data_nef_c30422_6cku 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 6CKU stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 4 CYS SG 1 16 CYS SG 1 10 CYS SG 1 26 CYS SG 1 17 CYS SG 1 34 CYS SG 1 27 CYS SG 1 41 CYS SG 1 35 CYS SG 1 48 CYS SG 1 42 CYS SG 1 54 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 ASP start . . 2 A 2 VAL middle . . 3 A 3 GLN middle . . 4 A 4 CYS middle -HG . 5 A 5 GLY middle . false 6 A 6 GLY middle . false 7 A 7 GLY middle . false 8 A 8 PHE middle . . 9 A 9 SER middle . . 10 A 10 CYS middle -HG . 11 A 11 HIS middle . . 12 A 12 ASP middle . . 13 A 13 GLY middle . false 14 A 14 GLU middle . . 15 A 15 THR middle . . 16 A 16 CYS middle -HG . 17 A 17 CYS middle -HG . 18 A 18 PRO middle . false 19 A 19 THR middle . . 20 A 20 SER middle . . 21 A 21 GLN middle . . 22 A 22 THR middle . . 23 A 23 THR middle . . 24 A 24 TRP middle . . 25 A 25 GLY middle . false 26 A 26 CYS middle -HG . 27 A 27 CYS middle -HG . 28 A 28 PRO middle . false 29 A 29 SER middle . . 30 A 30 PRO middle . false 31 A 31 LYS middle . . 32 A 32 ALA middle . . 33 A 33 VAL middle . . 34 A 34 CYS middle -HG . 35 A 35 CYS middle -HG . 36 A 36 ASP middle . . 37 A 37 ASP middle . . 38 A 38 MET middle . . 39 A 39 GLN middle . . 40 A 40 HIS middle . . 41 A 41 CYS middle -HG . 42 A 42 CYS middle -HG . 43 A 43 PRO middle . false 44 A 44 ALA middle . . 45 A 45 GLY middle . false 46 A 46 TYR middle . . 47 A 47 LYS middle . . 48 A 48 CYS middle -HG . 49 A 49 GLY middle . false 50 A 50 PRO middle . false 51 A 51 GLY middle . false 52 A 52 GLY middle . false 53 A 53 THR middle . . 54 A 54 CYS middle -HG . 55 A 55 ILE middle . . 56 A 56 SER 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 H1 H 1 8.178 . A 1 ASP HA H 1 4.726 . A 1 ASP HBy H 1 2.657 . A 1 ASP HBx H 1 2.539 . A 1 ASP N N 15 120.541 . A 2 VAL H H 1 8.391 . A 2 VAL HA H 1 4.078 . A 2 VAL HB H 1 1.694 . A 2 VAL HGx% H 1 0.893 . A 2 VAL HGy% H 1 0.892 . A 2 VAL N N 15 121.150 . A 3 GLN H H 1 8.546 . A 3 GLN HA H 1 4.145 . A 3 GLN HBy H 1 2.034 . A 3 GLN HBx H 1 1.916 . A 3 GLN HE2x H 1 6.802 . A 3 GLN HE2y H 1 7.499 . A 3 GLN HGy H 1 2.353 . A 3 GLN HGx H 1 2.337 . A 3 GLN N N 15 124.400 . A 3 GLN NE2 N 15 112.416 . A 4 CYS H H 1 8.605 . A 4 CYS HA H 1 4.297 . A 4 CYS HBy H 1 2.061 . A 4 CYS HBx H 1 1.863 . A 4 CYS N N 15 121.353 . A 5 GLY H H 1 7.209 . A 5 GLY HAy H 1 4.099 . A 5 GLY HAx H 1 3.663 . A 5 GLY N N 15 106.728 . A 6 GLY H H 1 8.633 . A 6 GLY HAy H 1 4.181 . A 6 GLY HAx H 1 3.998 . A 6 GLY N N 15 107.939 . A 7 GLY H H 1 8.460 . A 7 GLY HAy H 1 4.166 . A 7 GLY HAx H 1 3.708 . A 7 GLY N N 15 107.337 . A 8 PHE H H 1 7.876 . A 8 PHE HA H 1 4.720 . A 8 PHE HBx H 1 3.085 . A 8 PHE HBy H 1 3.088 . A 8 PHE HDy H 1 7.548 . A 8 PHE HDx H 1 7.530 . A 8 PHE HEy H 1 7.622 . A 8 PHE HEx H 1 7.615 . A 8 PHE HZ H 1 7.622 . A 8 PHE N N 15 120.947 . A 9 SER H H 1 8.267 . A 9 SER HA H 1 5.183 . A 9 SER HBy H 1 3.667 . A 9 SER HBx H 1 3.613 . A 9 SER N N 15 118.509 . A 10 CYS H H 1 8.773 . A 10 CYS HA H 1 4.963 . A 10 CYS HBy H 1 3.696 . A 10 CYS HBx H 1 2.202 . A 10 CYS N N 15 118.103 . A 11 HIS H H 1 8.827 . A 11 HIS HA H 1 4.956 . A 11 HIS HBy H 1 3.306 . A 11 HIS HBx H 1 2.854 . A 11 HIS HD2 H 1 7.406 . A 11 HIS N N 15 119.119 . A 12 ASP H H 1 8.500 . A 12 ASP HA H 1 4.394 . A 12 ASP HBy H 1 2.714 . A 12 ASP HBx H 1 2.543 . A 12 ASP N N 15 118.713 . A 13 GLY H H 1 8.679 . A 13 GLY HAy H 1 4.219 . A 13 GLY HAx H 1 3.619 . A 13 GLY N N 15 113.431 . A 14 GLU H H 1 7.778 . A 14 GLU HA H 1 4.783 . A 14 GLU HBy H 1 2.463 . A 14 GLU HBx H 1 1.880 . A 14 GLU HGy H 1 2.132 . A 14 GLU HGx H 1 1.999 . A 14 GLU N N 15 116.681 . A 15 THR H H 1 8.689 . A 15 THR HA H 1 4.521 . A 15 THR HB H 1 3.746 . A 15 THR HG2% H 1 1.286 . A 15 THR N N 15 115.259 . A 16 CYS H H 1 8.935 . A 16 CYS HA H 1 5.192 . A 16 CYS HBy H 1 3.173 . A 16 CYS HBx H 1 2.753 . A 16 CYS N N 15 125.822 . A 17 CYS H H 1 9.252 . A 17 CYS HA H 1 5.982 . A 17 CYS HBy H 1 3.330 . A 17 CYS HBx H 1 2.493 . A 17 CYS N N 15 122.978 . A 18 PRO HA H 1 3.995 . A 18 PRO HBy H 1 1.667 . A 18 PRO HBx H 1 1.594 . A 18 PRO HDy H 1 4.042 . A 18 PRO HDx H 1 3.815 . A 18 PRO HGx H 1 1.985 . A 18 PRO HGy H 1 1.999 . A 19 THR H H 1 8.032 . A 19 THR HA H 1 4.385 . A 19 THR HB H 1 4.370 . A 19 THR HG2% H 1 1.031 . A 19 THR N N 15 110.384 . A 20 SER H H 1 8.054 . A 20 SER HA H 1 4.419 . A 20 SER HBy H 1 4.237 . A 20 SER HBx H 1 4.109 . A 20 SER N N 15 114.447 . A 21 GLN H H 1 8.802 . A 21 GLN HA H 1 4.162 . A 21 GLN HBy H 1 2.213 . A 21 GLN HBx H 1 2.151 . A 21 GLN HE2x H 1 6.871 . A 21 GLN HE2y H 1 7.552 . A 21 GLN HGx H 1 2.499 . A 21 GLN HGy H 1 2.500 . A 21 GLN N N 15 116.358 . A 21 GLN NE2 N 15 111.911 . A 22 THR H H 1 7.807 . A 22 THR HA H 1 4.733 . A 22 THR HB H 1 4.547 . A 22 THR HG2% H 1 1.131 . A 22 THR N N 15 129.072 . A 23 THR H H 1 6.589 . A 23 THR HA H 1 4.438 . A 23 THR HB H 1 3.978 . A 23 THR HG2% H 1 1.099 . A 23 THR N N 15 109.775 . A 24 TRP H H 1 6.470 . A 24 TRP HA H 1 4.868 . A 24 TRP HBy H 1 3.177 . A 24 TRP HBx H 1 2.355 . A 24 TRP HD1 H 1 6.743 . A 24 TRP HE1 H 1 10.013 . A 24 TRP HE3 H 1 7.298 . A 24 TRP HH2 H 1 7.242 . A 24 TRP HZ2 H 1 7.465 . A 24 TRP HZ3 H 1 6.940 . A 24 TRP N N 15 120.541 . A 24 TRP NE1 N 15 129.418 . A 25 GLY H H 1 9.257 . A 25 GLY HAy H 1 4.603 . A 25 GLY HAx H 1 3.705 . A 25 GLY N N 15 109.775 . A 26 CYS H H 1 8.491 . A 26 CYS HA H 1 5.523 . A 26 CYS HBy H 1 2.826 . A 26 CYS HBx H 1 2.710 . A 26 CYS N N 15 116.681 . A 27 CYS H H 1 9.788 . A 27 CYS HA H 1 5.073 . A 27 CYS HBy H 1 3.243 . A 27 CYS HBx H 1 3.127 . A 27 CYS N N 15 127.853 . A 28 PRO HA H 1 4.739 . A 28 PRO HBy H 1 2.469 . A 28 PRO HBx H 1 2.136 . A 28 PRO HDy H 1 3.904 . A 28 PRO HDx H 1 3.802 . A 28 PRO HGx H 1 1.952 . A 28 PRO HGy H 1 1.980 . A 29 SER H H 1 8.285 . A 29 SER HA H 1 4.894 . A 29 SER HBy H 1 3.778 . A 29 SER HBx H 1 3.777 . A 29 SER N N 15 118.509 . A 30 PRO HA H 1 4.207 . A 30 PRO HBy H 1 2.137 . A 30 PRO HBx H 1 2.136 . A 30 PRO HDy H 1 3.842 . A 30 PRO HDx H 1 3.827 . A 30 PRO HGx H 1 1.942 . A 30 PRO HGy H 1 1.942 . A 31 LYS H H 1 8.939 . A 31 LYS HA H 1 3.956 . A 31 LYS HBy H 1 1.949 . A 31 LYS HBx H 1 1.788 . A 31 LYS HDx H 1 1.729 . A 31 LYS HDy H 1 1.773 . A 31 LYS HEx H 1 3.042 . A 31 LYS HEy H 1 3.062 . A 31 LYS HGx H 1 1.416 . A 31 LYS HGy H 1 1.422 . A 31 LYS N N 15 123.181 . A 32 ALA H H 1 8.294 . A 32 ALA HA H 1 4.183 . A 32 ALA HB% H 1 1.310 . A 32 ALA N N 15 118.713 . A 33 VAL H H 1 8.838 . A 33 VAL HA H 1 4.077 . A 33 VAL HB H 1 1.810 . A 33 VAL HGx% H 1 0.960 . A 33 VAL HGy% H 1 1.107 . A 33 VAL N N 15 119.119 . A 34 CYS H H 1 8.808 . A 34 CYS HA H 1 4.652 . A 34 CYS HBy H 1 3.558 . A 34 CYS HBx H 1 2.891 . A 34 CYS N N 15 126.431 . A 35 CYS H H 1 8.072 . A 35 CYS HA H 1 5.029 . A 35 CYS HBy H 1 3.503 . A 35 CYS HBx H 1 2.947 . A 35 CYS N N 15 122.572 . A 36 ASP H H 1 9.171 . A 36 ASP HA H 1 4.391 . A 36 ASP HBy H 1 2.778 . A 36 ASP HBx H 1 2.774 . A 36 ASP N N 15 122.369 . A 37 ASP H H 1 7.536 . A 37 ASP HA H 1 4.358 . A 37 ASP HBy H 1 3.059 . A 37 ASP HBx H 1 2.789 . A 37 ASP N N 15 116.072 . A 38 MET H H 1 8.139 . A 38 MET HA H 1 4.121 . A 38 MET HBy H 1 2.270 . A 38 MET HBx H 1 2.049 . A 38 MET HGy H 1 2.460 . A 38 MET HGx H 1 2.446 . A 38 MET N N 15 112.416 . A 39 GLN H H 1 8.409 . A 39 GLN HA H 1 4.384 . A 39 GLN HBy H 1 1.721 . A 39 GLN HBx H 1 1.554 . A 39 GLN HE2x H 1 6.759 . A 39 GLN HE2y H 1 7.340 . A 39 GLN HGy H 1 2.216 . A 39 GLN HGx H 1 2.045 . A 39 GLN N N 15 114.244 . A 39 GLN NE2 N 15 110.994 . A 40 HIS H H 1 8.515 . A 40 HIS HA H 1 5.013 . A 40 HIS HBy H 1 3.550 . A 40 HIS HBx H 1 3.092 . A 40 HIS HD2 H 1 7.457 . A 40 HIS N N 15 115.666 . A 41 CYS H H 1 8.812 . A 41 CYS HA H 1 5.600 . A 41 CYS HBy H 1 3.965 . A 41 CYS HBx H 1 3.075 . A 41 CYS N N 15 117.291 . A 42 CYS H H 1 9.422 . A 42 CYS HA H 1 5.503 . A 42 CYS HBy H 1 2.878 . A 42 CYS HBx H 1 2.303 . A 42 CYS N N 15 119.322 . A 43 PRO HA H 1 4.405 . A 43 PRO HBy H 1 2.322 . A 43 PRO HBx H 1 1.829 . A 43 PRO HDy H 1 3.851 . A 43 PRO HDx H 1 2.878 . A 43 PRO HGy H 1 1.770 . A 43 PRO HGx H 1 1.584 . A 44 ALA H H 1 8.502 . A 44 ALA HA H 1 4.153 . A 44 ALA HB% H 1 1.456 . A 44 ALA N N 15 120.134 . A 45 GLY H H 1 8.700 . A 45 GLY HAy H 1 4.284 . A 45 GLY HAx H 1 3.610 . A 45 GLY N N 15 109.369 . A 46 TYR H H 1 8.211 . A 46 TYR HA H 1 4.780 . A 46 TYR HBy H 1 3.326 . A 46 TYR HBx H 1 2.834 . A 46 TYR HDx H 1 6.933 . A 46 TYR HEx H 1 6.826 . A 46 TYR N N 15 120.338 . A 47 LYS H H 1 9.250 . A 47 LYS HA H 1 4.679 . A 47 LYS HBx H 1 1.803 . A 47 LYS HBy H 1 1.813 . A 47 LYS HDy H 1 1.642 . A 47 LYS HDx H 1 1.611 . A 47 LYS HEx H 1 2.952 . A 47 LYS HEy H 1 2.968 . A 47 LYS HGy H 1 1.454 . A 47 LYS HGx H 1 1.428 . A 47 LYS N N 15 117.291 . A 48 CYS H H 1 8.718 . A 48 CYS HA H 1 5.140 . A 48 CYS HBy H 1 3.556 . A 48 CYS HBx H 1 3.035 . A 48 CYS N N 15 119.728 . A 49 GLY H H 1 8.839 . A 49 GLY HAy H 1 4.594 . A 49 GLY HAx H 1 3.556 . A 49 GLY N N 15 113.837 . A 50 PRO HA H 1 4.514 . A 50 PRO HBy H 1 2.348 . A 50 PRO HBx H 1 1.931 . A 50 PRO HDy H 1 3.658 . A 50 PRO HDx H 1 3.472 . A 50 PRO HGx H 1 2.060 . A 50 PRO HGy H 1 2.060 . A 51 GLY H H 1 9.104 . A 51 GLY HAy H 1 4.729 . A 51 GLY HAx H 1 3.891 . A 51 GLY N N 15 112.009 . A 52 GLY H H 1 8.283 . A 52 GLY HAy H 1 3.443 . A 52 GLY HAx H 1 3.108 . A 52 GLY N N 15 106.322 . A 53 THR H H 1 6.767 . A 53 THR HA H 1 4.367 . A 53 THR HB H 1 4.152 . A 53 THR HG2% H 1 1.241 . A 53 THR N N 15 109.166 . A 54 CYS H H 1 8.645 . A 54 CYS HA H 1 5.678 . A 54 CYS HBy H 1 2.765 . A 54 CYS HBx H 1 2.761 . A 54 CYS N N 15 120.744 . A 55 ILE H H 1 9.664 . A 55 ILE HA H 1 4.772 . A 55 ILE HB H 1 2.025 . A 55 ILE HD1% H 1 0.881 . A 55 ILE HG1y H 1 1.453 . A 55 ILE HG1x H 1 1.051 . A 55 ILE HG2% H 1 1.015 . A 55 ILE N N 15 122.978 . A 56 SER H H 1 8.187 . A 56 SER HA H 1 4.107 . A 56 SER HBy H 1 3.635 . A 56 SER HBx H 1 3.436 . A 56 SER N N 15 123.994 . stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 27 CYS H A 26 CYS HBy 1.0 1.8 5.0 2 2 A 27 CYS H A 26 CYS HBx 1.0 1.8 5.0 3 3 A 27 CYS H A 26 CYS HA 1.0 1.8 5.0 4 4 A 26 CYS H A 25 GLY HAy 1.0 1.8 5.0 5 5 A 26 CYS H A 25 GLY HAx 1.0 1.8 5.0 6 6 A 27 CYS H A 15 THR HB 1.0 1.8 5.0 7 7 A 27 CYS H A 15 THR HG2% 1.0 1.8 5.0 8 8 A 16 CYS H A 15 THR HA 1.0 1.8 5.0 9 9 A 15 THR HB A 16 CYS H 1.0 1.8 5.0 10 10 A 15 THR HG2% A 16 CYS H 1.0 1.8 5.0 11 11 A 17 CYS H A 16 CYS HA 1.0 1.8 5.0 12 12 A 17 CYS H A 16 CYS HBx 1.0 1.8 5.0 13 13 A 25 GLY H A 24 TRP HBy 1.0 1.8 5.0 14 14 A 15 THR H A 14 GLU HA 1.0 1.8 5.0 15 15 A 15 THR H A 14 GLU HGy 1.0 1.8 5.0 16 16 A 15 THR H A 14 GLU HGx 1.0 1.8 5.0 17 17 A 15 THR H A 14 GLU HBy 1.0 1.8 5.0 18 18 A 15 THR H A 14 GLU HBx 1.0 1.8 5.0 19 19 A 13 GLY H A 12 ASP HBx 1.0 1.8 5.0 20 20 A 13 GLY H A 12 ASP HBy 1.0 1.8 5.0 21 21 A 14 GLU H A 13 GLY HAx 1.0 1.8 5.0 22 22 A 14 GLU H A 13 GLY HAy 1.0 1.8 5.0 23 23 A 14 GLU H A 12 ASP HA 1.0 1.8 5.0 24 24 A 4 CYS H A 5 GLY HAx 1.0 1.8 5.0 25 24 A 4 CYS H A 56 SER HBy 1.0 1.8 5.0 26 24 A 4 CYS H A 9 SER HBx 1.0 1.8 5.0 27 25 A 13 GLY H A 12 ASP HA 1.0 1.8 5.0 28 26 A 56 SER H A 55 ILE HB 1.0 1.8 5.0 29 27 A 56 SER H A 55 ILE HD1% 1.0 1.8 5.0 30 28 A 56 SER H A 55 ILE HG2% 1.0 1.8 5.0 31 29 A 55 ILE H A 54 CYS HBy 1.0 1.8 5.0 32 30 A 55 ILE H A 54 CYS HA 1.0 1.8 5.0 33 31 A 54 CYS H A 53 THR HB 1.0 1.8 5.0 34 32 A 54 CYS H A 53 THR HA 1.0 1.8 5.0 35 33 A 54 CYS H A 53 THR HG2% 1.0 1.8 5.0 36 34 A 53 THR H A 52 GLY HAy 1.0 1.8 5.0 37 35 A 53 THR H A 52 GLY HAx 1.0 1.8 5.0 38 36 A 52 GLY H A 51 GLY HAy 1.0 1.8 5.0 39 37 A 52 GLY H A 51 GLY HAx 1.0 1.8 5.0 40 38 A 48 CYS H A 47 LYS HA 1.0 1.8 5.0 41 39 A 55 ILE HB A 47 LYS H 1.0 1.8 5.0 42 40 A 49 GLY H A 48 CYS HA 1.0 1.8 5.0 43 41 A 33 VAL H A 32 ALA HA 1.0 1.8 5.0 44 42 A 48 CYS H A 47 LYS HBx 1.0 1.8 5.0 45 43 A 48 CYS H A 47 LYS HDy 1.0 1.8 5.0 46 44 A 54 CYS HA A 49 GLY H 1.0 1.8 5.0 47 45 A 53 THR H A 49 GLY H 1.0 1.8 5.0 48 46 A 55 ILE H A 48 CYS HA 1.0 1.8 5.0 49 47 A 34 CYS H A 33 VAL HGx% 1.0 1.8 5.0 50 48 A 45 GLY H A 33 VAL HGy% 1.0 1.8 5.0 51 49 A 34 CYS H A 33 VAL HGy% 1.0 1.8 5.0 52 50 A 33 VAL H A 32 ALA HB% 1.0 1.8 5.0 53 51 A 34 CYS H A 33 VAL HA 1.0 1.8 5.0 54 52 A 42 CYS H A 41 CYS HA 1.0 1.8 5.0 55 53 A 42 CYS H A 41 CYS HBy 1.0 1.8 5.0 56 54 A 42 CYS H A 41 CYS HBx 1.0 1.8 5.0 57 55 A 2 VAL H A 1 ASP HA 1.0 1.8 5.0 58 56 A 2 VAL H A 1 ASP HBy 1.0 1.8 5.0 59 57 A 2 VAL H A 1 ASP HBx 1.0 1.8 5.0 60 58 A 3 GLN H A 2 VAL HA 1.0 1.8 5.0 61 59 A 37 ASP H A 36 ASP HA 1.0 1.8 5.0 62 60 A 3 GLN H A 2 VAL HB 1.0 1.8 5.0 63 61 A 12 ASP H A 11 HIS HBy 1.0 1.8 5.0 64 62 A 12 ASP H A 11 HIS HBx 1.0 1.8 5.0 65 63 A 12 ASP H A 11 HIS HA 1.0 1.8 5.0 66 64 A 2 VAL H A 11 HIS HA 1.0 1.8 5.0 67 65 A 2 VAL HB A 10 CYS H 1.0 1.8 5.0 68 66 A 11 HIS H A 10 CYS HBx 1.0 1.8 5.0 69 67 A 11 HIS H A 10 CYS HBy 1.0 1.8 5.0 70 68 A 10 CYS H A 9 SER HA 1.0 1.8 5.0 71 69 A 15 THR H A 27 CYS HBy 1.0 1.8 5.0 72 70 A 4 CYS H A 3 GLN HA 1.0 1.8 5.0 73 71 A 9 SER H A 8 PHE HA 1.0 1.8 5.0 74 72 A 9 SER H A 8 PHE HBy 1.0 1.8 5.0 75 73 A 8 PHE H A 7 GLY HAx 1.0 1.8 5.0 76 74 A 8 PHE H A 7 GLY HAy 1.0 1.8 5.0 77 75 A 47 LYS H A 46 TYR HBx 1.0 1.8 5.0 78 76 A 47 LYS H A 46 TYR HA 1.0 1.8 5.0 79 77 A 46 TYR H A 45 GLY HAy 1.0 1.8 5.0 80 78 A 46 TYR H A 45 GLY HAx 1.0 1.8 5.0 81 79 A 45 GLY H A 44 ALA HA 1.0 1.8 5.0 82 80 A 45 GLY H A 44 ALA HB% 1.0 1.8 5.0 83 81 A 5 GLY H A 3 GLN HBy 1.0 1.8 5.0 84 81 A 5 GLY H A 18 PRO HGy 1.0 1.8 5.0 85 81 A 5 GLY H A 38 MET HBx 1.0 1.8 5.0 86 81 A 55 ILE HB A 5 GLY H 1.0 1.8 5.0 87 81 A 5 GLY H A 18 PRO HGx 1.0 1.8 5.0 88 82 A 5 GLY H A 4 CYS HBx 1.0 1.8 5.0 89 83 A 5 GLY H A 4 CYS HA 1.0 1.8 5.0 90 84 A 7 GLY H A 6 GLY HAx 1.0 1.8 5.0 91 85 A 5 GLY HAx A 6 GLY H 1.0 1.8 5.0 92 86 A 40 HIS H A 39 GLN HBx 1.0 1.8 5.0 93 87 A 40 HIS H A 39 GLN HBy 1.0 1.8 5.0 94 88 A 40 HIS H A 39 GLN HGx 1.0 1.8 5.0 95 89 A 40 HIS H A 39 GLN HGy 1.0 1.8 5.0 96 90 A 41 CYS H A 40 HIS HA 1.0 1.8 5.0 97 91 A 42 CYS H A 33 VAL HB 1.0 1.8 5.0 98 92 A 32 ALA HB% A 42 CYS H 1.0 1.8 5.0 99 93 A 33 VAL HGy% A 42 CYS H 1.0 1.8 5.0 100 94 A 33 VAL HGx% A 42 CYS H 1.0 1.8 5.0 101 95 A 19 THR H A 18 PRO HA 1.0 1.8 5.0 102 95 A 19 THR H A 23 THR HB 1.0 1.8 5.0 103 95 A 41 CYS HBy A 19 THR H 1.0 1.8 5.0 104 96 A 22 THR H A 20 SER HA 1.0 1.8 5.0 105 97 A 22 THR H A 20 SER HBy 1.0 1.8 5.0 106 98 A 22 THR H A 20 SER HBx 1.0 1.8 5.0 107 99 A 19 THR H A 18 PRO HBx 1.0 1.8 5.0 108 100 A 19 THR H A 18 PRO HBy 1.0 1.8 5.0 109 101 A 49 GLY H A 48 CYS HBx 1.0 1.8 5.0 110 102 A 41 CYS HA A 35 CYS H 1.0 1.8 5.0 111 103 A 36 ASP H A 35 CYS HA 1.0 1.8 5.0 112 104 A 36 ASP H A 35 CYS HBy 1.0 1.8 5.0 113 105 A 36 ASP H A 35 CYS HBx 1.0 1.8 5.0 114 106 A 38 MET H A 19 THR HB 1.0 1.8 5.0 115 106 A 38 MET H A 37 ASP HA 1.0 1.8 5.0 116 106 A 38 MET H A 39 GLN HA 1.0 1.8 5.0 117 107 A 38 MET H A 37 ASP HBx 1.0 1.8 5.0 118 108 A 35 CYS HBx A 38 MET H 1.0 1.8 5.0 119 109 A 37 ASP H A 35 CYS HBx 1.0 1.8 5.0 120 110 A 37 ASP H A 35 CYS HBy 1.0 1.8 5.0 121 111 A 39 GLN H A 38 MET HA 1.0 1.8 5.0 122 112 A 25 GLY H A 24 TRP HBx 1.0 1.8 5.0 123 113 A 25 GLY H A 24 TRP HA 1.0 1.8 5.0 124 114 A 24 TRP H A 23 THR HA 1.0 1.8 5.0 125 115 A 23 THR HB A 24 TRP H 1.0 1.8 5.0 126 116 A 24 TRP H A 23 THR HG2% 1.0 1.8 5.0 127 117 A 25 GLY H A 18 PRO HA 1.0 1.8 5.0 128 118 A 15 THR H A 27 CYS HBx 1.0 1.8 5.0 129 119 A 27 CYS H A 15 THR H 1.0 1.8 5.0 130 120 A 27 CYS H A 15 THR H 1.0 1.8 5.0 131 121 A 3 GLN H A 2 VAL HGx% 1.0 1.8 5.0 132 122 A 17 CYS H A 16 CYS HBy 1.0 1.8 5.0 133 123 A 23 THR H A 22 THR HB 1.0 1.8 5.0 134 124 A 23 THR H A 22 THR HA 1.0 1.8 5.0 135 125 A 19 THR H A 24 TRP HA 1.0 1.8 5.0 136 126 A 35 CYS H A 34 CYS HA 1.0 1.8 5.0 137 127 A 44 ALA H A 43 PRO HBy 1.0 1.8 5.0 138 128 A 51 GLY H A 50 PRO HA 1.0 1.8 5.0 139 129 A 24 TRP HD1 A 8 PHE HDx 1.0 1.8 5.0 140 130 A 23 THR HB A 8 PHE HDx 1.0 1.8 5.0 141 130 A 8 PHE HDx A 31 LYS HA 1.0 1.8 5.0 142 130 A 6 GLY HAx A 8 PHE HDy 1.0 1.8 5.0 143 130 A 31 LYS HA A 8 PHE HDy 1.0 1.8 5.0 144 130 A 23 THR HB A 21 GLN HE2y 1.0 1.8 5.0 145 130 A 6 GLY HAx A 8 PHE HDx 1.0 1.8 5.0 146 130 A 23 THR HB A 8 PHE HDy 1.0 1.8 5.0 147 130 A 37 ASP H A 23 THR HB 1.0 1.8 5.0 148 131 A 23 THR HA A 8 PHE HZ 1.0 1.8 5.0 149 132 A 2 VAL H A 10 CYS HBy 1.0 1.8 5.0 150 133 A 9 SER HBx A 2 VAL H 1.0 1.8 5.0 151 134 A 2 VAL H A 10 CYS H 1.0 1.8 5.0 152 135 A 2 VAL H A 10 CYS H 1.0 1.8 5.0 153 136 A 41 CYS HBy A 32 ALA H 1.0 1.8 5.0 154 136 A 31 LYS HA A 32 ALA H 1.0 1.8 5.0 155 136 A 28 PRO HDy A 32 ALA H 1.0 1.8 5.0 156 136 A 31 LYS HA A 29 SER H 1.0 1.8 5.0 157 136 A 29 SER H A 28 PRO HDy 1.0 1.8 5.0 158 137 A 31 LYS H A 30 PRO HBy 1.0 1.8 5.0 159 138 A 4 CYS H A 9 SER HA 1.0 1.8 5.0 160 139 A 4 CYS H A 5 GLY H 1.0 1.8 5.0 161 140 A 4 CYS H A 5 GLY H 1.0 1.8 5.0 162 141 A 8 PHE H A 7 GLY H 1.0 1.8 5.0 163 142 A 8 PHE H A 7 GLY H 1.0 1.8 5.0 164 143 A 8 PHE H A 5 GLY H 1.0 1.8 5.0 165 144 A 8 PHE H A 5 GLY H 1.0 1.8 5.0 166 145 A 13 GLY H A 14 GLU H 1.0 1.8 5.0 167 146 A 13 GLY H A 14 GLU H 1.0 1.8 5.0 168 147 A 14 GLU H A 2 VAL HGy% 1.0 1.8 5.0 169 148 A 27 CYS H A 16 CYS HA 1.0 1.8 5.0 170 149 A 26 CYS HA A 17 CYS H 1.0 1.8 5.0 171 150 A 23 THR H A 20 SER H 1.0 1.8 5.0 172 151 A 23 THR H A 20 SER H 1.0 1.8 5.0 173 152 A 22 THR H A 23 THR H 1.0 1.8 5.0 174 153 A 22 THR H A 23 THR H 1.0 1.8 5.0 175 154 A 22 THR H A 20 SER H 1.0 1.8 5.0 176 155 A 22 THR H A 20 SER H 1.0 1.8 5.0 177 156 A 32 ALA H A 31 LYS H 1.0 1.8 5.0 178 157 A 32 ALA H A 31 LYS H 1.0 1.8 5.0 179 158 A 33 VAL H A 43 PRO HA 1.0 1.8 5.0 180 159 A 33 VAL H A 42 CYS H 1.0 1.8 5.0 181 160 A 33 VAL H A 42 CYS H 1.0 1.8 5.0 182 161 A 33 VAL H A 42 CYS HBx 1.0 1.8 5.0 183 162 A 40 HIS H A 35 CYS HBx 1.0 1.8 5.0 184 163 A 37 ASP H A 36 ASP H 1.0 1.8 5.0 185 164 A 37 ASP H A 36 ASP H 1.0 1.8 5.0 186 165 A 37 ASP H A 38 MET H 1.0 1.8 5.0 187 166 A 37 ASP H A 38 MET H 1.0 1.8 5.0 188 167 A 38 MET H A 39 GLN H 1.0 1.8 5.0 189 168 A 38 MET H A 39 GLN H 1.0 1.8 5.0 190 169 A 46 TYR H A 44 ALA HA 1.0 1.8 5.0 191 170 A 45 GLY H A 46 TYR H 1.0 1.8 5.0 192 171 A 45 GLY H A 46 TYR H 1.0 1.8 5.0 193 172 A 55 ILE H A 47 LYS H 1.0 1.8 5.0 194 173 A 55 ILE H A 47 LYS H 1.0 1.8 5.0 195 174 A 53 THR H A 49 GLY H 1.0 1.8 5.0 196 175 A 53 THR H A 52 GLY H 1.0 1.8 5.0 197 176 A 53 THR H A 52 GLY H 1.0 1.8 5.0 198 177 A 47 LYS H A 46 TYR HDx 1.0 1.8 5.0 199 178 A 47 LYS H A 46 TYR HDx 1.0 1.8 5.0 200 179 A 25 GLY H A 24 TRP HE3 1.0 1.8 5.0 201 180 A 25 GLY H A 19 THR H 1.0 1.8 5.0 202 181 A 25 GLY H A 19 THR H 1.0 1.8 5.0 203 182 A 47 LYS H A 46 TYR H 1.0 1.8 5.0 204 182 A 56 SER H A 47 LYS H 1.0 1.8 5.0 205 183 A 24 TRP HE1 A 5 GLY HAy 1.0 1.8 5.0 206 184 A 5 GLY HAx A 24 TRP HE1 1.0 1.8 5.0 207 185 A 18 PRO HA A 24 TRP HE1 1.0 1.8 5.0 208 186 A 55 ILE H A 46 TYR HBy 1.0 1.8 5.0 209 187 A 25 GLY H A 19 THR HG2% 1.0 1.8 5.0 210 188 A 14 GLU HGy A 11 HIS H 1.0 1.8 5.0 211 189 A 48 CYS H A 33 VAL HGx% 1.0 1.8 5.0 212 190 A 13 GLY H A 2 VAL HGy% 1.0 1.8 5.0 213 191 A 4 CYS H A 8 PHE HBx 1.0 1.8 5.0 214 192 A 4 CYS H A 3 GLN HGy 1.0 1.8 5.0 215 193 A 33 VAL HGy% A 46 TYR H 1.0 1.8 5.0 216 194 A 46 TYR H A 44 ALA HB% 1.0 1.8 5.0 217 195 A 46 TYR H A 33 VAL HB 1.0 1.8 5.0 218 196 A 32 ALA HB% A 44 ALA H 1.0 1.8 5.0 219 197 A 22 THR H A 21 GLN HGx 1.0 1.8 5.0 220 198 A 22 THR H A 21 GLN HBx 1.0 1.8 5.0 221 199 A 10 CYS H A 2 VAL HGy% 1.0 1.8 5.0 222 200 A 18 PRO HBx A 24 TRP HE1 1.0 1.8 5.0 223 201 A 18 PRO HBy A 24 TRP HE1 1.0 1.8 5.0 224 202 A 55 ILE H A 46 TYR HDx 1.0 1.8 5.0 225 203 A 55 ILE H A 46 TYR HDx 1.0 1.8 5.0 226 204 A 42 CYS H A 35 CYS H 1.0 1.8 5.0 227 205 A 42 CYS H A 35 CYS H 1.0 1.8 5.0 228 206 A 54 CYS HA A 47 LYS H 1.0 1.8 5.0 229 207 A 16 CYS H A 2 VAL HGx% 1.0 1.8 5.0 230 208 A 39 GLN H A 40 HIS HBy 1.0 1.8 5.0 231 209 A 35 CYS HBx A 39 GLN H 1.0 1.8 5.0 232 210 A 39 GLN H A 40 HIS HBx 1.0 1.8 5.0 233 211 A 9 SER H A 8 PHE HDx 1.0 1.8 5.0 234 212 A 9 SER H A 8 PHE HDx 1.0 1.8 5.0 235 213 A 52 GLY H A 51 GLY H 1.0 1.8 5.0 236 214 A 8 PHE H A 4 CYS HBy 1.0 1.8 5.0 237 215 A 8 PHE H A 4 CYS HBx 1.0 1.8 5.0 238 216 A 8 PHE H A 24 TRP HBx 1.0 1.8 5.0 239 217 A 10 CYS H A 3 GLN HA 1.0 1.8 5.0 240 218 A 1 ASP HBy A 10 CYS H 1.0 1.8 5.0 241 219 A 14 GLU HGx A 11 HIS H 1.0 1.8 5.0 242 220 A 14 GLU HGy A 11 HIS H 1.0 1.8 5.0 243 221 A 14 GLU HBx A 11 HIS H 1.0 1.8 5.0 244 222 A 26 CYS HA A 15 THR H 1.0 1.8 5.0 245 223 A 47 LYS H A 56 SER HA 1.0 1.8 5.0 246 224 A 27 CYS H A 14 GLU HBx 1.0 1.8 5.0 247 224 A 27 CYS H A 43 PRO HBx 1.0 1.8 5.0 248 225 A 27 CYS HBy A 32 ALA H 1.0 1.8 5.0 249 225 A 27 CYS HBy A 29 SER H 1.0 1.8 5.0 250 226 A 35 CYS HBy A 38 MET H 1.0 1.8 5.0 251 227 A 40 HIS HA A 39 GLN H 1.0 1.8 5.0 252 228 A 46 TYR H A 42 CYS HBx 1.0 1.8 5.0 253 229 A 53 THR H A 51 GLY HAx 1.0 1.8 5.0 254 230 A 56 SER H A 31 LYS HGx 1.0 1.8 5.0 255 230 A 56 SER H A 31 LYS HGy 1.0 1.8 5.0 256 230 A 56 SER H A 47 LYS HGx 1.0 1.8 5.0 257 230 A 56 SER H A 44 ALA HB% 1.0 1.8 5.0 258 230 A 56 SER H A 47 LYS HGy 1.0 1.8 5.0 259 230 A 1 ASP H1 A 55 ILE HG1y 1.0 1.8 5.0 260 230 A 56 SER H A 55 ILE HG1y 1.0 1.8 5.0 261 231 A 24 TRP H A 8 PHE HDx 1.0 1.8 5.0 262 231 A 24 TRP H A 8 PHE HDy 1.0 1.8 5.0 263 231 A 24 TRP H A 21 GLN HE2y 1.0 1.8 5.0 264 231 A 37 ASP H A 24 TRP H 1.0 1.8 5.0 265 232 A 35 CYS H A 42 CYS HBx 1.0 1.8 5.0 266 232 A 35 CYS H A 38 MET HBy 1.0 1.8 5.0 267 232 A 20 SER H A 42 CYS HBx 1.0 1.8 5.0 268 232 A 20 SER H A 38 MET HBy 1.0 1.8 5.0 269 233 A 55 ILE H A 46 TYR HBx 1.0 1.8 5.0 270 233 A 55 ILE H A 37 ASP HBx 1.0 1.8 5.0 271 234 A 55 ILE H A 49 GLY H 1.0 1.8 5.0 272 235 A 55 ILE H A 49 GLY H 1.0 1.8 5.0 273 236 A 53 THR H A 48 CYS HA 1.0 1.8 5.0 274 237 A 4 CYS H A 8 PHE H 1.0 1.8 5.0 275 238 A 4 CYS H A 8 PHE H 1.0 1.8 5.0 276 239 A 18 PRO HBy A 35 CYS H 1.0 1.8 5.0 277 239 A 39 GLN HBy A 35 CYS H 1.0 1.8 5.0 278 239 A 39 GLN HBy A 20 SER H 1.0 1.8 5.0 279 239 A 18 PRO HBy A 20 SER H 1.0 1.8 5.0 280 240 A 24 TRP HA A 20 SER H 1.0 1.8 5.0 281 241 A 20 SER HBy A 23 THR H 1.0 1.8 5.0 282 241 A 13 GLY HAy A 23 THR H 1.0 1.8 5.0 283 242 A 37 ASP H A 35 CYS HA 1.0 1.8 5.0 284 243 A 40 HIS H A 38 MET H 1.0 1.8 5.0 285 244 A 15 THR HA A 53 THR H 1.0 1.8 5.0 286 245 A 52 GLY H A 50 PRO HA 1.0 1.8 5.0 287 245 A 15 THR HA A 52 GLY H 1.0 1.8 5.0 288 245 A 50 PRO HA A 32 ALA H 1.0 1.8 5.0 289 245 A 15 THR HA A 32 ALA H 1.0 1.8 5.0 290 246 A 38 MET H A 8 PHE HBx 1.0 1.8 5.0 291 246 A 38 MET H A 31 LYS HEy 1.0 1.8 5.0 292 246 A 38 MET H A 31 LYS HEx 1.0 1.8 5.0 293 246 A 38 MET H A 8 PHE HBy 1.0 1.8 5.0 294 246 A 38 MET H A 37 ASP HBy 1.0 1.8 5.0 295 246 A 41 CYS HBx A 38 MET H 1.0 1.8 5.0 296 246 A 38 MET H A 40 HIS HBx 1.0 1.8 5.0 297 247 A 11 HIS H A 40 HIS HD2 1.0 1.8 5.0 298 247 A 41 CYS H A 40 HIS HD2 1.0 1.8 5.0 299 247 A 34 CYS H A 40 HIS HD2 1.0 1.8 5.0 300 247 A 21 GLN H A 24 TRP HZ2 1.0 1.8 5.0 301 247 A 21 GLN H A 40 HIS HD2 1.0 1.8 5.0 302 248 A 21 GLN H A 24 TRP HZ2 1.0 1.8 5.0 303 248 A 11 HIS H A 40 HIS HD2 1.0 1.8 5.0 304 248 A 41 CYS H A 40 HIS HD2 1.0 1.8 5.0 305 248 A 34 CYS H A 40 HIS HD2 1.0 1.8 5.0 306 248 A 21 GLN H A 40 HIS HD2 1.0 1.8 5.0 307 249 A 48 CYS H A 46 TYR HDx 1.0 1.8 5.0 308 249 A 45 GLY H A 46 TYR HDx 1.0 1.8 5.0 309 250 A 27 CYS H A 25 GLY H 1.0 1.8 5.0 310 250 A 27 CYS H A 17 CYS H 1.0 1.8 5.0 311 251 A 27 CYS H A 25 GLY H 1.0 1.8 5.0 312 251 A 27 CYS H A 17 CYS H 1.0 1.8 5.0 313 252 A 27 CYS H A 21 GLN HGy 1.0 1.8 5.0 314 252 A 27 CYS H A 21 GLN HGx 1.0 1.8 5.0 315 252 A 27 CYS H A 17 CYS HBx 1.0 1.8 5.0 316 252 A 27 CYS H A 28 PRO HBy 1.0 1.8 5.0 317 253 A 42 CYS H A 34 CYS HA 1.0 1.8 5.0 318 254 A 55 ILE H A 47 LYS HBx 1.0 1.8 5.0 319 254 A 55 ILE H A 43 PRO HBx 1.0 1.8 5.0 320 254 A 55 ILE H A 33 VAL HB 1.0 1.8 5.0 321 254 A 55 ILE H A 47 LYS HBy 1.0 1.8 5.0 322 254 A 55 ILE H A 31 LYS HBx 1.0 1.8 5.0 323 255 A 55 ILE H A 47 LYS HDx 1.0 1.8 5.0 324 255 A 55 ILE H A 47 LYS HDy 1.0 1.8 5.0 325 255 A 55 ILE H A 18 PRO HBx 1.0 1.8 5.0 326 255 A 55 ILE H A 43 PRO HGx 1.0 1.8 5.0 327 256 A 54 CYS HBy A 47 LYS H 1.0 1.8 5.0 328 257 A 25 GLY HAx A 14 GLU H 1.0 1.8 5.0 329 257 A 14 GLU H A 9 SER HBy 1.0 1.8 5.0 330 257 A 14 GLU H A 50 PRO HDy 1.0 1.8 5.0 331 258 A 14 GLU H A 11 HIS H 1.0 1.8 5.0 332 258 A 14 GLU H A 21 GLN H 1.0 1.8 5.0 333 259 A 14 GLU H A 33 VAL H 1.0 1.8 5.0 334 259 A 14 GLU H A 11 HIS H 1.0 1.8 5.0 335 259 A 14 GLU H A 21 GLN H 1.0 1.8 5.0 336 259 A 14 GLU H A 10 CYS H 1.0 1.8 5.0 337 260 A 14 GLU H A 42 CYS HBy 1.0 1.8 5.0 338 260 A 14 GLU H A 43 PRO HDx 1.0 1.8 5.0 339 260 A 14 GLU H A 11 HIS HBx 1.0 1.8 5.0 340 260 A 26 CYS HBy A 14 GLU H 1.0 1.8 5.0 341 261 A 33 VAL HGy% A 42 CYS HBx 1.0 1.8 5.0 342 261 A 33 VAL HGy% A 38 MET HBy 1.0 1.8 5.0 343 261 A 23 THR HG2% A 38 MET HBy 1.0 1.8 5.0 344 262 A 17 CYS HA A 34 CYS HBx 1.0 1.8 5.0 345 263 A 17 CYS HA A 34 CYS HBy 1.0 1.8 5.0 346 264 A 26 CYS HA A 16 CYS HA 1.0 1.8 5.0 347 265 A 26 CYS HA A 16 CYS HA 1.0 1.8 5.0 348 266 A 54 CYS HA A 48 CYS HA 1.0 1.8 5.0 349 267 A 54 CYS HA A 42 CYS HBx 1.0 1.8 5.0 350 268 A 54 CYS HA A 42 CYS HBy 1.0 1.8 5.0 351 269 A 42 CYS HA A 54 CYS HBx 1.0 1.8 5.0 352 270 A 9 SER HA A 3 GLN HA 1.0 1.8 5.0 353 271 A 9 SER HA A 3 GLN HA 1.0 1.8 5.0 354 272 A 32 ALA HA A 33 VAL HGy% 1.0 1.8 5.0 355 273 A 24 TRP HBy A 4 CYS HA 1.0 1.8 5.0 356 273 A 4 CYS HA A 16 CYS HBy 1.0 1.8 5.0 357 274 A 16 CYS HBx A 4 CYS HA 1.0 1.8 5.0 358 275 A 17 CYS HA A 18 PRO HDy 1.0 1.8 5.0 359 276 A 17 CYS HA A 18 PRO HDx 1.0 1.8 5.0 360 277 A 42 CYS HA A 43 PRO HDy 1.0 1.8 5.0 361 278 A 28 PRO HDy A 27 CYS HA 1.0 1.8 5.0 362 279 A 27 CYS HA A 28 PRO HDx 1.0 1.8 5.0 363 280 A 28 PRO HDy A 27 CYS HA 1.0 1.8 5.0 364 281 A 27 CYS HA A 28 PRO HDx 1.0 1.8 5.0 365 282 A 17 CYS HA A 18 PRO HDy 1.0 1.8 5.0 366 283 A 17 CYS HA A 18 PRO HDx 1.0 1.8 5.0 367 284 A 42 CYS HA A 43 PRO HDy 1.0 1.8 5.0 368 285 A 26 CYS HBx A 10 CYS HA 1.0 1.8 5.0 369 286 A 26 CYS HA A 10 CYS HBy 1.0 1.8 5.0 370 287 A 33 VAL HGx% A 42 CYS HBy 1.0 1.8 5.0 371 288 A 33 VAL HGy% A 42 CYS HBy 1.0 1.8 5.0 372 289 A 33 VAL HGy% A 42 CYS HBx 1.0 1.8 5.0 373 290 A 33 VAL HGx% A 42 CYS HBx 1.0 1.8 5.0 374 291 A 41 CYS HA A 34 CYS HA 1.0 1.8 5.0 375 292 A 41 CYS HA A 34 CYS HBx 1.0 1.8 5.0 376 293 A 41 CYS HA A 34 CYS HBy 1.0 1.8 5.0 377 293 A 41 CYS HA A 40 HIS HBy 1.0 1.8 5.0 378 294 A 18 PRO HA A 24 TRP HA 1.0 1.8 5.0 379 295 A 18 PRO HA A 24 TRP HA 1.0 1.8 5.0 380 296 A 46 TYR HA A 56 SER HA 1.0 1.8 5.0 381 297 A 46 TYR HA A 56 SER HA 1.0 1.8 5.0 382 298 A 29 SER HA A 30 PRO HDy 1.0 1.8 5.0 383 299 A 50 PRO HDx A 49 GLY HAy 1.0 1.8 5.0 384 300 A 50 PRO HDy A 49 GLY HAy 1.0 1.8 5.0 385 301 A 50 PRO HDx A 49 GLY HAy 1.0 1.8 5.0 386 302 A 24 TRP HD1 A 8 PHE HDx 1.0 1.8 5.0 387 303 A 24 TRP HD1 A 8 PHE HDx 1.0 1.8 5.0 388 304 A 15 THR HB A 27 CYS HBx 1.0 1.8 5.0 389 305 A 15 THR HB A 27 CYS HBy 1.0 1.8 5.0 390 306 A 15 THR HB A 27 CYS HBy 1.0 1.8 5.0 391 307 A 15 THR HB A 27 CYS HBx 1.0 1.8 5.0 392 308 A 15 THR HG2% A 27 CYS HBy 1.0 1.8 5.0 393 309 A 32 ALA HB% A 41 CYS HBy 1.0 1.8 5.0 394 310 A 32 ALA HB% A 41 CYS HBx 1.0 1.8 5.0 395 311 A 32 ALA HB% A 27 CYS HBy 1.0 1.8 5.0 396 312 A 32 ALA HB% A 27 CYS HBx 1.0 1.8 5.0 397 313 A 15 THR HB A 32 ALA HB% 1.0 1.8 5.0 398 314 A 32 ALA HB% A 43 PRO HA 1.0 1.8 5.0 399 315 A 14 GLU HBy A 10 CYS HBy 1.0 1.8 5.0 400 316 A 14 GLU HBx A 10 CYS HBy 1.0 1.8 5.0 401 317 A 16 CYS HA A 4 CYS HBy 1.0 1.8 5.0 402 318 A 16 CYS HA A 4 CYS HBx 1.0 1.8 5.0 403 319 A 16 CYS HBx A 4 CYS HBx 1.0 1.8 5.0 404 320 A 24 TRP HBy A 4 CYS HBx 1.0 1.8 5.0 405 320 A 24 TRP HBy A 14 GLU HBx 1.0 1.8 5.0 406 320 A 14 GLU HBx A 16 CYS HBy 1.0 1.8 5.0 407 320 A 4 CYS HBx A 16 CYS HBy 1.0 1.8 5.0 408 321 A 24 TRP HBy A 38 MET HBx 1.0 1.8 5.0 409 321 A 24 TRP HBy A 3 GLN HBy 1.0 1.8 5.0 410 321 A 24 TRP HBy A 55 ILE HB 1.0 1.8 5.0 411 321 A 24 TRP HBy A 4 CYS HBy 1.0 1.8 5.0 412 322 A 4 CYS HBx A 16 CYS HBy 1.0 1.8 5.0 413 323 A 16 CYS HBx A 4 CYS HBx 1.0 1.8 5.0 414 324 A 26 CYS HA A 10 CYS HBy 1.0 1.8 5.0 415 325 A 26 CYS HBx A 10 CYS HBy 1.0 1.8 5.0 416 326 A 26 CYS HBy A 10 CYS HBy 1.0 1.8 5.0 417 327 A 26 CYS HBx A 10 CYS HBy 1.0 1.8 5.0 418 328 A 26 CYS HBy A 10 CYS HBy 1.0 1.8 5.0 419 329 A 26 CYS HBy A 10 CYS HBx 1.0 1.8 5.0 420 330 A 26 CYS HBy A 10 CYS HBx 1.0 1.8 5.0 421 331 A 17 CYS HBx A 34 CYS HBy 1.0 1.8 5.0 422 332 A 34 CYS HBy A 17 CYS HBy 1.0 1.8 5.0 423 333 A 17 CYS HA A 34 CYS HBy 1.0 1.8 5.0 424 334 A 17 CYS HA A 34 CYS HBx 1.0 1.8 5.0 425 335 A 17 CYS HBx A 34 CYS HBy 1.0 1.8 5.0 426 336 A 34 CYS HBy A 17 CYS HBy 1.0 1.8 5.0 427 337 A 27 CYS HA A 28 PRO HBx 1.0 1.8 5.0 428 338 A 27 CYS HA A 28 PRO HGx 1.0 1.8 5.0 429 339 A 32 ALA HB% A 27 CYS HA 1.0 1.8 5.0 430 340 A 27 CYS HBy A 28 PRO HDx 1.0 1.8 5.0 431 341 A 27 CYS HBx A 28 PRO HDx 1.0 1.8 5.0 432 342 A 27 CYS HBx A 28 PRO HDy 1.0 1.8 5.0 433 343 A 27 CYS HBy A 28 PRO HDy 1.0 1.8 5.0 434 344 A 41 CYS HBy A 27 CYS HBy 1.0 1.8 5.0 435 345 A 41 CYS HBy A 27 CYS HBx 1.0 1.8 5.0 436 346 A 54 CYS HBy A 42 CYS HA 1.0 1.8 5.0 437 347 A 54 CYS HBy A 42 CYS HBx 1.0 1.8 5.0 438 348 A 10 CYS HBy A 2 VAL HGy% 1.0 1.8 5.0 439 349 A 10 CYS HBx A 2 VAL HGy% 1.0 1.8 5.0 440 350 A 4 CYS HBy A 8 PHE HBx 1.0 1.8 5.0 441 351 A 32 ALA HA A 43 PRO HA 1.0 1.8 5.0 442 352 A 32 ALA HA A 43 PRO HA 1.0 1.8 5.0 443 353 A 56 SER HBy A 46 TYR HDx 1.0 1.8 5.0 444 354 A 56 SER HBy A 46 TYR HEx 1.0 1.8 5.0 445 355 A 46 TYR HEx A 56 SER HBx 1.0 1.8 5.0 446 356 A 46 TYR HDx A 56 SER HBx 1.0 1.8 5.0 447 357 A 46 TYR HDx A 56 SER HA 1.0 1.8 5.0 448 358 A 56 SER HA A 46 TYR HEx 1.0 1.8 5.0 449 359 A 43 PRO HGx A 46 TYR HEx 1.0 1.8 5.0 450 360 A 46 TYR HDx A 43 PRO HGx 1.0 1.8 5.0 451 361 A 43 PRO HBx A 46 TYR HEx 1.0 1.8 5.0 452 362 A 46 TYR HDx A 43 PRO HBx 1.0 1.8 5.0 453 363 A 46 TYR HDx A 43 PRO HGy 1.0 1.8 5.0 454 364 A 43 PRO HBy A 46 TYR HEx 1.0 1.8 5.0 455 365 A 43 PRO HBy A 46 TYR HDx 1.0 1.8 5.0 456 366 A 54 CYS HBy A 46 TYR HEx 1.0 1.8 5.0 457 367 A 54 CYS HBy A 46 TYR HDx 1.0 1.8 5.0 458 368 A 46 TYR HDx A 47 LYS HGy 1.0 1.8 5.0 459 368 A 46 TYR HDx A 47 LYS HGx 1.0 1.8 5.0 460 368 A 55 ILE HG1y A 24 TRP HZ3 1.0 1.8 5.0 461 368 A 46 TYR HDx A 55 ILE HG1y 1.0 1.8 5.0 462 368 A 44 ALA HB% A 46 TYR HDx 1.0 1.8 5.0 463 369 A 18 PRO HGx A 24 TRP HZ3 1.0 1.8 5.0 464 370 A 18 PRO HGx A 24 TRP HH2 1.0 1.8 5.0 465 371 A 18 PRO HBy A 24 TRP HH2 1.0 1.8 5.0 466 372 A 18 PRO HBy A 24 TRP HD1 1.0 1.8 5.0 467 373 A 16 CYS HBx A 24 TRP HD1 1.0 1.8 5.0 468 374 A 16 CYS HBx A 24 TRP HE3 1.0 1.8 5.0 469 375 A 18 PRO HDx A 24 TRP HZ3 1.0 1.8 5.0 470 376 A 18 PRO HDy A 24 TRP HZ3 1.0 1.8 5.0 471 377 A 18 PRO HDx A 24 TRP HH2 1.0 1.8 5.0 472 378 A 18 PRO HDy A 24 TRP HH2 1.0 1.8 5.0 473 379 A 18 PRO HA A 24 TRP HD1 1.0 1.8 5.0 474 380 A 18 PRO HA A 24 TRP HH2 1.0 1.8 5.0 475 381 A 23 THR HA A 24 TRP HE3 1.0 1.8 5.0 476 381 A 20 SER HA A 24 TRP HE3 1.0 1.8 5.0 477 381 A 23 THR HA A 24 TRP HH2 1.0 1.8 5.0 478 381 A 20 SER HA A 24 TRP HH2 1.0 1.8 5.0 479 382 A 23 THR HA A 24 TRP HD1 1.0 1.8 5.0 480 383 A 16 CYS HA A 24 TRP HE3 1.0 1.8 5.0 481 384 A 17 CYS HA A 24 TRP HH2 1.0 1.8 5.0 482 385 A 17 CYS HA A 24 TRP HZ3 1.0 1.8 5.0 483 386 A 6 GLY HAx A 8 PHE HZ 1.0 1.8 5.0 484 386 A 23 THR HB A 8 PHE HZ 1.0 1.8 5.0 485 386 A 31 LYS HA A 8 PHE HZ 1.0 1.8 5.0 486 387 A 23 THR HA A 8 PHE HZ 1.0 1.8 5.0 487 388 A 24 TRP HBy A 8 PHE HZ 1.0 1.8 5.0 488 389 A 24 TRP HBx A 8 PHE HDx 1.0 1.8 5.0 489 390 A 8 PHE HZ A 22 THR HG2% 1.0 1.8 5.0 490 390 A 33 VAL HGy% A 8 PHE HZ 1.0 1.8 5.0 491 390 A 23 THR HG2% A 8 PHE HZ 1.0 1.8 5.0 492 391 A 18 PRO HGx A 17 CYS HA 1.0 1.8 5.0 493 392 A 18 PRO HBy A 17 CYS HA 1.0 1.8 5.0 494 393 A 15 THR HG2% A 17 CYS HA 1.0 1.8 5.0 495 394 A 54 CYS HA A 55 ILE HG1y 1.0 1.8 5.0 496 395 A 54 CYS HA A 55 ILE HG1x 1.0 1.8 5.0 497 396 A 32 ALA HB% A 41 CYS HA 1.0 1.8 5.0 498 397 A 43 PRO HGx A 42 CYS HA 1.0 1.8 5.0 499 398 A 42 CYS HA A 43 PRO HGy 1.0 1.8 5.0 500 399 A 16 CYS HA A 2 VAL HGx% 1.0 1.8 5.0 501 399 A 16 CYS HA A 55 ILE HD1% 1.0 1.8 5.0 502 399 A 9 SER HA A 2 VAL HGx% 1.0 1.8 5.0 503 399 A 55 ILE HD1% A 9 SER HA 1.0 1.8 5.0 504 400 A 15 THR HG2% A 16 CYS HA 1.0 1.8 5.0 505 401 A 33 VAL HGx% A 35 CYS HA 1.0 1.8 5.0 506 402 A 2 VAL HGy% A 10 CYS HA 1.0 1.8 5.0 507 402 A 2 VAL HGx% A 10 CYS HA 1.0 1.8 5.0 508 402 A 55 ILE HD1% A 10 CYS HA 1.0 1.8 5.0 509 403 A 2 VAL HB A 10 CYS HA 1.0 1.8 5.0 510 404 A 14 GLU HBx A 10 CYS HA 1.0 1.8 5.0 511 405 A 14 GLU HGy A 10 CYS HA 1.0 1.8 5.0 512 406 A 29 SER HA A 30 PRO HBx 1.0 1.8 5.0 513 406 A 30 PRO HBy A 29 SER HA 1.0 1.8 5.0 514 406 A 29 SER HA A 28 PRO HBx 1.0 1.8 5.0 515 406 A 14 GLU HGy A 29 SER HA 1.0 1.8 5.0 516 407 A 24 TRP HA A 19 THR HG2% 1.0 1.8 5.0 517 408 A 18 PRO HBy A 24 TRP HA 1.0 1.8 5.0 518 409 A 18 PRO HBx A 24 TRP HA 1.0 1.8 5.0 519 410 A 32 ALA HB% A 29 SER HA 1.0 1.8 5.0 520 411 A 29 SER HA A 30 PRO HGx 1.0 1.8 5.0 521 412 A 12 ASP HA A 2 VAL HGy% 1.0 1.8 5.0 522 413 A 32 ALA HB% A 43 PRO HA 1.0 1.8 5.0 523 414 A 18 PRO HDx A 17 CYS HBy 1.0 1.8 5.0 524 415 A 34 CYS HBy A 18 PRO HDx 1.0 1.8 5.0 525 416 A 18 PRO HDy A 17 CYS HBy 1.0 1.8 5.0 526 417 A 17 CYS HBx A 18 PRO HDy 1.0 1.8 5.0 527 418 A 34 CYS HBx A 18 PRO HDy 1.0 1.8 5.0 528 418 A 43 PRO HDx A 18 PRO HDy 1.0 1.8 5.0 529 418 A 42 CYS HBy A 18 PRO HDy 1.0 1.8 5.0 530 419 A 34 CYS HBx A 18 PRO HDx 1.0 1.8 5.0 531 420 A 34 CYS HBy A 18 PRO HDy 1.0 1.8 5.0 532 421 A 2 VAL HB A 10 CYS HBy 1.0 1.8 5.0 533 422 A 9 SER HBx A 1 ASP HBx 1.0 1.8 5.0 534 423 A 9 SER HBx A 1 ASP HBy 1.0 1.8 5.0 535 424 A 1 ASP HBy A 9 SER HBy 1.0 1.8 5.0 536 425 A 55 ILE HD1% A 50 PRO HDx 1.0 1.8 5.0 537 426 A 55 ILE HD1% A 50 PRO HDy 1.0 1.8 5.0 538 427 A 43 PRO HBy A 17 CYS HBy 1.0 1.8 5.0 539 428 A 15 THR HG2% A 27 CYS HBy 1.0 1.8 5.0 540 429 A 15 THR HG2% A 27 CYS HBx 1.0 1.8 5.0 541 430 A 22 THR HG2% A 21 GLN HGx 1.0 1.8 5.0 542 431 A 22 THR HG2% A 21 GLN HBy 1.0 1.8 5.0 543 432 A 21 GLN HBx A 22 THR HG2% 1.0 1.8 5.0 544 433 A 22 THR HG2% A 21 GLN HBy 1.0 1.8 5.0 545 434 A 21 GLN HBx A 22 THR HG2% 1.0 1.8 5.0 546 435 A 55 ILE HD1% A 49 GLY HAy 1.0 1.8 5.0 547 436 A 43 PRO HA A 29 SER HBy 1.0 1.8 5.0 548 437 A 43 PRO HA A 29 SER HBx 1.0 1.8 5.0 549 438 A 32 ALA HB% A 29 SER HBy 1.0 1.8 5.0 550 439 A 55 ILE HG2% A 50 PRO HDx 1.0 1.8 5.0 551 440 A 55 ILE HG2% A 49 GLY HAx 1.0 1.8 5.0 552 441 A 55 ILE HD1% A 50 PRO HDx 1.0 1.8 5.0 553 442 A 55 ILE HD1% A 49 GLY HAx 1.0 1.8 5.0 554 443 A 55 ILE HD1% A 50 PRO HDy 1.0 1.8 5.0 555 444 A 25 GLY HAx A 19 THR HG2% 1.0 1.8 5.0 556 445 A 25 GLY HAy A 19 THR HG2% 1.0 1.8 5.0 557 446 A 29 SER HA A 55 ILE HG1x 1.0 1.8 5.0 558 446 A 24 TRP HA A 55 ILE HG1x 1.0 1.8 5.0 559 446 A 24 TRP HA A 19 THR HG2% 1.0 1.8 5.0 560 447 A 55 ILE HG2% A 53 THR HB 1.0 1.8 5.0 561 448 A 12 ASP HA A 2 VAL HGy% 1.0 1.8 5.0 562 449 A 33 VAL HGy% A 44 ALA HA 1.0 1.8 5.0 563 450 A 33 VAL HGy% A 42 CYS HBx 1.0 1.8 5.0 564 451 A 14 GLU HBx A 10 CYS HBy 1.0 1.8 5.0 565 452 A 14 GLU HBy A 10 CYS HBy 1.0 1.8 5.0 566 453 A 33 VAL HGx% A 42 CYS HBx 1.0 1.8 5.0 567 454 A 10 CYS HBx A 2 VAL HGy% 1.0 1.8 5.0 568 455 A 10 CYS HBx A 2 VAL HGx% 1.0 1.8 5.0 569 456 A 55 ILE HD1% A 47 LYS HEx 1.0 1.8 5.0 570 457 A 55 ILE HG1x A 47 LYS HEx 1.0 1.8 5.0 571 458 A 55 ILE HG1x A 47 LYS HDy 1.0 1.8 5.0 572 459 A 55 ILE HG1x A 47 LYS HDy 1.0 1.8 5.0 573 460 A 38 MET HBy A 55 ILE HG1x 1.0 1.8 5.0 574 460 A 19 THR HG2% A 38 MET HBy 1.0 1.8 5.0 575 461 A 33 VAL HGy% A 42 CYS HBy 1.0 1.8 5.0 576 462 A 33 VAL HGx% A 42 CYS HBy 1.0 1.8 5.0 577 463 A 55 ILE HG2% A 53 THR HB 1.0 1.8 5.0 578 464 A 55 ILE HD1% A 49 GLY HAy 1.0 1.8 5.0 579 465 A 55 ILE HG1x A 49 GLY HAx 1.0 1.8 5.0 580 466 A 2 VAL HB A 10 CYS HBy 1.0 1.8 5.0 581 467 A 2 VAL HB A 10 CYS HBx 1.0 1.8 5.0 582 468 A 29 SER HA A 28 PRO HBx 1.0 1.8 5.0 583 469 A 27 CYS HA A 28 PRO HBx 1.0 1.8 5.0 584 470 A 27 CYS HA A 28 PRO HGx 1.0 1.8 5.0 585 471 A 42 CYS HBx A 46 TYR HBy 1.0 1.8 5.0 586 472 A 24 TRP HBx A 8 PHE HBy 1.0 1.8 5.0 587 473 A 24 TRP HBx A 8 PHE HBx 1.0 1.8 5.0 588 474 A 24 TRP HBx A 8 PHE HBy 1.0 1.8 5.0 589 475 A 4 CYS HBy A 8 PHE HBy 1.0 1.8 5.0 590 476 A 4 CYS HBy A 8 PHE HBx 1.0 1.8 5.0 591 477 A 4 CYS HBx A 8 PHE HBx 1.0 1.8 5.0 592 478 A 4 CYS HBx A 8 PHE HBy 1.0 1.8 5.0 593 479 A 9 SER HBx A 1 ASP HBy 1.0 1.8 5.0 594 480 A 9 SER HBx A 1 ASP HBx 1.0 1.8 5.0 595 481 A 54 CYS HBy A 43 PRO HDy 1.0 1.8 5.0 596 482 A 54 CYS HBy A 46 TYR HBy 1.0 1.8 5.0 597 483 A 46 TYR HBy A 42 CYS HA 1.0 1.8 5.0 598 484 A 38 MET HA A 19 THR HG2% 1.0 1.8 5.0 599 485 A 47 LYS HA A 33 VAL HGx% 1.0 1.8 5.0 600 486 A 55 ILE HD1% A 47 LYS HDy 1.0 1.8 5.0 601 487 A 55 ILE HG1x A 47 LYS HDy 1.0 1.8 5.0 602 488 A 55 ILE HG2% A 47 LYS HDy 1.0 1.8 5.0 603 489 A 21 GLN HGy A 22 THR HG2% 1.0 1.8 5.0 604 490 A 10 CYS HBy A 2 VAL HGy% 1.0 1.8 5.0 605 491 A 12 ASP HBx A 2 VAL HGy% 1.0 1.8 5.0 606 491 A 1 ASP HBx A 2 VAL HGy% 1.0 1.8 5.0 607 492 A 42 CYS HBy A 54 CYS HBx 1.0 1.8 5.0 608 493 A 54 CYS HBx A 43 PRO HDy 1.0 1.8 5.0 609 494 A 37 ASP HA A 38 MET HGy 1.0 1.8 5.0 610 495 A 37 ASP HA A 38 MET HBy 1.0 1.8 5.0 611 496 A 15 THR HA A 2 VAL HGy% 1.0 1.8 5.0 612 497 A 49 GLY HAy A 50 PRO HGx 1.0 1.8 5.0 613 498 A 55 ILE HG1y A 49 GLY HAy 1.0 1.8 5.0 614 499 A 18 PRO HDy A 17 CYS HBy 1.0 1.8 5.0 615 500 A 18 PRO HDx A 17 CYS HBy 1.0 1.8 5.0 616 501 A 34 CYS HBy A 18 PRO HDx 1.0 1.8 5.0 617 502 A 34 CYS HBy A 18 PRO HDy 1.0 1.8 5.0 618 503 A 34 CYS HBx A 18 PRO HDy 1.0 1.8 5.0 619 504 A 17 CYS HBx A 18 PRO HDy 1.0 1.8 5.0 620 505 A 35 CYS HA A 37 ASP HBy 1.0 1.8 5.0 621 506 A 1 ASP HBx A 11 HIS HA 1.0 1.8 5.0 622 507 A 1 ASP HBy A 11 HIS HA 1.0 1.8 5.0 623 508 A 26 CYS HBx A 10 CYS HA 1.0 1.8 5.0 624 509 A 4 CYS HA A 2 VAL HGx% 1.0 1.8 5.0 625 510 A 44 ALA HB% A 43 PRO HA 1.0 1.8 5.0 626 511 A 45 GLY HAy A 44 ALA HB% 1.0 1.8 5.0 627 512 A 32 ALA HA A 33 VAL HB 1.0 1.8 5.0 628 513 A 33 VAL HGy% A 44 ALA HA 1.0 1.8 5.0 629 514 A 55 ILE HD1% A 44 ALA HA 1.0 1.8 5.0 630 514 A 55 ILE HD1% A 53 THR HB 1.0 1.8 5.0 631 514 A 3 GLN HA A 2 VAL HGx% 1.0 1.8 5.0 632 514 A 55 ILE HD1% A 3 GLN HA 1.0 1.8 5.0 633 515 A 32 ALA HB% A 33 VAL HA 1.0 1.8 5.0 634 516 A 32 ALA HB% A 41 CYS HBy 1.0 1.8 5.0 635 517 A 15 THR HG2% A 31 LYS HA 1.0 1.8 5.0 636 518 A 15 THR HB A 27 CYS HA 1.0 1.8 5.0 637 519 A 45 GLY HAx A 44 ALA HB% 1.0 1.8 5.0 638 520 A 14 GLU HGy A 11 HIS HBy 1.0 1.8 5.0 639 521 A 14 GLU HGy A 11 HIS HBx 1.0 1.8 5.0 640 522 A 32 ALA HB% A 41 CYS HBx 1.0 1.8 5.0 641 523 A 32 ALA HB% A 43 PRO HDx 1.0 1.8 5.0 642 524 A 39 GLN HBx A 40 HIS HD2 1.0 1.8 5.0 643 525 A 14 GLU HBx A 24 TRP HE3 1.0 1.8 5.0 644 525 A 4 CYS HBx A 24 TRP HE3 1.0 1.8 5.0 645 525 A 14 GLU HBx A 24 TRP HH2 1.0 1.8 5.0 646 525 A 4 CYS HBx A 24 TRP HH2 1.0 1.8 5.0 647 526 A 18 PRO HA A 24 TRP HBx 1.0 1.8 5.0 648 527 A 54 CYS HBy A 42 CYS HBx 1.0 1.8 5.0 649 528 A 46 TYR HBx A 43 PRO HBy 1.0 1.8 5.0 650 528 A 46 TYR HBx A 42 CYS HBx 1.0 1.8 5.0 651 528 A 26 CYS HBy A 42 CYS HBx 1.0 1.8 5.0 652 528 A 11 HIS HBx A 38 MET HBy 1.0 1.8 5.0 653 529 A 26 CYS HBy A 14 GLU HBy 1.0 1.8 5.0 654 530 A 32 ALA HB% A 3 GLN HGx 1.0 1.8 5.0 655 530 A 32 ALA HB% A 43 PRO HBy 1.0 1.8 5.0 656 530 A 32 ALA HB% A 42 CYS HBx 1.0 1.8 5.0 657 531 A 32 ALA HB% A 47 LYS HBx 1.0 1.8 5.0 658 531 A 32 ALA HB% A 31 LYS HBx 1.0 1.8 5.0 659 531 A 32 ALA HB% A 33 VAL HB 1.0 1.8 5.0 660 531 A 32 ALA HB% A 47 LYS HBy 1.0 1.8 5.0 661 531 A 32 ALA HB% A 43 PRO HBx 1.0 1.8 5.0 662 532 A 32 ALA HB% A 29 SER HBy 1.0 1.8 5.0 663 533 A 14 GLU HGy A 11 HIS HBy 1.0 1.8 5.0 664 534 A 14 GLU HGy A 11 HIS HBx 1.0 1.8 5.0 665 535 A 41 CYS HBy A 27 CYS HBy 1.0 1.8 5.0 666 536 A 16 CYS HA A 4 CYS HA 1.0 1.8 5.0 667 536 A 9 SER HA A 4 CYS HA 1.0 1.8 5.0 668 537 A 4 CYS HA A 24 TRP HZ3 1.0 1.8 5.0 669 537 A 45 GLY HAy A 46 TYR HDx 1.0 1.8 5.0 670 538 A 14 GLU HBx A 53 THR H 1.0 1.8 5.0 671 538 A 14 GLU HBx A 24 TRP HD1 1.0 1.8 5.0 672 538 A 4 CYS HBx A 24 TRP HD1 1.0 1.8 5.0 673 539 A 14 GLU HBx A 24 TRP HZ3 1.0 1.8 5.0 674 539 A 4 CYS HBx A 24 TRP HZ3 1.0 1.8 5.0 675 540 A 24 TRP HZ2 A 9 SER HBy 1.0 1.8 5.0 676 540 A 5 GLY HAx A 24 TRP HZ2 1.0 1.8 5.0 677 541 A 2 VAL HA A 3 GLN HE2y 1.0 1.8 5.0 678 541 A 5 GLY HAy A 3 GLN HE2y 1.0 1.8 5.0 679 541 A 33 VAL HA A 3 GLN HE2y 1.0 1.8 5.0 680 541 A 5 GLY HAy A 24 TRP HZ2 1.0 1.8 5.0 681 542 A 50 PRO HDx A 55 ILE HG1x 1.0 1.8 5.0 682 542 A 55 ILE HG2% A 50 PRO HDx 1.0 1.8 5.0 683 543 A 47 LYS HGx A 50 PRO HDx 1.0 1.8 5.0 684 543 A 55 ILE HG1y A 50 PRO HDx 1.0 1.8 5.0 685 543 A 50 PRO HDx A 47 LYS HGy 1.0 1.8 5.0 686 544 A 7 GLY HAy A 18 PRO HBx 1.0 1.8 5.0 687 544 A 32 ALA HA A 47 LYS HDx 1.0 1.8 5.0 688 544 A 18 PRO HBx A 6 GLY HAy 1.0 1.8 5.0 689 544 A 7 GLY HAy A 43 PRO HGx 1.0 1.8 5.0 690 544 A 32 ALA HA A 43 PRO HGx 1.0 1.8 5.0 691 545 A 33 VAL HGx% A 35 CYS HA 1.0 1.8 5.0 692 545 A 33 VAL HGx% A 40 HIS HA 1.0 1.8 5.0 693 546 A 53 THR HG2% A 51 GLY HAx 1.0 1.8 5.0 694 547 A 15 THR HA A 28 PRO HDy 1.0 1.8 5.0 695 547 A 15 THR HA A 51 GLY HAx 1.0 1.8 5.0 696 547 A 51 GLY HAx A 50 PRO HA 1.0 1.8 5.0 697 548 A 11 HIS HBx A 4 CYS HBx 1.0 1.8 5.0 698 548 A 14 GLU HBx A 11 HIS HBx 1.0 1.8 5.0 699 548 A 46 TYR HBx A 43 PRO HBx 1.0 1.8 5.0 700 548 A 26 CYS HBy A 14 GLU HBx 1.0 1.8 5.0 701 549 A 27 CYS HBy A 28 PRO HBy 1.0 1.8 5.0 702 549 A 27 CYS HBy A 17 CYS HBx 1.0 1.8 5.0 703 549 A 27 CYS HBy A 21 GLN HGx 1.0 1.8 5.0 704 549 A 27 CYS HBy A 21 GLN HGy 1.0 1.8 5.0 705 550 A 52 GLY HAx A 47 LYS HEy 1.0 1.8 5.0 706 550 A 52 GLY HAx A 47 LYS HEx 1.0 1.8 5.0 707 550 A 35 CYS HBx A 40 HIS HBx 1.0 1.8 5.0 708 551 A 2 VAL H A 1 ASP HBy 1.0 1.8 5.0 709 552 A 2 VAL H A 1 ASP HBx 1.0 1.8 5.0 710 553 A 2 VAL H A 1 ASP HA 1.0 1.8 5.0 711 554 A 3 GLN H A 2 VAL HA 1.0 1.8 5.0 712 555 A 3 GLN H A 2 VAL HB 1.0 1.8 5.0 713 556 A 3 GLN H A 2 VAL HGx% 1.0 1.8 5.0 714 557 A 4 CYS H A 3 GLN HA 1.0 1.8 5.0 715 558 A 4 CYS H A 3 GLN HGy 1.0 1.8 5.0 716 559 A 5 GLY H A 4 CYS HA 1.0 1.8 5.0 717 560 A 5 GLY H A 4 CYS HBy 1.0 1.8 5.0 718 561 A 5 GLY H A 4 CYS HBx 1.0 1.8 5.0 719 562 A 5 GLY HAx A 6 GLY H 1.0 1.8 5.0 720 563 A 8 PHE H A 7 GLY HAy 1.0 1.8 5.0 721 564 A 8 PHE H A 7 GLY HAx 1.0 1.8 5.0 722 565 A 9 SER H A 8 PHE HBy 1.0 1.8 5.0 723 566 A 9 SER H A 8 PHE HA 1.0 1.8 5.0 724 567 A 10 CYS H A 9 SER HA 1.0 1.8 5.0 725 568 A 9 SER HBx A 10 CYS H 1.0 1.8 5.0 726 569 A 2 VAL HB A 10 CYS H 1.0 1.8 5.0 727 570 A 10 CYS H A 2 VAL HGx% 1.0 1.8 5.0 728 571 A 11 HIS H A 10 CYS HBy 1.0 1.8 5.0 729 572 A 11 HIS H A 10 CYS HBx 1.0 1.8 5.0 730 573 A 14 GLU HGy A 11 HIS H 1.0 1.8 5.0 731 574 A 44 ALA H A 43 PRO HA 1.0 1.8 5.0 732 575 A 44 ALA H A 43 PRO HBy 1.0 1.8 5.0 733 576 A 44 ALA H A 43 PRO HBx 1.0 1.8 5.0 734 577 A 12 ASP H A 11 HIS HA 1.0 1.8 5.0 735 578 A 12 ASP H A 11 HIS HBy 1.0 1.8 5.0 736 579 A 13 GLY H A 12 ASP HA 1.0 1.8 5.0 737 580 A 13 GLY H A 12 ASP HBy 1.0 1.8 5.0 738 581 A 13 GLY H A 12 ASP HBx 1.0 1.8 5.0 739 582 A 14 GLU H A 13 GLY HAy 1.0 1.8 5.0 740 583 A 14 GLU H A 13 GLY HAx 1.0 1.8 5.0 741 584 A 15 THR H A 14 GLU HA 1.0 1.8 5.0 742 585 A 15 THR H A 27 CYS HBy 1.0 1.8 5.0 743 586 A 15 THR H A 14 GLU HGy 1.0 1.8 5.0 744 587 A 15 THR H A 14 GLU HBx 1.0 1.8 5.0 745 588 A 16 CYS H A 15 THR HA 1.0 1.8 5.0 746 589 A 15 THR HG2% A 16 CYS H 1.0 1.8 5.0 747 590 A 16 CYS H A 2 VAL HGy% 1.0 1.8 5.0 748 590 A 16 CYS H A 2 VAL HGx% 1.0 1.8 5.0 749 590 A 16 CYS H A 55 ILE HD1% 1.0 1.8 5.0 750 591 A 15 THR HB A 16 CYS H 1.0 1.8 5.0 751 592 A 17 CYS H A 16 CYS HBx 1.0 1.8 5.0 752 593 A 17 CYS H A 16 CYS HBy 1.0 1.8 5.0 753 594 A 17 CYS H A 16 CYS HA 1.0 1.8 5.0 754 595 A 26 CYS HA A 17 CYS H 1.0 1.8 5.0 755 596 A 19 THR H A 24 TRP HA 1.0 1.8 5.0 756 597 A 19 THR HB A 20 SER H 1.0 1.8 5.0 757 598 A 20 SER H A 19 THR HG2% 1.0 1.8 5.0 758 599 A 25 GLY H A 24 TRP HA 1.0 1.8 5.0 759 600 A 23 THR H A 22 THR HA 1.0 1.8 5.0 760 601 A 23 THR HB A 24 TRP H 1.0 1.8 5.0 761 602 A 24 TRP H A 23 THR HA 1.0 1.8 5.0 762 603 A 25 GLY H A 24 TRP HBx 1.0 1.8 5.0 763 604 A 25 GLY H A 24 TRP HBy 1.0 1.8 5.0 764 605 A 26 CYS H A 25 GLY HAy 1.0 1.8 5.0 765 606 A 26 CYS H A 25 GLY HAx 1.0 1.8 5.0 766 607 A 27 CYS H A 26 CYS HA 1.0 1.8 5.0 767 608 A 27 CYS H A 26 CYS HBy 1.0 1.8 5.0 768 609 A 55 ILE H A 54 CYS HA 1.0 1.8 5.0 769 610 A 55 ILE H A 54 CYS HBy 1.0 1.8 5.0 770 611 A 56 SER H A 55 ILE HA 1.0 1.8 5.0 771 612 A 56 SER H A 55 ILE HB 1.0 1.8 5.0 772 613 A 56 SER H A 55 ILE HG1y 1.0 1.8 5.0 773 614 A 54 CYS H A 53 THR HG2% 1.0 1.8 5.0 774 615 A 54 CYS H A 53 THR HB 1.0 1.8 5.0 775 616 A 54 CYS H A 53 THR HA 1.0 1.8 5.0 776 617 A 53 THR H A 52 GLY HAy 1.0 1.8 5.0 777 618 A 53 THR H A 52 GLY HAx 1.0 1.8 5.0 778 619 A 52 GLY H A 51 GLY HAy 1.0 1.8 5.0 779 620 A 52 GLY H A 51 GLY HAx 1.0 1.8 5.0 780 621 A 47 LYS H A 46 TYR HBx 1.0 1.8 5.0 781 622 A 47 LYS H A 46 TYR HA 1.0 1.8 5.0 782 623 A 45 GLY H A 44 ALA HA 1.0 1.8 5.0 783 624 A 45 GLY H A 44 ALA HB% 1.0 1.8 5.0 784 625 A 46 TYR H A 45 GLY HAy 1.0 1.8 5.0 785 626 A 46 TYR H A 45 GLY HAx 1.0 1.8 5.0 786 627 A 47 LYS H A 46 TYR HBy 1.0 1.8 5.0 787 628 A 48 CYS H A 47 LYS HA 1.0 1.8 5.0 788 629 A 48 CYS H A 47 LYS HBx 1.0 1.8 5.0 789 630 A 48 CYS H A 47 LYS HDx 1.0 1.8 5.0 790 631 A 48 CYS H A 47 LYS HGx 1.0 1.8 5.0 791 632 A 49 GLY H A 48 CYS HA 1.0 1.8 5.0 792 633 A 49 GLY H A 48 CYS HBx 1.0 1.8 5.0 793 634 A 35 CYS H A 34 CYS HA 1.0 1.8 5.0 794 635 A 41 CYS HA A 35 CYS H 1.0 1.8 5.0 795 636 A 36 ASP H A 35 CYS HA 1.0 1.8 5.0 796 637 A 36 ASP H A 35 CYS HBy 1.0 1.8 5.0 797 638 A 36 ASP H A 35 CYS HBx 1.0 1.8 5.0 798 639 A 38 MET H A 37 ASP HA 1.0 1.8 5.0 799 640 A 38 MET H A 37 ASP HBy 1.0 1.8 5.0 800 641 A 38 MET H A 37 ASP HBx 1.0 1.8 5.0 801 642 A 39 GLN H A 38 MET HA 1.0 1.8 5.0 802 643 A 40 HIS H A 39 GLN HA 1.0 1.8 5.0 803 644 A 40 HIS H A 39 GLN HBy 1.0 1.8 5.0 804 645 A 40 HIS H A 39 GLN HBx 1.0 1.8 5.0 805 646 A 41 CYS H A 40 HIS HA 1.0 1.8 5.0 806 647 A 41 CYS H A 40 HIS HBy 1.0 1.8 5.0 807 648 A 42 CYS H A 41 CYS HA 1.0 1.8 5.0 808 649 A 42 CYS H A 41 CYS HBy 1.0 1.8 5.0 809 650 A 42 CYS H A 41 CYS HBx 1.0 1.8 5.0 810 651 A 42 CYS H A 33 VAL HB 1.0 1.8 5.0 811 652 A 32 ALA HB% A 42 CYS H 1.0 1.8 5.0 812 653 A 33 VAL HGx% A 42 CYS H 1.0 1.8 5.0 813 654 A 34 CYS H A 33 VAL HA 1.0 1.8 5.0 814 655 A 34 CYS H A 33 VAL HGx% 1.0 1.8 5.0 815 656 A 33 VAL H A 32 ALA HB% 1.0 1.8 5.0 816 657 A 33 VAL H A 32 ALA HA 1.0 1.8 5.0 817 658 A 32 ALA H A 31 LYS HBy 1.0 1.8 5.0 818 659 A 31 LYS HA A 32 ALA H 1.0 1.8 5.0 819 660 A 46 TYR H A 44 ALA HA 1.0 1.8 5.0 820 661 A 4 CYS H A 5 GLY H 1.0 1.8 5.0 821 662 A 4 CYS H A 5 GLY H 1.0 1.8 5.0 822 663 A 4 CYS H A 9 SER HA 1.0 1.8 5.0 823 664 A 2 VAL H A 11 HIS HA 1.0 1.8 5.0 824 665 A 2 VAL H A 10 CYS HBy 1.0 1.8 5.0 825 666 A 2 VAL H A 10 CYS H 1.0 1.8 5.0 826 667 A 2 VAL H A 10 CYS H 1.0 1.8 5.0 827 668 A 10 CYS H A 3 GLN HA 1.0 1.8 5.0 828 669 A 8 PHE H A 4 CYS HBy 1.0 1.8 5.0 829 670 A 8 PHE H A 4 CYS HBx 1.0 1.8 5.0 830 671 A 8 PHE H A 7 GLY H 1.0 1.8 5.0 831 672 A 8 PHE H A 7 GLY H 1.0 1.8 5.0 832 673 A 5 GLY H A 8 PHE HBx 1.0 1.8 5.0 833 674 A 8 PHE H A 24 TRP HE3 1.0 1.8 5.0 834 674 A 8 PHE H A 24 TRP HH2 1.0 1.8 5.0 835 675 A 53 THR H A 8 PHE H 1.0 1.8 5.0 836 675 A 8 PHE H A 24 TRP HD1 1.0 1.8 5.0 837 676 A 13 GLY H A 14 GLU H 1.0 1.8 5.0 838 677 A 13 GLY H A 14 GLU H 1.0 1.8 5.0 839 678 A 13 GLY H A 2 VAL HGy% 1.0 1.8 5.0 840 679 A 14 GLU H A 2 VAL HGy% 1.0 1.8 5.0 841 680 A 14 GLU H A 12 ASP HA 1.0 1.8 5.0 842 681 A 27 CYS H A 15 THR H 1.0 1.8 5.0 843 682 A 27 CYS H A 15 THR H 1.0 1.8 5.0 844 683 A 27 CYS H A 15 THR HB 1.0 1.8 5.0 845 684 A 27 CYS H A 15 THR HG2% 1.0 1.8 5.0 846 685 A 17 CYS H A 24 TRP HH2 1.0 1.8 5.0 847 685 A 17 CYS H A 5 GLY H 1.0 1.8 5.0 848 686 A 25 GLY H A 19 THR HG2% 1.0 1.8 5.0 849 687 A 25 GLY H A 18 PRO HA 1.0 1.8 5.0 850 688 A 25 GLY H A 19 THR H 1.0 1.8 5.0 851 689 A 23 THR H A 20 SER H 1.0 1.8 5.0 852 690 A 22 THR H A 23 THR H 1.0 1.8 5.0 853 691 A 39 GLN HBy A 19 THR H 1.0 1.8 5.0 854 691 A 19 THR H A 18 PRO HBy 1.0 1.8 5.0 855 691 A 19 THR H A 18 PRO HBx 1.0 1.8 5.0 856 692 A 23 THR H A 20 SER H 1.0 1.8 5.0 857 693 A 22 THR H A 23 THR H 1.0 1.8 5.0 858 694 A 22 THR H A 21 GLN HA 1.0 1.8 5.0 859 695 A 22 THR H A 21 GLN HBx 1.0 1.8 5.0 860 696 A 32 ALA H A 31 LYS H 1.0 1.8 5.0 861 697 A 32 ALA H A 31 LYS H 1.0 1.8 5.0 862 698 A 33 VAL H A 42 CYS H 1.0 1.8 5.0 863 699 A 33 VAL H A 42 CYS H 1.0 1.8 5.0 864 700 A 37 ASP H A 38 MET H 1.0 1.8 5.0 865 701 A 38 MET H A 39 GLN H 1.0 1.8 5.0 866 702 A 37 ASP H A 38 MET H 1.0 1.8 5.0 867 703 A 38 MET H A 39 GLN H 1.0 1.8 5.0 868 704 A 45 GLY H A 46 TYR H 1.0 1.8 5.0 869 705 A 45 GLY H A 46 TYR H 1.0 1.8 5.0 870 706 A 45 GLY H A 33 VAL HGy% 1.0 1.8 5.0 871 707 A 33 VAL HGy% A 46 TYR H 1.0 1.8 5.0 872 708 A 53 THR H A 52 GLY H 1.0 1.8 5.0 873 709 A 53 THR H A 52 GLY H 1.0 1.8 5.0 874 710 A 54 CYS HA A 49 GLY H 1.0 1.8 5.0 875 711 A 49 GLY H A 55 ILE HG1x 1.0 1.8 5.0 876 712 A 53 THR H A 49 GLY H 1.0 1.8 5.0 877 713 A 53 THR H A 49 GLY H 1.0 1.8 5.0 878 714 A 53 THR H A 48 CYS HA 1.0 1.8 5.0 879 715 A 55 ILE H A 47 LYS H 1.0 1.8 5.0 880 716 A 55 ILE H A 47 LYS HDy 1.0 1.8 5.0 881 717 A 48 CYS H A 33 VAL HGx% 1.0 1.8 5.0 882 718 A 55 ILE H A 47 LYS H 1.0 1.8 5.0 883 719 A 7 GLY H A 6 GLY HAx 1.0 1.8 5.0 884 720 A 1 ASP HBy A 10 CYS H 1.0 1.8 5.0 885 721 A 10 CYS H A 38 MET HGx 1.0 1.8 5.0 886 721 A 10 CYS H A 38 MET HGy 1.0 1.8 5.0 887 721 A 14 GLU HGy A 10 CYS H 1.0 1.8 5.0 888 721 A 10 CYS H A 3 GLN HGy 1.0 1.8 5.0 889 722 A 12 ASP H A 30 PRO HBy 1.0 1.8 5.0 890 722 A 12 ASP H A 21 GLN HBx 1.0 1.8 5.0 891 722 A 12 ASP H A 30 PRO HBx 1.0 1.8 5.0 892 722 A 14 GLU HGx A 12 ASP H 1.0 1.8 5.0 893 723 A 14 GLU H A 42 CYS HBy 1.0 1.8 5.0 894 723 A 14 GLU H A 11 HIS HBx 1.0 1.8 5.0 895 723 A 14 GLU H A 43 PRO HDx 1.0 1.8 5.0 896 723 A 26 CYS HBy A 14 GLU H 1.0 1.8 5.0 897 723 A 14 GLU H A 37 ASP HBx 1.0 1.8 5.0 898 724 A 18 PRO HBx A 20 SER H 1.0 1.8 5.0 899 725 A 27 CYS H A 14 GLU HBx 1.0 1.8 5.0 900 726 A 33 VAL HGx% A 35 CYS H 1.0 1.8 5.0 901 727 A 35 CYS HA A 39 GLN H 1.0 1.8 5.0 902 727 A 40 HIS HA A 39 GLN H 1.0 1.8 5.0 903 727 A 39 GLN H A 10 CYS HA 1.0 1.8 5.0 904 727 A 11 HIS HA A 39 GLN H 1.0 1.8 5.0 905 728 A 39 GLN H A 40 HIS HBy 1.0 1.8 5.0 906 728 A 39 GLN H A 34 CYS HBy 1.0 1.8 5.0 907 728 A 39 GLN H A 49 GLY HAx 1.0 1.8 5.0 908 728 A 35 CYS HBy A 39 GLN H 1.0 1.8 5.0 909 729 A 44 ALA H A 30 PRO HDy 1.0 1.8 5.0 910 729 A 44 ALA H A 29 SER HBx 1.0 1.8 5.0 911 729 A 44 ALA H A 28 PRO HDx 1.0 1.8 5.0 912 729 A 44 ALA H A 29 SER HBy 1.0 1.8 5.0 913 729 A 44 ALA H A 30 PRO HDx 1.0 1.8 5.0 914 730 A 32 ALA HB% A 44 ALA H 1.0 1.8 5.0 915 730 A 53 THR HG2% A 44 ALA H 1.0 1.8 5.0 916 731 A 46 TYR H A 31 LYS HBx 1.0 1.8 5.0 917 731 A 46 TYR H A 33 VAL HB 1.0 1.8 5.0 918 731 A 46 TYR H A 47 LYS HBx 1.0 1.8 5.0 919 731 A 46 TYR H A 47 LYS HBy 1.0 1.8 5.0 920 731 A 46 TYR H A 43 PRO HBx 1.0 1.8 5.0 921 732 A 46 TYR H A 44 ALA HB% 1.0 1.8 5.0 922 732 A 46 TYR H A 47 LYS HGy 1.0 1.8 5.0 923 732 A 46 TYR H A 47 LYS HGx 1.0 1.8 5.0 924 732 A 46 TYR H A 31 LYS HGx 1.0 1.8 5.0 925 732 A 46 TYR H A 55 ILE HG1y 1.0 1.8 5.0 926 733 A 47 LYS H A 56 SER HA 1.0 1.8 5.0 927 734 A 55 ILE HB A 47 LYS H 1.0 1.8 5.0 928 735 A 47 LYS H A 55 ILE HG1x 1.0 1.8 5.0 929 736 A 53 THR H A 51 GLY HAx 1.0 1.8 5.0 930 737 A 55 ILE H A 48 CYS HA 1.0 1.8 5.0 931 738 A 4 CYS H A 8 PHE HBy 1.0 1.8 5.0 932 739 A 26 CYS HA A 15 THR H 1.0 1.8 5.0 933 740 A 15 THR HG2% A 17 CYS H 1.0 1.8 5.0 934 741 A 26 CYS HA A 25 GLY H 1.0 1.8 5.0 935 742 A 27 CYS H A 21 GLN HGy 1.0 1.8 5.0 936 742 A 27 CYS H A 17 CYS HBx 1.0 1.8 5.0 937 742 A 27 CYS H A 21 GLN HGx 1.0 1.8 5.0 938 742 A 27 CYS H A 28 PRO HBy 1.0 1.8 5.0 939 742 A 27 CYS H A 14 GLU HGy 1.0 1.8 5.0 940 743 A 27 CYS HBy A 32 ALA H 1.0 1.8 5.0 941 743 A 27 CYS HBy A 29 SER H 1.0 1.8 5.0 942 743 A 27 CYS HBy A 9 SER H 1.0 1.8 5.0 943 744 A 41 CYS HBx A 35 CYS H 1.0 1.8 5.0 944 745 A 18 PRO HA A 35 CYS H 1.0 1.8 5.0 945 745 A 35 CYS H A 19 THR HB 1.0 1.8 5.0 946 745 A 41 CYS HBy A 35 CYS H 1.0 1.8 5.0 947 746 A 35 CYS HBy A 38 MET H 1.0 1.8 5.0 948 746 A 38 MET H A 50 PRO HDx 1.0 1.8 5.0 949 746 A 38 MET H A 56 SER HBx 1.0 1.8 5.0 950 747 A 39 GLN H A 38 MET HGy 1.0 1.8 5.0 951 748 A 40 HIS H A 34 CYS HBx 1.0 1.8 5.0 952 748 A 40 HIS H A 43 PRO HDx 1.0 1.8 5.0 953 748 A 40 HIS H A 42 CYS HBy 1.0 1.8 5.0 954 748 A 11 HIS HBx A 40 HIS H 1.0 1.8 5.0 955 749 A 33 VAL HGy% A 42 CYS H 1.0 1.8 5.0 956 750 A 46 TYR H A 43 PRO HBy 1.0 1.8 5.0 957 750 A 46 TYR H A 42 CYS HBx 1.0 1.8 5.0 958 751 A 49 GLY H A 36 ASP HA 1.0 1.8 5.0 959 751 A 49 GLY H A 39 GLN HA 1.0 1.8 5.0 960 751 A 49 GLY H A 37 ASP HA 1.0 1.8 5.0 961 751 A 53 THR HA A 49 GLY H 1.0 1.8 5.0 962 752 A 53 THR HG2% A 49 GLY H 1.0 1.8 5.0 963 753 A 52 GLY H A 50 PRO HA 1.0 1.8 5.0 964 754 A 54 CYS H A 55 ILE HG1x 1.0 1.8 5.0 965 754 A 55 ILE HG2% A 54 CYS H 1.0 1.8 5.0 966 754 A 54 CYS H A 19 THR HG2% 1.0 1.8 5.0 967 755 A 55 ILE H A 17 CYS HBy 1.0 1.8 5.0 968 755 A 55 ILE H A 46 TYR HBy 1.0 1.8 5.0 969 756 A 20 SER HBy A 23 THR H 1.0 1.8 5.0 970 757 A 33 VAL H A 32 ALA H 1.0 1.8 5.0 971 757 A 33 VAL H A 29 SER H 1.0 1.8 5.0 972 757 A 33 VAL H A 9 SER H 1.0 1.8 5.0 973 757 A 11 HIS H A 9 SER H 1.0 1.8 5.0 974 758 A 42 CYS H A 35 CYS H 1.0 1.8 5.0 975 759 A 37 ASP H A 36 ASP H 1.0 1.8 5.0 976 760 A 37 ASP H A 36 ASP H 1.0 1.8 5.0 977 761 A 37 ASP H A 39 GLN H 1.0 1.8 5.0 978 761 A 2 VAL H A 37 ASP H 1.0 1.8 5.0 979 762 A 25 GLY H A 19 THR H 1.0 1.8 5.0 980 762 A 17 CYS H A 19 THR H 1.0 1.8 5.0 981 763 A 47 LYS H A 46 TYR H 1.0 1.8 5.0 982 764 A 47 LYS H A 46 TYR HDx 1.0 1.8 5.0 983 765 A 55 ILE H A 24 TRP HZ3 1.0 1.8 5.0 984 765 A 55 ILE H A 46 TYR HDx 1.0 1.8 5.0 985 766 A 56 SER H A 24 TRP HZ3 1.0 1.8 5.0 986 766 A 56 SER H A 46 TYR HDx 1.0 1.8 5.0 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 15 THR H A 27 CYS O 1.0 1.8 2.0 2 2 A 27 CYS O A 15 THR N 1.0 2.7 3.0 3 3 A 27 CYS H A 15 THR O 1.0 1.8 2.0 4 4 A 15 THR O A 27 CYS N 1.0 2.7 3.0 5 5 A 17 CYS H A 25 GLY O 1.0 1.8 2.0 6 6 A 25 GLY O A 17 CYS N 1.0 2.7 3.0 7 7 A 25 GLY H A 17 CYS O 1.0 1.8 2.0 8 8 A 17 CYS O A 25 GLY N 1.0 2.7 3.0 9 9 A 33 VAL H A 42 CYS O 1.0 1.8 2.0 10 10 A 42 CYS O A 33 VAL N 1.0 2.7 3.0 11 11 A 42 CYS H A 33 VAL O 1.0 1.8 2.0 12 12 A 33 VAL O A 42 CYS N 1.0 2.7 3.0 13 13 A 40 HIS H A 35 CYS O 1.0 1.8 2.0 14 14 A 35 CYS O A 40 HIS N 1.0 2.7 3.0 15 15 A 47 LYS H A 55 ILE O 1.0 1.8 2.0 16 16 A 55 ILE O A 47 LYS N 1.0 2.7 3.0 17 17 A 55 ILE H A 47 LYS O 1.0 1.8 2.0 18 18 A 47 LYS O A 55 ILE N 1.0 2.7 3.0 19 19 A 14 GLU H A 11 HIS O 1.0 1.8 2.0 20 20 A 11 HIS O A 14 GLU N 1.0 2.7 3.0 21 21 A 46 TYR H A 43 PRO O 1.0 1.8 2.0 22 22 A 43 PRO O A 46 TYR N 1.0 2.7 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 1 ASP C A 2 VAL N A 2 VAL CA A 2 VAL C 1.0 -150.0 -90.0 PHI 2 2 A 9 SER C A 10 CYS N A 10 CYS CA A 10 CYS C 1.0 -150.0 -90.0 PHI 3 3 A 11 HIS C A 12 ASP N A 12 ASP CA A 12 ASP C 1.0 -90.0 -30.0 PHI 4 4 A 13 GLY C A 14 GLU N A 14 GLU CA A 14 GLU C 1.0 -150.0 -90.0 PHI 5 5 A 14 GLU C A 15 THR N A 15 THR CA A 15 THR C 1.0 -150.0 -90.0 PHI 6 6 A 15 THR C A 16 CYS N A 16 CYS CA A 16 CYS C 1.0 -90.0 -30.0 PHI 7 7 A 16 CYS C A 17 CYS N A 17 CYS CA A 17 CYS C 1.0 -150.0 -90.0 PHI 8 8 A 18 PRO C A 19 THR N A 19 THR CA A 19 THR C 1.0 -90.0 -30.0 PHI 9 9 A 19 THR C A 20 SER N A 20 SER CA A 20 SER C 1.0 -150.0 -90.0 PHI 10 10 A 21 GLN C A 22 THR N A 22 THR CA A 22 THR C 1.0 -150.0 -90.0 PHI 11 11 A 25 GLY C A 26 CYS N A 26 CYS CA A 26 CYS C 1.0 -150.0 -90.0 PHI 12 12 A 30 PRO C A 31 LYS N A 31 LYS CA A 31 LYS C 1.0 -90.0 -30.0 PHI 13 13 A 33 VAL C A 34 CYS N A 34 CYS CA A 34 CYS C 1.0 -90.0 -30.0 PHI 14 14 A 34 CYS C A 35 CYS N A 35 CYS CA A 35 CYS C 1.0 -90.0 -30.0 PHI 15 15 A 36 ASP C A 37 ASP N A 37 ASP CA A 37 ASP C 1.0 -90.0 -30.0 PHI 16 16 A 37 ASP C A 38 MET N A 38 MET CA A 38 MET C 1.0 -150.0 -90.0 PHI 17 17 A 38 MET C A 39 GLN N A 39 GLN CA A 39 GLN C 1.0 -150.0 -90.0 PHI 18 18 A 41 CYS C A 42 CYS N A 42 CYS CA A 42 CYS C 1.0 -150.0 -90.0 PHI 19 19 A 43 PRO C A 44 ALA N A 44 ALA CA A 44 ALA C 1.0 -90.0 -30.0 PHI 20 20 A 46 TYR C A 47 LYS N A 47 LYS CA A 47 LYS C 1.0 -150.0 -90.0 PHI 21 21 A 47 LYS C A 48 CYS N A 48 CYS CA A 48 CYS C 1.0 -90.0 -30.0 PHI 22 22 A 53 THR C A 54 CYS N A 54 CYS CA A 54 CYS C 1.0 -150.0 -90.0 PHI 23 23 A 54 CYS C A 55 ILE N A 55 ILE CA A 55 ILE C 1.0 -150.0 -90.0 PHI stop_ save_ save_CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 2 VAL N A 2 VAL H 1.0 . . . 2 2 A 3 GLN N A 3 GLN H 1.0 . . . 3 3 A 4 CYS N A 4 CYS H 1.0 . . . 4 4 A 5 GLY N A 5 GLY H 1.0 . . . 5 5 A 6 GLY N A 6 GLY H 1.0 . . . 6 6 A 7 GLY N A 7 GLY H 1.0 . . . 7 7 A 8 PHE N A 8 PHE H 1.0 . . . 8 8 A 10 CYS N A 10 CYS H 1.0 . . . 9 9 A 11 HIS N A 11 HIS H 1.0 . . . 10 10 A 12 ASP N A 12 ASP H 1.0 . . . 11 11 A 13 GLY N A 13 GLY H 1.0 . . . 12 12 A 14 GLU N A 14 GLU H 1.0 . . . 13 13 A 15 THR N A 15 THR H 1.0 . . . 14 14 A 16 CYS N A 16 CYS H 1.0 . . . 15 15 A 17 CYS N A 17 CYS H 1.0 . . . 16 16 A 19 THR N A 19 THR H 1.0 . . . 17 17 A 20 SER N A 20 SER H 1.0 . . . 18 18 A 22 THR N A 22 THR H 1.0 . . . 19 19 A 23 THR N A 23 THR H 1.0 . . . 20 20 A 25 GLY N A 25 GLY H 1.0 . . . 21 21 A 26 CYS N A 26 CYS H 1.0 . . . 22 22 A 27 CYS N A 27 CYS H 1.0 . . . 23 23 A 31 LYS N A 31 LYS H 1.0 . . . 24 24 A 33 VAL N A 33 VAL H 1.0 . . . 25 25 A 34 CYS N A 34 CYS H 1.0 . . . 26 26 A 35 CYS N A 35 CYS H 1.0 . . . 27 27 A 36 ASP N A 36 ASP H 1.0 . . . 28 28 A 37 ASP N A 37 ASP H 1.0 . . . 29 29 A 38 MET N A 38 MET H 1.0 . . . 30 30 A 39 GLN N A 39 GLN H 1.0 . . . 31 31 A 40 HIS N A 40 HIS H 1.0 . . . 32 32 A 41 CYS N A 41 CYS H 1.0 . . . 33 33 A 42 CYS N A 42 CYS H 1.0 . . . 34 34 A 44 ALA N A 44 ALA H 1.0 . . . 35 35 A 45 GLY N A 45 GLY H 1.0 . . . 36 36 A 46 TYR N A 46 TYR H 1.0 . . . 37 37 A 47 LYS N A 47 LYS H 1.0 . . . 38 38 A 48 CYS N A 48 CYS H 1.0 . . . 39 39 A 49 GLY N A 49 GLY H 1.0 . . . 40 40 A 52 GLY N A 52 GLY H 1.0 . . . 41 41 A 53 THR N A 53 THR H 1.0 . . . 42 42 A 54 CYS N A 54 CYS H 1.0 . . . 43 43 A 55 ILE N A 55 ILE H 1.0 . . . 44 44 A 56 SER N A 56 SER H 1.0 . . . stop_ save_