGy 1.0 0.0 3.69 493 395 A 12 LYS HA A 12 LYS HGx 1.0 0.0 3.69 494 396 A 13 ASN H A 12 LYS HBx 1.0 0.0 3.32 495 396 A 13 ASN H A 12 LYS HBy 1.0 0.0 3.32 496 397 A 12 LYS HBx A 13 ASN HD2y 1.0 0.0 5.18 497 397 A 12 LYS HBy A 13 ASN HD2y 1.0 0.0 5.18 498 397 A 13 ASN HD2x A 12 LYS HBx 1.0 0.0 5.18 499 397 A 13 ASN HD2x A 12 LYS HBy 1.0 0.0 5.18 500 398 A 13 ASN H A 12 LYS HGy 1.0 0.0 4.81 501 398 A 13 ASN H A 12 LYS HGx 1.0 0.0 4.81 502 399 A 13 ASN HBy A 13 ASN HD2y 1.0 0.0 3.07 503 399 A 13 ASN HBx A 13 ASN HD2y 1.0 0.0 3.07 504 399 A 13 ASN HD2x A 13 ASN HBy 1.0 0.0 3.07 505 399 A 13 ASN HD2x A 13 ASN HBx 1.0 0.0 3.07 506 400 A 15 LYS H A 14 ASP HBy 1.0 0.0 3.51 507 400 A 15 LYS H A 14 ASP HBx 1.0 0.0 3.51 508 401 A 16 CYS H A 14 ASP HBy 1.0 0.0 4.56 509 401 A 16 CYS H A 14 ASP HBx 1.0 0.0 4.56 510 402 A 15 LYS H A 15 LYS HBy 1.0 0.0 2.84 511 402 A 15 LYS H A 15 LYS HBx 1.0 0.0 2.84 512 403 A 16 CYS H A 15 LYS HBy 1.0 0.0 3.70 513 403 A 16 CYS H A 15 LYS HBx 1.0 0.0 3.70 514 404 A 16 CYS H A 16 CYS HBx 1.0 0.0 2.74 515 404 A 16 CYS H A 16 CYS HBy 1.0 0.0 2.74 516 405 A 16 CYS HA A 16 CYS HBx 1.0 0.0 2.57 517 405 A 16 CYS HA A 16 CYS HBy 1.0 0.0 2.57 518 406 A 17 CYS H A 16 CYS HBx 1.0 0.0 3.08 519 406 A 17 CYS H A 16 CYS HBy 1.0 0.0 3.08 520 407 A 17 CYS HA A 16 CYS HBx 1.0 0.0 4.26 521 407 A 17 CYS HA A 16 CYS HBy 1.0 0.0 4.26 522 408 A 20 TYR H A 16 CYS HBx 1.0 0.0 3.97 523 408 A 20 TYR H A 16 CYS HBy 1.0 0.0 3.97 524 409 A 20 TYR HA A 16 CYS HBx 1.0 0.0 4.24 525 409 A 20 TYR HA A 16 CYS HBy 1.0 0.0 4.24 526 410 A 20 TYR HD% A 16 CYS HBx 1.0 0.0 6.97 527 410 A 20 TYR HD% A 16 CYS HBy 1.0 0.0 6.97 528 411 A 21 THR H A 16 CYS HBx 1.0 0.0 4.91 529 411 A 21 THR H A 16 CYS HBy 1.0 0.0 4.91 530 412 A 21 THR HA A 16 CYS HBx 1.0 0.0 3.53 531 412 A 21 THR HA A 16 CYS HBy 1.0 0.0 3.53 532 413 A 22 CYS H A 16 CYS HBx 1.0 0.0 5.34 533 413 A 22 CYS H A 16 CYS HBy 1.0 0.0 5.34 534 414 A 29 CYS HA A 16 CYS HBx 1.0 0.0 5.11 535 414 A 29 CYS HA A 16 CYS HBy 1.0 0.0 5.11 536 415 A 17 CYS H A 17 CYS HBx 1.0 0.0 2.75 537 415 A 17 CYS H A 17 CYS HBy 1.0 0.0 2.75 538 416 A 17 CYS H A 20 TYR HBy 1.0 0.0 3.47 539 416 A 17 CYS H A 20 TYR HBx 1.0 0.0 3.47 540 417 A 18 LYS H A 17 CYS HBx 1.0 0.0 2.58 541 417 A 18 LYS H A 17 CYS HBy 1.0 0.0 2.58 542 418 A 17 CYS HBx A 20 TYR HBy 1.0 0.0 5.18 543 418 A 17 CYS HBy A 20 TYR HBy 1.0 0.0 5.18 544 418 A 20 TYR HBx A 17 CYS HBx 1.0 0.0 5.18 545 418 A 17 CYS HBy A 20 TYR HBx 1.0 0.0 5.18 546 419 A 18 LYS H A 18 LYS HBx 1.0 0.0 2.68 547 419 A 18 LYS H A 18 LYS HBy 1.0 0.0 2.68 548 420 A 18 LYS H A 18 LYS HGy 1.0 0.0 3.75 549 420 A 18 LYS H A 18 LYS HGx 1.0 0.0 3.75 550 421 A 18 LYS HA A 18 LYS HGy 1.0 0.0 2.97 551 421 A 18 LYS HA A 18 LYS HGx 1.0 0.0 2.97 552 422 A 18 LYS HA A 18 LYS HDx 1.0 0.0 3.91 553 422 A 18 LYS HA A 18 LYS HDy 1.0 0.0 3.91 554 423 A 18 LYS HA A 19 ASN HBy 1.0 0.0 4.27 555 423 A 18 LYS HA A 19 ASN HBx 1.0 0.0 4.27 556 424 A 19 ASN H A 18 LYS HGy 1.0 0.0 3.68 557 424 A 19 ASN H A 18 LYS HGx 1.0 0.0 3.68 558 425 A 18 LYS HGx A 19 ASN HD2y 1.0 0.0 5.18 559 425 A 18 LYS HGy A 19 ASN HD2y 1.0 0.0 5.18 560 425 A 19 ASN HD2x A 18 LYS HGy 1.0 0.0 5.18 561 425 A 18 LYS HGx A 19 ASN HD2x 1.0 0.0 5.18 562 426 A 19 ASN H A 19 ASN HBy 1.0 0.0 3.41 563 426 A 19 ASN H A 19 ASN HBx 1.0 0.0 3.41 564 427 A 19 ASN HA A 19 ASN HBy 1.0 0.0 2.62 565 427 A 19 ASN HA A 19 ASN HBx 1.0 0.0 2.62 566 428 A 19 ASN HBy A 19 ASN HD2y 1.0 0.0 3.10 567 428 A 19 ASN HBx A 19 ASN HD2y 1.0 0.0 3.10 568 428 A 19 ASN HD2x A 19 ASN HBy 1.0 0.0 3.10 569 428 A 19 ASN HBx A 19 ASN HD2x 1.0 0.0 3.10 570 429 A 20 TYR H A 19 ASN HBy 1.0 0.0 3.63 571 429 A 20 TYR H A 19 ASN HBx 1.0 0.0 3.63 572 430 A 20 TYR HD% A 19 ASN HBy 1.0 0.0 7.31 573 430 A 20 TYR HD% A 19 ASN HBx 1.0 0.0 7.31 574 431 A 20 TYR HE% A 19 ASN HBy 1.0 0.0 7.32 575 431 A 20 TYR HE% A 19 ASN HBx 1.0 0.0 7.32 576 432 A 31 TYR HD% A 19 ASN HBy 1.0 0.0 7.31 577 432 A 31 TYR HD% A 19 ASN HBx 1.0 0.0 7.31 578 433 A 20 TYR HE% A 19 ASN HD2y 1.0 0.0 7.31 579 433 A 20 TYR HE% A 19 ASN HD2x 1.0 0.0 7.31 580 434 A 20 TYR H A 20 TYR HBy 1.0 0.0 2.94 581 434 A 20 TYR H A 20 TYR HBx 1.0 0.0 2.94 582 435 A 20 TYR HA A 31 TYR HBy 1.0 0.0 5.34 583 435 A 20 TYR HA A 31 TYR HBx 1.0 0.0 5.34 584 436 A 21 THR H A 20 TYR HBy 1.0 0.0 2.84 585 436 A 21 THR H A 20 TYR HBx 1.0 0.0 2.84 586 437 A 30 LYS H A 20 TYR HBy 1.0 0.0 4.41 587 437 A 30 LYS H A 20 TYR HBx 1.0 0.0 4.41 588 438 A 32 TYR H A 20 TYR HBy 1.0 0.0 5.34 589 438 A 32 TYR H A 20 TYR HBx 1.0 0.0 5.34 590 439 A 20 TYR HD% A 30 LYS HBy 1.0 0.0 7.31 591 439 A 20 TYR HD% A 30 LYS HBx 1.0 0.0 7.31 592 440 A 20 TYR HE% A 31 TYR HBy 1.0 0.0 7.32 593 440 A 20 TYR HE% A 31 TYR HBx 1.0 0.0 7.32 594 441 A 21 THR H A 30 LYS HGx 1.0 0.0 5.34 595 441 A 21 THR H A 30 LYS HGy 1.0 0.0 5.34 596 442 A 21 THR H A 32 TYR HBy 1.0 0.0 5.34 597 442 A 21 THR H A 32 TYR HBx 1.0 0.0 5.34 598 443 A 21 THR HB A 32 TYR HBy 1.0 0.0 4.70 599 443 A 21 THR HB A 32 TYR HBx 1.0 0.0 4.70 600 444 A 21 THR HG2% A 30 LYS HBy 1.0 0.0 6.29 601 444 A 21 THR HG2% A 30 LYS HBx 1.0 0.0 6.29 602 445 A 21 THR HG2% A 32 TYR HBy 1.0 0.0 4.78 603 445 A 21 THR HG2% A 32 TYR HBx 1.0 0.0 4.78 604 446 A 23 SER H A 22 CYS HBx 1.0 0.0 3.62 605 446 A 23 SER H A 22 CYS HBy 1.0 0.0 3.62 606 447 A 23 SER H A 23 SER HBy 1.0 0.0 2.47 607 447 A 23 SER H A 23 SER HBx 1.0 0.0 2.47 608 448 A 23 SER HA A 23 SER HBy 1.0 0.0 2.63 609 448 A 23 SER HA A 23 SER HBx 1.0 0.0 2.63 610 449 A 24 ARG H A 23 SER HBy 1.0 0.0 3.79 611 449 A 24 ARG H A 23 SER HBx 1.0 0.0 3.79 612 450 A 30 LYS H A 23 SER HBy 1.0 0.0 4.85 613 450 A 30 LYS H A 23 SER HBx 1.0 0.0 4.85 614 451 A 30 LYS HA A 23 SER HBy 1.0 0.0 5.26 615 451 A 30 LYS HA A 23 SER HBx 1.0 0.0 5.26 616 452 A 23 SER HBy A 30 LYS HGx 1.0 0.0 3.80 617 452 A 23 SER HBx A 30 LYS HGx 1.0 0.0 3.80 618 452 A 30 LYS HGy A 23 SER HBy 1.0 0.0 3.80 619 452 A 30 LYS HGy A 23 SER HBx 1.0 0.0 3.80 620 453 A 23 SER HBx A 30 LYS HDx 1.0 0.0 3.53 621 453 A 23 SER HBy A 30 LYS HDx 1.0 0.0 3.53 622 453 A 30 LYS HDy A 23 SER HBy 1.0 0.0 3.53 623 453 A 23 SER HBx A 30 LYS HDy 1.0 0.0 3.53 624 454 A 24 ARG H A 24 ARG HBy 1.0 0.0 2.52 625 454 A 24 ARG H A 24 ARG HBx 1.0 0.0 2.52 626 455 A 24 ARG H A 24 ARG HGx 1.0 0.0 4.65 627 455 A 24 ARG H A 24 ARG HGy 1.0 0.0 4.65 628 456 A 24 ARG H A 24 ARG HDx 1.0 0.0 4.97 629 456 A 24 ARG H A 24 ARG HDy 1.0 0.0 4.97 630 457 A 24 ARG HA A 24 ARG HBy 1.0 0.0 2.45 631 457 A 24 ARG HBx A 24 ARG HA 1.0 0.0 2.45 632 458 A 24 ARG HA A 24 ARG HDx 1.0 0.0 4.29 633 458 A 24 ARG HDy A 24 ARG HA 1.0 0.0 4.29 634 459 A 24 ARG HBx A 24 ARG HGx 1.0 0.0 2.06 635 459 A 24 ARG HBy A 24 ARG HGx 1.0 0.0 2.06 636 459 A 24 ARG HGy A 24 ARG HBy 1.0 0.0 2.06 637 459 A 24 ARG HBx A 24 ARG HGy 1.0 0.0 2.06 638 460 A 24 ARG HBx A 24 ARG HDx 1.0 0.0 3.02 639 460 A 24 ARG HDy A 24 ARG HBy 1.0 0.0 3.02 640 460 A 24 ARG HDy A 24 ARG HBx 1.0 0.0 3.02 641 460 A 24 ARG HBy A 24 ARG HDx 1.0 0.0 3.02 642 461 A 25 ARG H A 24 ARG HBy 1.0 0.0 3.05 643 461 A 25 ARG H A 24 ARG HBx 1.0 0.0 3.05 644 462 A 27 ARG H A 24 ARG HBy 1.0 0.0 4.41 645 462 A 27 ARG H A 24 ARG HBx 1.0 0.0 4.41 646 463 A 27 ARG HE A 24 ARG HBy 1.0 0.0 5.34 647 463 A 27 ARG HE A 24 ARG HBx 1.0 0.0 5.34 648 464 A 25 ARG H A 24 ARG HDx 1.0 0.0 5.34 649 464 A 25 ARG H A 24 ARG HDy 1.0 0.0 5.34 650 465 A 27 ARG H A 24 ARG HDx 1.0 0.0 5.34 651 465 A 27 ARG H A 24 ARG HDy 1.0 0.0 5.34 652 466 A 24 ARG HDy A 27 ARG HBy 1.0 0.0 4.28 653 466 A 27 ARG HBx A 24 ARG HDx 1.0 0.0 4.28 654 466 A 27 ARG HBx A 24 ARG HDy 1.0 0.0 4.28 655 466 A 24 ARG HDx A 27 ARG HBy 1.0 0.0 4.28 656 467 A 24 ARG HDy A 27 ARG HGx 1.0 0.0 3.82 657 467 A 24 ARG HDx A 27 ARG HGx 1.0 0.0 3.82 658 467 A 27 ARG HGy A 24 ARG HDx 1.0 0.0 3.82 659 467 A 24 ARG HDy A 27 ARG HGy 1.0 0.0 3.82 660 468 A 27 ARG HE A 24 ARG HDx 1.0 0.0 3.50 661 468 A 27 ARG HE A 24 ARG HDy 1.0 0.0 3.50 662 469 A 25 ARG H A 25 ARG HGx 1.0 0.0 3.81 663 469 A 25 ARG H A 25 ARG HGy 1.0 0.0 3.81 664 470 A 25 ARG HA A 25 ARG HGx 1.0 0.0 3.39 665 470 A 25 ARG HA A 25 ARG HGy 1.0 0.0 3.39 666 471 A 25 ARG HBy A 25 ARG HGx 1.0 0.0 1.97 667 471 A 25 ARG HBx A 25 ARG HGx 1.0 0.0 1.97 668 471 A 25 ARG HGy A 25 ARG HBy 1.0 0.0 1.97 669 471 A 25 ARG HGy A 25 ARG HBx 1.0 0.0 1.97 670 472 A 25 ARG HE A 25 ARG HBy 1.0 0.0 4.88 671 472 A 25 ARG HBx A 25 ARG HE 1.0 0.0 4.88 672 473 A 26 ASP H A 25 ARG HBy 1.0 0.0 2.91 673 473 A 26 ASP H A 25 ARG HBx 1.0 0.0 2.91 674 474 A 25 ARG HE A 26 ASP HBy 1.0 0.0 5.34 675 474 A 25 ARG HE A 26 ASP HBx 1.0 0.0 5.34 676 475 A 26 ASP H A 26 ASP HBy 1.0 0.0 2.84 677 475 A 26 ASP H A 26 ASP HBx 1.0 0.0 2.84 678 476 A 26 ASP H A 27 ARG HGx 1.0 0.0 4.73 679 476 A 26 ASP H A 27 ARG HGy 1.0 0.0 4.73 680 477 A 27 ARG H A 26 ASP HBy 1.0 0.0 3.41 681 477 A 27 ARG H A 26 ASP HBx 1.0 0.0 3.41 682 478 A 28 TRP H A 26 ASP HBy 1.0 0.0 3.56 683 478 A 28 TRP H A 26 ASP HBx 1.0 0.0 3.56 684 479 A 28 TRP HD1 A 26 ASP HBy 1.0 0.0 4.18 685 479 A 28 TRP HD1 A 26 ASP HBx 1.0 0.0 4.18 686 480 A 28 TRP HE3 A 26 ASP HBy 1.0 0.0 4.80 687 480 A 28 TRP HE3 A 26 ASP HBx 1.0 0.0 4.80 688 481 A 28 TRP HE1 A 26 ASP HBy 1.0 0.0 4.38 689 481 A 28 TRP HE1 A 26 ASP HBx 1.0 0.0 4.38 690 482 A 28 TRP HZ3 A 26 ASP HBy 1.0 0.0 5.34 691 482 A 28 TRP HZ3 A 26 ASP HBx 1.0 0.0 5.34 692 483 A 28 TRP HZ2 A 26 ASP HBy 1.0 0.0 4.83 693 483 A 28 TRP HZ2 A 26 ASP HBx 1.0 0.0 4.83 694 484 A 27 ARG H A 27 ARG HBy 1.0 0.0 3.24 695 484 A 27 ARG H A 27 ARG HBx 1.0 0.0 3.24 696 485 A 27 ARG H A 27 ARG HGx 1.0 0.0 3.42 697 485 A 27 ARG H A 27 ARG HGy 1.0 0.0 3.42 698 486 A 27 ARG HA A 27 ARG HBy 1.0 0.0 2.62 699 486 A 27 ARG HA A 27 ARG HBx 1.0 0.0 2.62 700 487 A 27 ARG HA A 27 ARG HGx 1.0 0.0 3.34 701 487 A 27 ARG HA A 27 ARG HGy 1.0 0.0 3.34 702 488 A 27 ARG HA A 27 ARG HDx 1.0 0.0 5.34 703 488 A 27 ARG HA A 27 ARG HDy 1.0 0.0 5.34 704 489 A 27 ARG HE A 27 ARG HBy 1.0 0.0 4.12 705 489 A 27 ARG HE A 27 ARG HBx 1.0 0.0 4.12 706 490 A 28 TRP H A 27 ARG HGx 1.0 0.0 4.88 707 490 A 28 TRP H A 27 ARG HGy 1.0 0.0 4.88 708 491 A 28 TRP HA A 29 CYS HBx 1.0 0.0 4.41 709 491 A 28 TRP HA A 29 CYS HBy 1.0 0.0 4.41 710 492 A 28 TRP HE3 A 28 TRP HBy 1.0 0.0 3.19 711 492 A 28 TRP HE3 A 28 TRP HBx 1.0 0.0 3.19 712 493 A 29 CYS H A 28 TRP HBy 1.0 0.0 3.17 713 493 A 29 CYS H A 28 TRP HBx 1.0 0.0 3.17 714 494 A 28 TRP HD1 A 29 CYS HBx 1.0 0.0 5.34 715 494 A 28 TRP HD1 A 29 CYS HBy 1.0 0.0 5.34 716 495 A 28 TRP HD1 A 30 LYS HBy 1.0 0.0 4.36 717 495 A 28 TRP HD1 A 30 LYS HBx 1.0 0.0 4.36 718 496 A 28 TRP HD1 A 30 LYS HGx 1.0 0.0 3.91 719 496 A 28 TRP HD1 A 30 LYS HGy 1.0 0.0 3.91 720 497 A 28 TRP HD1 A 30 LYS HDx 1.0 0.0 5.34 721 497 A 28 TRP HD1 A 30 LYS HDy 1.0 0.0 5.34 722 498 A 28 TRP HE1 A 30 LYS HBy 1.0 0.0 5.34 723 498 A 28 TRP HE1 A 30 LYS HBx 1.0 0.0 5.34 724 499 A 28 TRP HE1 A 30 LYS HGx 1.0 0.0 4.41 725 499 A 28 TRP HE1 A 30 LYS HGy 1.0 0.0 4.41 726 500 A 28 TRP HE1 A 30 LYS HDx 1.0 0.0 5.34 727 500 A 28 TRP HE1 A 30 LYS HDy 1.0 0.0 5.34 728 501 A 28 TRP HZ2 A 30 LYS HGx 1.0 0.0 5.34 729 501 A 28 TRP HZ2 A 30 LYS HGy 1.0 0.0 5.34 730 502 A 29 CYS H A 29 CYS HBx 1.0 0.0 2.65 731 502 A 29 CYS H A 29 CYS HBy 1.0 0.0 2.65 732 503 A 30 LYS H A 30 LYS HGx 1.0 0.0 3.82 733 503 A 30 LYS H A 30 LYS HGy 1.0 0.0 3.82 734 504 A 30 LYS H A 30 LYS HDx 1.0 0.0 5.34 735 504 A 30 LYS H A 30 LYS HDy 1.0 0.0 5.34 736 505 A 30 LYS HA A 30 LYS HDx 1.0 0.0 5.34 737 505 A 30 LYS HA A 30 LYS HDy 1.0 0.0 5.34 738 506 A 30 LYS HA A 31 TYR HBy 1.0 0.0 4.41 739 506 A 30 LYS HA A 31 TYR HBx 1.0 0.0 4.41 740 507 A 30 LYS HBy A 30 LYS HDx 1.0 0.0 2.79 741 507 A 30 LYS HBx A 30 LYS HDx 1.0 0.0 2.79 742 507 A 30 LYS HDy A 30 LYS HBy 1.0 0.0 2.79 743 507 A 30 LYS HBx A 30 LYS HDy 1.0 0.0 2.79 744 508 A 31 TYR H A 30 LYS HGx 1.0 0.0 4.79 745 508 A 31 TYR H A 30 LYS HGy 1.0 0.0 4.79 746 509 A 31 TYR H A 31 TYR HBy 1.0 0.0 2.56 747 509 A 31 TYR H A 31 TYR HBx 1.0 0.0 2.56 748 510 A 32 TYR HD% A 31 TYR HBy 1.0 0.0 6.20 749 510 A 32 TYR HD% A 31 TYR HBx 1.0 0.0 6.20 750 511 A 31 TYR HE% A 33 LEU HBx 1.0 0.0 6.62 751 511 A 31 TYR HE% A 33 LEU HBy 1.0 0.0 6.62 752 512 A 32 TYR H A 32 TYR HBy 1.0 0.0 2.64 753 512 A 32 TYR H A 32 TYR HBx 1.0 0.0 2.64 754 513 A 32 TYR HA A 32 TYR HBy 1.0 0.0 2.63 755 513 A 32 TYR HA A 32 TYR HBx 1.0 0.0 2.63 756 514 A 32 TYR HBy A 33 LEU HDy% 1.0 0.0 6.18 757 514 A 32 TYR HBx A 33 LEU HDy% 1.0 0.0 6.18 758 514 A 33 LEU HDx% A 32 TYR HBy 1.0 0.0 6.18 759 514 A 32 TYR HBx A 33 LEU HDx% 1.0 0.0 6.18 760 515 A 33 LEU H A 33 LEU HBx 1.0 0.0 3.02 761 515 A 33 LEU H A 33 LEU HBy 1.0 0.0 3.02 762 516 A 33 LEU HA A 33 LEU HDy% 1.0 0.0 4.43 763 516 A 33 LEU HA A 33 LEU HDx% 1.0 0.0 4.43 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 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 32 TYR H A 19 ASN O 1.0 0.0 2.0 6 6 A 19 ASN O A 32 TYR N 1.0 0.0 3.0 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 CYS C A 3 LEU N A 3 LEU CA A 3 LEU C 1.0 -117.8 -39.8 PHI 2 2 A 3 LEU N A 3 LEU CA A 3 LEU C A 4 GLY N 1.0 107.3 175.1 PSI 3 3 A 5 TRP C A 6 PHE N A 6 PHE CA A 6 PHE C 1.0 -86.2 -46.2 PHI 4 4 A 8 SER C A 9 CYS N A 9 CYS CA A 9 CYS C 1.0 -165.1 -120.3 PHI 5 5 A 9 CYS N A 9 CYS CA A 9 CYS C A 10 ASP N 1.0 138.8 178.8 PSI 6 6 A 9 CYS C A 10 ASP N A 10 ASP CA A 10 ASP C 1.0 -140.1 -57.9 PHI 7 7 A 10 ASP N A 10 ASP CA A 10 ASP C A 11 PRO N 1.0 97.0 179.8 PSI 8 8 A 13 ASN C A 14 ASP N A 14 ASP CA A 14 ASP C 1.0 -88.3 -48.3 PHI 9 9 A 17 CYS C A 18 LYS N A 18 LYS CA A 18 LYS C 1.0 -74.9 -25.1 PHI 10 10 A 18 LYS C A 19 ASN N A 19 ASN CA A 19 ASN C 1.0 39.0 79.0 PHI 11 11 A 20 TYR N A 20 TYR CA A 20 TYR C A 21 THR N 1.0 110.9 177.9 PSI 12 12 A 20 TYR C A 21 THR N A 21 THR CA A 21 THR C 1.0 -178.8 -105.2 PHI 13 13 A 21 THR N A 21 THR CA A 21 THR C A 22 CYS N 1.0 109.5 172.1 PSI 14 14 A 21 THR C A 22 CYS N A 22 CYS CA A 22 CYS C 1.0 -102.6 -42.6 PHI 15 15 A 22 CYS N A 22 CYS CA A 22 CYS C A 23 SER N 1.0 103.1 180.1 PSI 16 16 A 22 CYS C A 23 SER N A 23 SER CA A 23 SER C 1.0 -124.0 -57.2 PHI 17 17 A 23 SER N A 23 SER CA A 23 SER C A 24 ARG N 1.0 125.0 175.0 PSI 18 18 A 23 SER C A 24 ARG N A 24 ARG CA A 24 ARG C 1.0 -107.0 -67.0 PHI 19 19 A 24 ARG N A 24 ARG CA A 24 ARG C A 25 ARG N 1.0 -57.7 -17.7 PSI 20 20 A 24 ARG C A 25 ARG N A 25 ARG CA A 25 ARG C 1.0 -84.8 -44.8 PHI 21 21 A 25 ARG N A 25 ARG CA A 25 ARG C A 26 ASP N 1.0 -54.7 -14.7 PSI 22 22 A 25 ARG C A 26 ASP N A 26 ASP CA A 26 ASP C 1.0 -117.1 -46.1 PHI 23 23 A 26 ASP N A 26 ASP CA A 26 ASP C A 27 ARG N 1.0 -52.6 16.6 PSI 24 24 A 30 LYS C A 31 TYR N A 31 TYR CA A 31 TYR C 1.0 -94.4 -48.6 PHI 25 25 A 31 TYR N A 31 TYR CA A 31 TYR C A 32 TYR N 1.0 115.1 155.1 PSI 26 26 A 31 TYR C A 32 TYR N A 32 TYR CA A 32 TYR C 1.0 -93.1 -53.1 PHI 27 27 A 32 TYR N A 32 TYR CA A 32 TYR C A 33 LEU N 1.0 109.5 155.1 PSI 28 28 A 32 TYR C A 33 LEU N A 33 LEU CA A 33 LEU C 1.0 -107.8 -51.6 PHI 29 29 A 27 ARG N A 27 ARG CA A 27 ARG CB A 27 ARG CG 1.0 -90.0 -30.0 CHI1 30 30 A 28 TRP N A 28 TRP CA A 28 TRP CB A 28 TRP CG 1.0 30.0 90.0 CHI1 31 31 A 2 CYS N A 2 CYS CA A 2 CYS CB A 2 CYS SG 1.0 30.0 90.0 CHI1 32 32 A 6 PHE N A 6 PHE CA A 6 PHE CB A 6 PHE CG 1.0 -90.0 -30.0 CHI1 33 33 A 22 CYS N A 22 CYS CA A 22 CYS CB A 22 CYS SG 1.0 30.0 90.0 CHI1 34 34 A 30 LYS N A 30 LYS CA A 30 LYS CB A 30 LYS CG 1.0 150.0 210.0 CHI1 35 35 A 18 LYS N A 18 LYS CA A 18 LYS CB A 18 LYS CG 1.0 150.0 210.0 CHI1 stop_ save_