data_nef_c15555_2jxd 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 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 14 CYS SG 1 44 CYS SG 1 22 CYS SG 1 41 CYS SG 1 30 CYS SG 1 62 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 PRO start . false 2 A 2 GLN middle . . 3 A 3 PHE middle . . 4 A 4 GLY middle . false 5 A 5 LEU middle . . 6 A 6 PHE middle . . 7 A 7 SER middle . . 8 A 8 LYS middle . . 9 A 9 TYR middle . . 10 A 10 ARG middle . . 11 A 11 THR middle . . 12 A 12 PRO middle . false 13 A 13 ASN middle . . 14 A 14 CYS middle -HG . 15 A 15 SER middle . . 16 A 16 GLN middle . . 17 A 17 TYR middle . . 18 A 18 ARG middle . . 19 A 19 LEU middle . . 20 A 20 PRO middle . false 21 A 21 GLY middle . false 22 A 22 CYS middle -HG . 23 A 23 PRO middle . false 24 A 24 ARG middle . . 25 A 25 HIS middle . . 26 A 26 PHE middle . . 27 A 27 ASN middle . . 28 A 28 PRO middle . false 29 A 29 VAL middle . . 30 A 30 CYS middle -HG . 31 A 31 GLY middle . false 32 A 32 SER middle . . 33 A 33 ASP middle . . 34 A 34 MET middle . . 35 A 35 SER middle . . 36 A 36 THR middle . . 37 A 37 TYR middle . . 38 A 38 ALA middle . . 39 A 39 ASN middle . . 40 A 40 GLU middle . . 41 A 41 CYS middle -HG . 42 A 42 THR middle . . 43 A 43 LEU middle . . 44 A 44 CYS middle -HG . 45 A 45 MET middle . . 46 A 46 LYS middle . . 47 A 47 ILE middle . . 48 A 48 ARG middle . . 49 A 49 GLU middle . . 50 A 50 GLY middle . false 51 A 51 GLY middle . false 52 A 52 HIS middle . . 53 A 53 ASN middle . . 54 A 54 ILE middle . . 55 A 55 LYS middle . . 56 A 56 ILE middle . . 57 A 57 ILE middle . . 58 A 58 ARG middle . . 59 A 59 ASN middle . . 60 A 60 GLY middle . false 61 A 61 PRO middle . false 62 A 62 CYS end -HG . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_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 2 GLN H H 1 7.383 0.004 A 2 GLN HA H 1 4.528 0.003 A 2 GLN HB2 H 1 3.077 0.004 A 2 GLN HB3 H 1 3.077 0.004 A 3 PHE H H 1 8.341 0.006 A 3 PHE HA H 1 4.579 0.002 A 3 PHE HBx H 1 3.008 0.08 A 3 PHE HBy H 1 3.008 0.08 A 3 PHE HD1 H 1 7.178 0.003 A 3 PHE HD2 H 1 7.178 0.003 A 4 GLY H H 1 8.274 0.005 A 4 GLY HA2 H 1 3.782 0.005 A 4 GLY HA3 H 1 3.782 0.005 A 5 LEU H H 1 7.937 0.001 A 5 LEU HA H 1 4.123 0.001 A 5 LEU HB2 H 1 1.378 0.006 A 5 LEU HB3 H 1 1.378 0.006 A 5 LEU HG H 1 1.295 0.007 A 6 PHE H H 1 8.101 0.003 A 6 PHE HA H 1 4.394 0.001 A 6 PHE HBx H 1 3.005 0.092 A 6 PHE HBy H 1 3.005 0.092 A 6 PHE HDx H 1 7.128 0.001 A 6 PHE HDy H 1 7.128 0.001 A 7 SER H H 1 8 0.001 A 7 SER HA H 1 4.224 0.002 A 7 SER HB2 H 1 3.729 0.004 A 7 SER HBy H 1 3.729 0.004 A 7 SER HBx H 1 3.723 0.021 A 8 LYS H H 1 7.915 0.002 A 8 LYS HA H 1 4.2 0.006 A 8 LYS HB2 H 1 1.676 0.003 A 8 LYS HB3 H 1 1.676 0.003 A 8 LYS HGx H 1 1.501 0.144 A 8 LYS HGy H 1 1.501 0.144 A 9 TYR H H 1 7.768 0.002 A 9 TYR HA H 1 4.821 0.001 A 9 TYR HBx H 1 2.834 0.066 A 9 TYR HBy H 1 2.834 0.066 A 9 TYR HDx H 1 6.94 0.004 A 9 TYR HDy H 1 6.94 0.004 A 9 TYR HEx H 1 6.752 0.003 A 9 TYR HEy H 1 6.752 0.003 A 10 ARG H H 1 8.602 0.004 A 10 ARG HA H 1 4.584 0.003 A 10 ARG HB2 H 1 1.698 0.007 A 10 ARG HB3 H 1 1.698 0.007 A 10 ARG HDx H 1 3.077 0.003 A 10 ARG HDy H 1 3.077 0.003 A 10 ARG HG2 H 1 1.472 0.004 A 10 ARG HG3 H 1 1.472 0.004 A 10 ARG HH11 H 1 7.007 0.004 A 11 THR H H 1 8.902 0.003 A 11 THR HA H 1 4.494 0.003 A 11 THR HB H 1 4.033 0.011 A 11 THR HG2% H 1 1.27 0.005 A 12 PRO HA H 1 4.21 0.006 A 12 PRO HB2 H 1 1.886 0.002 A 12 PRO HB3 H 1 1.886 0.002 A 13 ASN H H 1 8.202 0.004 A 13 ASN HA H 1 4.858 0.004 A 13 ASN HBx H 1 2.811 0.109 A 13 ASN HBy H 1 2.811 0.109 A 13 ASN HD2x H 1 7.142 0.384 A 13 ASN HD2y H 1 7.142 0.384 A 14 CYS H H 1 8.282 0.002 A 14 CYS HA H 1 5.035 0.002 A 14 CYS HBx H 1 3.157 0.315 A 14 CYS HBy H 1 3.157 0.315 A 15 SER H H 1 8.318 0.001 A 15 SER HA H 1 4.066 0.003 A 15 SER HB2 H 1 3.856 0.002 A 15 SER HB3 H 1 3.856 0.002 A 16 GLN H H 1 7.327 0.001 A 16 GLN HA H 1 4.031 0.003 A 16 GLN HBx H 1 1.359 0.206 A 16 GLN HBy H 1 1.359 0.206 A 16 GLN HE2x H 1 7.038 0.221 A 16 GLN HE2y H 1 7.038 0.221 A 16 GLN HGx H 1 1.6 0.096 A 16 GLN HGy H 1 1.6 0.096 A 17 TYR H H 1 7.125 0.005 A 17 TYR HA H 1 4.771 0.004 A 17 TYR HBx H 1 3.122 0.333 A 17 TYR HBy H 1 3.122 0.333 A 17 TYR HDx H 1 7.159 0.002 A 17 TYR HDy H 1 7.159 0.002 A 17 TYR HEx H 1 6.707 0.002 A 17 TYR HEy H 1 6.707 0.002 A 18 ARG H H 1 8.137 0.002 A 18 ARG HA H 1 4.298 0.003 A 18 ARG HB2 H 1 1.643 0.001 A 18 ARG HB3 H 1 1.519 0.002 A 18 ARG HDx H 1 3.118 0.004 A 18 ARG HDy H 1 3.118 0.004 A 18 ARG HGx H 1 1.319 0.001 A 18 ARG HGy H 1 1.319 0.001 A 19 LEU H H 1 8 0.001 A 19 LEU HA H 1 4.628 0.003 A 19 LEU HB2 H 1 1.75 0.002 A 19 LEU HB3 H 1 1.75 0.002 A 19 LEU HDx% H 1 0.905 0.006 A 19 LEU HDy% H 1 0.905 0.006 A 19 LEU HG H 1 1.597 0.029 A 20 PRO HA H 1 4.311 0.004 A 20 PRO HB2 H 1 2.189 0.011 A 20 PRO HB3 H 1 2.189 0.011 A 20 PRO HDx H 1 3.658 0.053 A 20 PRO HDy H 1 3.658 0.053 A 20 PRO HG2 H 1 1.845 0.005 A 20 PRO HG3 H 1 1.845 0.005 A 21 GLY H H 1 7.61 0.002 A 21 GLY HAx H 1 3.903 0.067 A 21 GLY HAy H 1 3.903 0.067 A 22 CYS H H 1 8.25 0.004 A 22 CYS HA H 1 5.245 0.005 A 22 CYS HBx H 1 2.663 0.178 A 22 CYS HBy H 1 2.663 0.178 A 23 PRO HA H 1 4.394 0.004 A 23 PRO HBx H 1 1.659 0.006 A 23 PRO HBy H 1 1.659 0.006 A 23 PRO HDx H 1 3.664 0.234 A 23 PRO HDy H 1 3.664 0.234 A 23 PRO HGx H 1 2.169 0.135 A 23 PRO HGy H 1 2.169 0.135 A 24 ARG H H 1 8.583 0.002 A 24 ARG HA H 1 4.147 0.005 A 24 ARG HB2 H 1 1.811 0.007 A 24 ARG HB3 H 1 1.811 0.007 A 24 ARG HGx H 1 1.575 0.047 A 24 ARG HGy H 1 1.575 0.047 A 25 HIS H H 1 7.302 0.002 A 25 HIS HA H 1 4.519 0.004 A 25 HIS HB2 H 1 3.08 0.005 A 25 HIS HB3 H 1 3.08 0.005 A 25 HIS HD2 H 1 7.156 0.004 A 26 PHE H H 1 8.873 0.003 A 26 PHE HA H 1 4.61 0.002 A 26 PHE HB2 H 1 2.986 0.006 A 26 PHE HB3 H 1 2.986 0.006 A 26 PHE HDx H 1 7.246 0.004 A 26 PHE HDy H 1 7.246 0.004 A 26 PHE HEx H 1 7.271 0.004 A 26 PHE HEy H 1 7.271 0.004 A 27 ASN H H 1 8.579 0.002 A 27 ASN HA H 1 4.741 0.002 A 27 ASN HBx H 1 2.567 0.155 A 27 ASN HBy H 1 2.567 0.155 A 27 ASN HD2x H 1 7.183 0.323 A 27 ASN HD2y H 1 7.183 0.323 A 28 PRO HA H 1 4.453 0.001 A 28 PRO HB2 H 1 1.565 0.006 A 28 PRO HBy H 1 1.565 0.006 A 28 PRO HBx H 1 1.513 0.05 A 28 PRO HDx H 1 3.238 0.002 A 28 PRO HDy H 1 3.238 0.002 A 28 PRO HGx H 1 0.995 0.132 A 28 PRO HGy H 1 0.995 0.132 A 29 VAL H H 1 8.082 0.004 A 29 VAL HA H 1 4.621 0.001 A 29 VAL HB H 1 2.002 0.004 A 29 VAL HGx% H 1 0.706 0.135 A 29 VAL HGy% H 1 0.706 0.135 A 30 CYS H H 1 8.303 0.003 A 30 CYS HA H 1 5.212 0.002 A 30 CYS HBx H 1 2.699 0.1 A 30 CYS HBy H 1 2.699 0.1 A 31 GLY H H 1 9.261 0.001 A 31 GLY HAx H 1 4.457 0.551 A 31 GLY HAy H 1 4.457 0.551 A 32 SER H H 1 8.992 0.001 A 32 SER HA H 1 3.885 0.003 A 32 SER HBx H 1 3.613 0.396 A 32 SER HBy H 1 3.613 0.396 A 33 ASP H H 1 8.252 0.003 A 33 ASP HA H 1 4.455 0.003 A 33 ASP HBx H 1 2.859 0.225 A 33 ASP HBy H 1 2.859 0.225 A 34 MET H H 1 8.849 0.002 A 34 MET HA H 1 4.249 0.004 A 34 MET HBx H 1 2.229 0.004 A 34 MET HBy H 1 2.229 0.004 A 35 SER H H 1 7.388 0.003 A 35 SER HA H 1 4.568 0.004 A 35 SER HBx H 1 3.398 0.136 A 35 SER HBy H 1 3.398 0.136 A 36 THR H H 1 8.453 0.051 A 36 THR HA H 1 4.68 0.004 A 36 THR HB H 1 3.886 0.001 A 36 THR HG2% H 1 1.05 0.002 A 37 TYR H H 1 9.204 0.004 A 37 TYR HA H 1 4.368 0.006 A 37 TYR HBx H 1 2.663 0.21 A 37 TYR HBy H 1 2.663 0.21 A 37 TYR HDx H 1 6.854 0.002 A 37 TYR HDy H 1 6.854 0.002 A 37 TYR HEx H 1 6.977 0.001 A 37 TYR HEy H 1 6.977 0.001 A 38 ALA H H 1 8.682 0.001 A 38 ALA HA H 1 4.6 0.007 A 38 ALA HB% H 1 2.668 0.148 A 39 ASN H H 1 8.654 0.002 A 39 ASN HA H 1 4.625 0.004 A 39 ASN HD2x H 1 7.163 0.285 A 39 ASN HD2y H 1 7.163 0.285 A 40 GLU H H 1 8.314 0.004 A 40 GLU HA H 1 4.334 0.002 A 40 GLU HB2 H 1 2.542 0.004 A 40 GLU HB3 H 1 2.542 0.004 A 40 GLU HG2 H 1 3.001 0.006 A 40 GLU HG3 H 1 3.001 0.006 A 41 CYS H H 1 8.213 0.006 A 41 CYS HA H 1 3.783 0.008 A 41 CYS HB2 H 1 1.335 0.004 A 41 CYS HB3 H 1 1.335 0.004 A 42 THR H H 1 8.282 0.001 A 42 THR HA H 1 4.314 0.003 A 42 THR HG2% H 1 1.337 0.003 A 43 LEU H H 1 7.235 0.005 A 43 LEU HA H 1 3.364 0.002 A 43 LEU HBx H 1 1.439 0.343 A 43 LEU HBy H 1 1.439 0.343 A 43 LEU HDx% H 1 0.332 0.161 A 43 LEU HDy% H 1 0.332 0.161 A 43 LEU HG H 1 0.794 0.005 A 44 CYS H H 1 8.325 0.001 A 44 CYS HA H 1 4.225 0.005 A 44 CYS HBx H 1 3.038 0.127 A 44 CYS HBy H 1 3.038 0.127 A 45 MET H H 1 8.336 0.002 A 45 MET HA H 1 4.136 0.005 A 45 MET HB2 H 1 2.055 0.022 A 45 MET HB3 H 1 2.055 0.022 A 45 MET HGx H 1 2.36 0.143 A 45 MET HGy H 1 2.36 0.143 A 46 LYS H H 1 7.558 0.002 A 46 LYS HA H 1 4.152 0.005 A 46 LYS HB2 H 1 2.103 0.007 A 46 LYS HB3 H 1 2.103 0.007 A 46 LYS HG2 H 1 1.941 0.007 A 46 LYS HG3 H 1 1.941 0.007 A 47 ILE H H 1 8.145 0.001 A 47 ILE HA H 1 3.697 0.003 A 47 ILE HB H 1 2.01 0.004 A 47 ILE HG1x H 1 1.07 0.095 A 47 ILE HG1y H 1 1.07 0.095 A 47 ILE HG2% H 1 0.841 0.006 A 48 ARG H H 1 7.898 0.004 A 48 ARG HA H 1 3.978 0.003 A 48 ARG HB2 H 1 1.713 0.005 A 48 ARG HB3 H 1 1.713 0.005 A 48 ARG HG2 H 1 0.839 0.005 A 48 ARG HG3 H 1 0.839 0.005 A 49 GLU H H 1 8.146 0.002 A 49 GLU HA H 1 4.144 0.008 A 49 GLU HB2 H 1 2.113 0.004 A 49 GLU HB3 H 1 2.113 0.004 A 49 GLU HGx H 1 2.563 0.055 A 49 GLU HGy H 1 2.563 0.055 A 50 GLY H H 1 8.056 0.001 A 50 GLY HA2 H 1 4.052 0.002 A 50 GLY HA3 H 1 4.052 0.002 A 51 GLY H H 1 7.863 0.005 A 51 GLY HA2 H 1 3.816 0.003 A 51 GLY HA3 H 1 3.816 0.003 A 52 HIS H H 1 7.963 0.005 A 52 HIS HA H 1 4.736 0.008 A 52 HIS HBx H 1 3.03 0.064 A 52 HIS HBy H 1 3.03 0.064 A 53 ASN H H 1 8.81 0.004 A 53 ASN HA H 1 4.436 0.006 A 53 ASN HB2 H 1 2.668 0.009 A 53 ASN HB3 H 1 2.668 0.009 A 53 ASN HD2x H 1 7.142 0.385 A 53 ASN HD2y H 1 7.142 0.385 A 54 ILE H H 1 6.778 0.003 A 54 ILE HA H 1 3.786 0.005 A 54 ILE HB H 1 1.348 0.005 A 54 ILE HG1x H 1 0.705 0.027 A 54 ILE HG1y H 1 0.705 0.027 A 54 ILE HG2% H 1 0.923 0.002 A 55 LYS H H 1 8.1 0.002 A 55 LYS HA H 1 4.592 0.004 A 55 LYS HBx H 1 1.455 0.209 A 55 LYS HBy H 1 1.455 0.209 A 55 LYS HGx H 1 1.33 0.081 A 55 LYS HGy H 1 1.33 0.081 A 56 ILE H H 1 8.898 0.003 A 56 ILE HA H 1 4.19 0.003 A 56 ILE HB H 1 1.539 0.006 A 56 ILE HG2% H 1 0.656 0.053 A 57 ILE H H 1 8.835 0.003 A 57 ILE HA H 1 4.005 0.004 A 57 ILE HB H 1 1.465 0.004 A 57 ILE HD1% H 1 0.836 0.003 A 57 ILE HG1x H 1 0.503 0.117 A 57 ILE HG1y H 1 0.503 0.117 A 57 ILE HG2% H 1 0.363 0.005 A 58 ARG H H 1 7.161 0.002 A 58 ARG HA H 1 4.316 0.008 A 58 ARG HB2 H 1 1.905 0.006 A 58 ARG HB3 H 1 1.678 0.005 A 58 ARG HGx H 1 1.231 0.023 A 58 ARG HGy H 1 1.231 0.023 A 59 ASN H H 1 8.669 0.002 A 59 ASN HA H 1 4.804 0.001 A 59 ASN HBx H 1 2.699 0.108 A 59 ASN HBy H 1 2.699 0.108 A 59 ASN HD2x H 1 7.117 0.372 A 59 ASN HD2y H 1 7.117 0.372 A 60 GLY H H 1 7.87 0.003 A 60 GLY HAx H 1 3.769 0.277 A 60 GLY HAy H 1 3.769 0.277 A 62 CYS H H 1 8.067 0.004 A 62 CYS HA H 1 5.163 0.007 A 62 CYS HBx H 1 2.626 0.15 A 62 CYS HBy H 1 2.626 0.15 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 3 PHE HA A 3 PHE HD% 1.0 1.8 2.5 2 2 A 3 PHE HD% A 3 PHE HBx 1.0 1.8 2.5 3 2 A 3 PHE HD% A 3 PHE HBy 1.0 1.8 2.5 4 3 A 5 LEU HG A 5 LEU HB2 1.0 1.8 2.5 5 3 A 5 LEU HB3 A 5 LEU HG 1.0 1.8 2.5 6 4 A 6 PHE HA A 6 PHE HBx 1.0 1.8 2.5 7 4 A 6 PHE HA A 6 PHE HBy 1.0 1.8 2.5 8 5 A 6 PHE HD% A 6 PHE HBx 1.0 1.8 2.5 9 5 A 6 PHE HBy A 6 PHE HD% 1.0 1.8 2.5 10 6 A 6 PHE HD% A 6 PHE HBx 1.0 1.8 2.5 11 6 A 6 PHE HBy A 6 PHE HD% 1.0 1.8 2.5 12 7 A 10 ARG HB3 A 10 ARG HDx 1.0 1.8 2.5 13 7 A 10 ARG HB2 A 10 ARG HDx 1.0 1.8 2.5 14 7 A 10 ARG HDy A 10 ARG HB2 1.0 1.8 2.5 15 7 A 10 ARG HDy A 10 ARG HB3 1.0 1.8 2.5 16 8 A 10 ARG HDy A 10 ARG HG2 1.0 1.8 2.5 17 8 A 10 ARG HDx A 10 ARG HG2 1.0 1.8 2.5 18 8 A 10 ARG HG3 A 10 ARG HDx 1.0 1.8 2.5 19 8 A 10 ARG HDy A 10 ARG HG3 1.0 1.8 2.5 20 9 A 12 PRO HA A 12 PRO HB2 1.0 1.8 2.5 21 9 A 12 PRO HA A 12 PRO HB3 1.0 1.8 2.5 22 10 A 14 CYS H A 14 CYS HBx 1.0 1.8 2.5 23 10 A 14 CYS HBy A 14 CYS H 1.0 1.8 2.5 24 11 A 14 CYS H A 14 CYS HBx 1.0 1.8 2.5 25 11 A 14 CYS HBy A 14 CYS H 1.0 1.8 2.5 26 12 A 16 GLN HA A 17 TYR H 1.0 1.8 2.5 27 13 A 17 TYR HA A 17 TYR HBx 1.0 1.8 2.5 28 13 A 17 TYR HA A 17 TYR HBy 1.0 1.8 2.5 29 14 A 17 TYR HA A 17 TYR HBx 1.0 1.8 2.5 30 14 A 17 TYR HA A 17 TYR HBy 1.0 1.8 2.5 31 15 A 19 LEU HG A 19 LEU HDx% 1.0 1.8 2.5 32 15 A 19 LEU HG A 19 LEU HDy% 1.0 1.8 2.5 33 16 A 20 PRO HB2 A 20 PRO HG2 1.0 1.8 2.5 34 16 A 20 PRO HB3 A 20 PRO HG2 1.0 1.8 2.5 35 16 A 20 PRO HG3 A 20 PRO HB2 1.0 1.8 2.5 36 16 A 20 PRO HB3 A 20 PRO HG3 1.0 1.8 2.5 37 17 A 22 CYS H A 21 GLY HAx 1.0 1.8 2.5 38 17 A 21 GLY HAy A 22 CYS H 1.0 1.8 2.5 39 18 A 23 PRO HA A 23 PRO HBx 1.0 1.8 2.5 40 18 A 23 PRO HA A 23 PRO HBy 1.0 1.8 2.5 41 19 A 26 PHE HA A 26 PHE HB2 1.0 1.8 2.5 42 19 A 26 PHE HA A 26 PHE HB3 1.0 1.8 2.5 43 20 A 27 ASN HA A 27 ASN H 1.0 1.8 2.5 44 21 A 29 VAL H A 28 PRO HBy 1.0 1.8 2.5 45 21 A 28 PRO HBx A 29 VAL H 1.0 1.8 2.5 46 22 A 29 VAL H A 29 VAL HB 1.0 2.5 4.5 47 23 A 58 ARG H A 30 CYS HBx 1.0 1.8 2.5 48 23 A 30 CYS HBy A 58 ARG H 1.0 1.8 2.5 49 24 A 32 SER HA A 55 LYS H 1.0 3.0 6.0 50 25 A 37 TYR HA A 38 ALA HB% 1.0 3.0 6.0 51 26 A 43 LEU HG A 43 LEU HBx 1.0 1.8 2.5 52 26 A 43 LEU HBy A 43 LEU HG 1.0 1.8 2.5 53 27 A 43 LEU HBx A 43 LEU HDx% 1.0 1.8 2.5 54 27 A 43 LEU HBy A 43 LEU HDx% 1.0 1.8 2.5 55 27 A 43 LEU HDy% A 43 LEU HBx 1.0 1.8 2.5 56 27 A 43 LEU HBy A 43 LEU HDy% 1.0 1.8 2.5 57 28 A 44 CYS HA A 47 ILE H 1.0 1.8 2.5 58 29 A 46 LYS HG2 A 54 ILE HG1x 1.0 1.8 2.5 59 29 A 46 LYS HG3 A 54 ILE HG1x 1.0 1.8 2.5 60 29 A 54 ILE HG1y A 46 LYS HG2 1.0 1.8 2.5 61 29 A 46 LYS HG3 A 54 ILE HG1y 1.0 1.8 2.5 62 30 A 47 ILE HA A 47 ILE HB 1.0 1.8 2.5 63 31 A 47 ILE H A 47 ILE HB 1.0 1.8 2.5 64 32 A 49 GLU HB2 A 49 GLU HGx 1.0 1.8 2.5 65 32 A 49 GLU HB3 A 49 GLU HGx 1.0 1.8 2.5 66 32 A 49 GLU HGy A 49 GLU HB2 1.0 1.8 2.5 67 32 A 49 GLU HGy A 49 GLU HB3 1.0 1.8 2.5 68 33 A 54 ILE HB A 43 LEU HDx% 1.0 1.8 2.5 69 33 A 43 LEU HDy% A 54 ILE HB 1.0 1.8 2.5 70 34 A 54 ILE HB A 54 ILE HG1x 1.0 1.8 2.5 71 34 A 54 ILE HG1y A 54 ILE HB 1.0 1.8 2.5 72 35 A 43 LEU HDy% A 54 ILE HG1x 1.0 1.8 2.5 73 35 A 43 LEU HDx% A 54 ILE HG1x 1.0 1.8 2.5 74 35 A 54 ILE HG1y A 43 LEU HDx% 1.0 1.8 2.5 75 35 A 43 LEU HDy% A 54 ILE HG1y 1.0 1.8 2.5 76 36 A 54 ILE HG1x A 55 LYS HGx 1.0 3.0 6.0 77 36 A 55 LYS HGy A 54 ILE HG1x 1.0 3.0 6.0 78 36 A 54 ILE HG1y A 55 LYS HGy 1.0 3.0 6.0 79 36 A 54 ILE HG1y A 55 LYS HGx 1.0 3.0 6.0 80 37 A 56 ILE HA A 57 ILE H 1.0 1.8 2.5 81 38 A 57 ILE HB A 57 ILE HG1x 1.0 1.8 2.5 82 38 A 57 ILE HB A 57 ILE HG1y 1.0 1.8 2.5 83 39 A 58 ARG HDy A 58 ARG HGx 1.0 1.8 2.5 84 39 A 58 ARG HDx A 58 ARG HGx 1.0 1.8 2.5 85 39 A 58 ARG HGy A 58 ARG HDx 1.0 1.8 2.5 86 39 A 58 ARG HGy A 58 ARG HDy 1.0 1.8 2.5 87 40 A 5 LEU HG A 5 LEU HA 1.0 1.8 3.5 88 41 A 5 LEU HA A 6 PHE H 1.0 1.8 3.5 89 42 A 5 LEU HG A 6 PHE H 1.0 1.8 3.5 90 43 A 6 PHE HA A 7 SER H 1.0 1.8 3.5 91 44 A 6 PHE H A 6 PHE HBx 1.0 1.8 3.5 92 44 A 6 PHE HBy A 6 PHE H 1.0 1.8 3.5 93 45 A 7 SER HA A 7 SER HBy 1.0 1.8 3.5 94 45 A 7 SER HA A 7 SER HBx 1.0 1.8 3.5 95 46 A 7 SER HA A 8 LYS H 1.0 1.8 3.5 96 47 A 8 LYS HA A 8 LYS HB2 1.0 1.8 3.5 97 47 A 8 LYS HA A 8 LYS HB3 1.0 1.8 3.5 98 48 A 8 LYS H A 8 LYS HA 1.0 1.8 3.5 99 49 A 8 LYS HA A 9 TYR H 1.0 1.8 3.5 100 50 A 9 TYR HA A 9 TYR HBx 1.0 1.8 3.5 101 50 A 9 TYR HBy A 9 TYR HA 1.0 1.8 3.5 102 51 A 9 TYR HA A 9 TYR HD% 1.0 1.8 3.5 103 52 A 9 TYR HA A 10 ARG H 1.0 1.8 3.5 104 53 A 9 TYR HD% A 9 TYR HBx 1.0 1.8 3.5 105 53 A 9 TYR HBy A 9 TYR HD% 1.0 1.8 3.5 106 54 A 9 TYR HBx A 55 LYS HBx 1.0 1.8 3.5 107 54 A 9 TYR HBy A 55 LYS HBx 1.0 1.8 3.5 108 54 A 55 LYS HBy A 9 TYR HBx 1.0 1.8 3.5 109 54 A 9 TYR HBy A 55 LYS HBy 1.0 1.8 3.5 110 55 A 9 TYR HBx A 55 LYS HGx 1.0 1.8 3.5 111 55 A 9 TYR HBy A 55 LYS HGx 1.0 1.8 3.5 112 55 A 55 LYS HGy A 9 TYR HBx 1.0 1.8 3.5 113 55 A 9 TYR HBy A 55 LYS HGy 1.0 1.8 3.5 114 56 A 9 TYR HBx A 55 LYS HGx 1.0 1.8 3.5 115 56 A 9 TYR HBy A 55 LYS HGx 1.0 1.8 3.5 116 56 A 55 LYS HGy A 9 TYR HBx 1.0 1.8 3.5 117 56 A 9 TYR HBy A 55 LYS HGy 1.0 1.8 3.5 118 57 A 9 TYR HD% A 9 TYR HBx 1.0 1.8 3.5 119 57 A 9 TYR HBy A 9 TYR HD% 1.0 1.8 3.5 120 58 A 9 TYR HD% A 9 TYR HE% 1.0 1.8 3.5 121 59 A 10 ARG HA A 11 THR H 1.0 1.8 3.5 122 60 A 10 ARG HB2 A 10 ARG HG2 1.0 1.8 3.5 123 60 A 10 ARG HG3 A 10 ARG HB2 1.0 1.8 3.5 124 60 A 10 ARG HB3 A 10 ARG HG3 1.0 1.8 3.5 125 60 A 10 ARG HB3 A 10 ARG HG2 1.0 1.8 3.5 126 61 A 10 ARG H A 10 ARG HB2 1.0 1.8 3.5 127 61 A 10 ARG HB3 A 10 ARG H 1.0 1.8 3.5 128 62 A 11 THR H A 10 ARG HB2 1.0 1.8 3.5 129 62 A 10 ARG HB3 A 11 THR H 1.0 1.8 3.5 130 63 A 11 THR HA A 11 THR HB 1.0 1.8 3.5 131 64 A 11 THR HA A 54 ILE HA 1.0 3.0 6.0 132 65 A 11 THR H A 11 THR HB 1.0 1.8 3.5 133 66 A 12 PRO HA A 13 ASN H 1.0 1.8 3.5 134 67 A 13 ASN HA A 13 ASN HBx 1.0 1.8 3.5 135 67 A 13 ASN HBy A 13 ASN HA 1.0 1.8 3.5 136 68 A 13 ASN HA A 13 ASN HBx 1.0 1.8 3.5 137 68 A 13 ASN HBy A 13 ASN HA 1.0 1.8 3.5 138 69 A 13 ASN H A 13 ASN HA 1.0 1.8 3.5 139 70 A 14 CYS H A 13 ASN HA 1.0 1.8 3.5 140 71 A 13 ASN HBy A 13 ASN HD2y 1.0 1.8 3.5 141 71 A 13 ASN HBx A 13 ASN HD2y 1.0 1.8 3.5 142 71 A 13 ASN HD2x A 13 ASN HBx 1.0 1.8 3.5 143 71 A 13 ASN HBy A 13 ASN HD2x 1.0 1.8 3.5 144 72 A 13 ASN HBy A 13 ASN HD2y 1.0 1.8 3.5 145 72 A 13 ASN HBx A 13 ASN HD2y 1.0 1.8 3.5 146 72 A 13 ASN HD2x A 13 ASN HBx 1.0 1.8 3.5 147 72 A 13 ASN HBy A 13 ASN HD2x 1.0 1.8 3.5 148 73 A 14 CYS HA A 17 TYR HD% 1.0 1.8 3.5 149 74 A 14 CYS HBy A 44 CYS HBx 1.0 1.8 3.5 150 74 A 14 CYS HBx A 44 CYS HBx 1.0 1.8 3.5 151 74 A 44 CYS HBy A 14 CYS HBx 1.0 1.8 3.5 152 74 A 14 CYS HBy A 44 CYS HBy 1.0 1.8 3.5 153 75 A 15 SER HA A 15 SER HB2 1.0 1.8 3.5 154 75 A 15 SER HA A 15 SER HB3 1.0 1.8 3.5 155 76 A 15 SER H A 15 SER HB2 1.0 1.8 3.5 156 76 A 15 SER HB3 A 15 SER H 1.0 1.8 3.5 157 77 A 16 GLN HA A 16 GLN HBx 1.0 1.8 3.5 158 77 A 16 GLN HA A 16 GLN HBy 1.0 1.8 3.5 159 78 A 16 GLN HBy A 16 GLN HGx 1.0 1.8 3.5 160 78 A 16 GLN HBx A 16 GLN HGx 1.0 1.8 3.5 161 78 A 16 GLN HGy A 16 GLN HBx 1.0 1.8 3.5 162 78 A 16 GLN HBy A 16 GLN HGy 1.0 1.8 3.5 163 79 A 17 TYR HE% A 16 GLN HGx 1.0 1.8 3.5 164 79 A 16 GLN HGy A 17 TYR HE% 1.0 1.8 3.5 165 80 A 17 TYR H A 16 GLN HGx 1.0 1.8 3.5 166 80 A 17 TYR H A 16 GLN HGy 1.0 1.8 3.5 167 81 A 17 TYR HA A 17 TYR HD% 1.0 1.8 3.5 168 82 A 17 TYR HA A 18 ARG H 1.0 1.8 3.5 169 83 A 17 TYR HD% A 17 TYR HBx 1.0 1.8 3.5 170 83 A 17 TYR HBy A 17 TYR HD% 1.0 1.8 3.5 171 84 A 17 TYR H A 17 TYR HBx 1.0 1.8 3.5 172 84 A 17 TYR H A 17 TYR HBy 1.0 1.8 3.5 173 85 A 17 TYR H A 17 TYR HBx 1.0 1.8 3.5 174 85 A 17 TYR H A 17 TYR HBy 1.0 1.8 3.5 175 86 A 17 TYR HD% A 17 TYR HE% 1.0 1.8 3.5 176 87 A 18 ARG HA A 18 ARG HB2 1.0 1.8 3.5 177 88 A 18 ARG HA A 18 ARG HGx 1.0 1.8 3.5 178 88 A 18 ARG HA A 18 ARG HGy 1.0 1.8 3.5 179 89 A 18 ARG HA A 18 ARG H 1.0 1.8 3.5 180 90 A 18 ARG HA A 19 LEU H 1.0 1.8 3.5 181 91 A 19 LEU HG A 19 LEU HA 1.0 1.8 3.5 182 92 A 19 LEU H A 19 LEU HB2 1.0 1.8 3.5 183 92 A 19 LEU H A 19 LEU HB3 1.0 1.8 3.5 184 93 A 20 PRO HA A 20 PRO HB2 1.0 1.8 3.5 185 93 A 20 PRO HB3 A 20 PRO HA 1.0 1.8 3.5 186 94 A 20 PRO HA A 20 PRO HG2 1.0 1.8 3.5 187 94 A 20 PRO HG3 A 20 PRO HA 1.0 1.8 3.5 188 95 A 19 LEU HG A 20 PRO HDx 1.0 1.8 3.5 189 95 A 19 LEU HG A 20 PRO HDy 1.0 1.8 3.5 190 96 A 19 LEU HG A 20 PRO HDx 1.0 1.8 3.5 191 96 A 19 LEU HG A 20 PRO HDy 1.0 1.8 3.5 192 97 A 21 GLY H A 20 PRO HG2 1.0 1.8 3.5 193 97 A 20 PRO HG3 A 21 GLY H 1.0 1.8 3.5 194 98 A 21 GLY H A 21 GLY HAx 1.0 1.8 3.5 195 98 A 21 GLY HAy A 21 GLY H 1.0 1.8 3.5 196 99 A 22 CYS H A 21 GLY HAx 1.0 1.8 3.5 197 99 A 21 GLY HAy A 22 CYS H 1.0 1.8 3.5 198 100 A 22 CYS H A 22 CYS HBx 1.0 1.8 3.5 199 100 A 22 CYS H A 22 CYS HBy 1.0 1.8 3.5 200 101 A 22 CYS H A 22 CYS HBx 1.0 1.8 3.5 201 101 A 22 CYS H A 22 CYS HBy 1.0 1.8 3.5 202 102 A 22 CYS HBx A 41 CYS HB2 1.0 1.8 3.5 203 102 A 22 CYS HBy A 41 CYS HB2 1.0 1.8 3.5 204 102 A 41 CYS HB3 A 22 CYS HBx 1.0 1.8 3.5 205 102 A 22 CYS HBy A 41 CYS HB3 1.0 1.8 3.5 206 103 A 23 PRO HA A 23 PRO HGx 1.0 1.8 3.5 207 103 A 23 PRO HA A 23 PRO HGy 1.0 1.8 3.5 208 104 A 23 PRO HA A 24 ARG H 1.0 1.8 3.5 209 105 A 23 PRO HBx A 23 PRO HDx 1.0 1.8 3.5 210 105 A 23 PRO HBy A 23 PRO HDx 1.0 1.8 3.5 211 105 A 23 PRO HDy A 23 PRO HBx 1.0 1.8 3.5 212 105 A 23 PRO HBy A 23 PRO HDy 1.0 1.8 3.5 213 106 A 23 PRO HDx A 23 PRO HGx 1.0 1.8 3.5 214 106 A 23 PRO HDy A 23 PRO HGx 1.0 1.8 3.5 215 106 A 23 PRO HGy A 23 PRO HDx 1.0 1.8 3.5 216 106 A 23 PRO HGy A 23 PRO HDy 1.0 1.8 3.5 217 107 A 23 PRO HDx A 23 PRO HGx 1.0 1.8 3.5 218 107 A 23 PRO HDy A 23 PRO HGx 1.0 1.8 3.5 219 107 A 23 PRO HGy A 23 PRO HDx 1.0 1.8 3.5 220 107 A 23 PRO HGy A 23 PRO HDy 1.0 1.8 3.5 221 108 A 23 PRO HDx A 23 PRO HGx 1.0 1.8 3.5 222 108 A 23 PRO HDy A 23 PRO HGx 1.0 1.8 3.5 223 108 A 23 PRO HGy A 23 PRO HDx 1.0 1.8 3.5 224 108 A 23 PRO HGy A 23 PRO HDy 1.0 1.8 3.5 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 24 ARG HA A 24 ARG HB2 1.0 1.8 3.5 2 1 A 24 ARG HA A 24 ARG HB3 1.0 1.8 3.5 3 2 A 24 ARG H A 24 ARG HA 1.0 1.8 3.5 4 3 A 24 ARG HB2 A 24 ARG HGx 1.0 1.8 3.5 5 3 A 24 ARG HB3 A 24 ARG HGx 1.0 1.8 3.5 6 3 A 24 ARG HGy A 24 ARG HB2 1.0 1.8 3.5 7 3 A 24 ARG HB3 A 24 ARG HGy 1.0 1.8 3.5 8 4 A 24 ARG H A 24 ARG HGx 1.0 1.8 3.5 9 4 A 24 ARG H A 24 ARG HGy 1.0 1.8 3.5 10 5 A 24 ARG H A 24 ARG HGx 1.0 1.8 3.5 11 5 A 24 ARG H A 24 ARG HGy 1.0 1.8 3.5 12 6 A 25 HIS HA A 25 HIS HB2 1.0 1.8 3.5 13 6 A 25 HIS HA A 25 HIS HB3 1.0 1.8 3.5 14 7 A 25 HIS HA A 26 PHE H 1.0 1.8 3.5 15 8 A 26 PHE HA A 26 PHE H 1.0 1.8 3.5 16 9 A 26 PHE HA A 27 ASN H 1.0 1.8 3.5 17 10 A 26 PHE HD% A 26 PHE HB2 1.0 1.8 3.5 18 10 A 26 PHE HB3 A 26 PHE HD% 1.0 1.8 3.5 19 11 A 26 PHE H A 26 PHE HB2 1.0 1.8 3.5 20 11 A 26 PHE HB3 A 26 PHE H 1.0 1.8 3.5 21 12 A 27 ASN HA A 27 ASN HBx 1.0 1.8 3.5 22 12 A 27 ASN HA A 27 ASN HBy 1.0 1.8 3.5 23 13 A 27 ASN HA A 28 PRO HDx 1.0 1.8 3.5 24 13 A 27 ASN HA A 28 PRO HDy 1.0 1.8 3.5 25 14 A 27 ASN HBx A 27 ASN HD2y 1.0 1.8 3.5 26 14 A 27 ASN HBy A 27 ASN HD2y 1.0 1.8 3.5 27 14 A 27 ASN HD2x A 27 ASN HBx 1.0 1.8 3.5 28 14 A 27 ASN HD2x A 27 ASN HBy 1.0 1.8 3.5 29 15 A 28 PRO HA A 28 PRO HBy 1.0 1.8 3.5 30 15 A 28 PRO HBx A 28 PRO HA 1.0 1.8 3.5 31 16 A 28 PRO HA A 28 PRO HGx 1.0 1.8 3.5 32 16 A 28 PRO HA A 28 PRO HGy 1.0 1.8 3.5 33 17 A 29 VAL H A 28 PRO HA 1.0 1.8 3.5 34 18 A 28 PRO HBx A 28 PRO HGx 1.0 1.8 3.5 35 18 A 28 PRO HBy A 28 PRO HGx 1.0 1.8 3.5 36 18 A 28 PRO HGy A 28 PRO HBy 1.0 1.8 3.5 37 18 A 28 PRO HBx A 28 PRO HGy 1.0 1.8 3.5 38 19 A 28 PRO HBx A 28 PRO HGx 1.0 1.8 3.5 39 19 A 28 PRO HBy A 28 PRO HGx 1.0 1.8 3.5 40 19 A 28 PRO HGy A 28 PRO HBy 1.0 1.8 3.5 41 19 A 28 PRO HBx A 28 PRO HGy 1.0 1.8 3.5 42 20 A 28 PRO HBy A 28 PRO HDx 1.0 1.8 3.5 43 20 A 28 PRO HBx A 28 PRO HDx 1.0 1.8 3.5 44 20 A 28 PRO HDy A 28 PRO HBy 1.0 1.8 3.5 45 20 A 28 PRO HBx A 28 PRO HDy 1.0 1.8 3.5 46 21 A 29 VAL HB A 29 VAL HA 1.0 1.8 3.5 47 22 A 29 VAL HA A 29 VAL HGx% 1.0 1.8 3.5 48 22 A 29 VAL HA A 29 VAL HGy% 1.0 1.8 3.5 49 23 A 29 VAL HA A 30 CYS H 1.0 1.8 3.5 50 24 A 29 VAL HA A 60 GLY H 1.0 1.8 3.5 51 25 A 29 VAL HB A 29 VAL HGx% 1.0 1.8 3.5 52 25 A 29 VAL HB A 29 VAL HGy% 1.0 1.8 3.5 53 26 A 29 VAL HB A 30 CYS H 1.0 1.8 3.5 54 27 A 29 VAL H A 29 VAL HGx% 1.0 1.8 3.5 55 27 A 29 VAL H A 29 VAL HGy% 1.0 1.8 3.5 56 28 A 29 VAL H A 37 TYR H 1.0 1.8 3.5 57 29 A 30 CYS HA A 30 CYS HBx 1.0 1.8 3.5 58 29 A 30 CYS HBy A 30 CYS HA 1.0 1.8 3.5 59 30 A 30 CYS HA A 31 GLY H 1.0 1.8 3.5 60 31 A 37 TYR H A 30 CYS HA 1.0 1.8 3.5 61 32 A 30 CYS H A 30 CYS HBx 1.0 1.8 3.5 62 32 A 30 CYS HBy A 30 CYS H 1.0 1.8 3.5 63 33 A 56 ILE HB A 30 CYS HBx 1.0 1.8 3.5 64 33 A 30 CYS HBy A 56 ILE HB 1.0 1.8 3.5 65 34 A 31 GLY H A 31 GLY HAx 1.0 1.8 3.5 66 34 A 31 GLY H A 31 GLY HAy 1.0 1.8 3.5 67 35 A 36 THR H A 31 GLY HAx 1.0 1.8 3.5 68 35 A 31 GLY HAy A 36 THR H 1.0 1.8 3.5 69 36 A 32 SER H A 31 GLY HAx 1.0 1.8 3.5 70 36 A 31 GLY HAy A 32 SER H 1.0 1.8 3.5 71 37 A 34 MET H A 31 GLY HAx 1.0 1.8 3.5 72 37 A 31 GLY HAy A 34 MET H 1.0 1.8 3.5 73 38 A 32 SER HA A 32 SER HBx 1.0 1.8 3.5 74 38 A 32 SER HA A 32 SER HBy 1.0 1.8 3.5 75 39 A 32 SER HA A 57 ILE HG1x 1.0 1.8 3.5 76 39 A 32 SER HA A 57 ILE HG1y 1.0 1.8 3.5 77 40 A 9 TYR HD% A 32 SER HBx 1.0 1.8 3.5 78 40 A 9 TYR HD% A 32 SER HBy 1.0 1.8 3.5 79 41 A 32 SER HBx A 55 LYS HBx 1.0 1.8 3.5 80 41 A 32 SER HBy A 55 LYS HBx 1.0 1.8 3.5 81 41 A 55 LYS HBy A 32 SER HBx 1.0 1.8 3.5 82 41 A 55 LYS HBy A 32 SER HBy 1.0 1.8 3.5 83 42 A 33 ASP HA A 33 ASP HBx 1.0 1.8 3.5 84 42 A 33 ASP HA A 33 ASP HBy 1.0 1.8 3.5 85 43 A 34 MET H A 33 ASP HA 1.0 1.8 3.5 86 44 A 33 ASP H A 33 ASP HBx 1.0 1.8 3.5 87 44 A 33 ASP HBy A 33 ASP H 1.0 1.8 3.5 88 45 A 33 ASP H A 33 ASP HBx 1.0 1.8 3.5 89 45 A 33 ASP HBy A 33 ASP H 1.0 1.8 3.5 90 46 A 34 MET H A 33 ASP H 1.0 1.8 3.5 91 47 A 34 MET HA A 34 MET HBx 1.0 1.8 3.5 92 47 A 34 MET HA A 34 MET HBy 1.0 1.8 3.5 93 48 A 34 MET H A 34 MET HA 1.0 1.8 3.5 94 49 A 35 SER HA A 35 SER HBx 1.0 1.8 3.5 95 49 A 35 SER HA A 35 SER HBy 1.0 1.8 3.5 96 50 A 35 SER HA A 35 SER H 1.0 1.8 3.5 97 51 A 36 THR H A 35 SER HA 1.0 1.8 3.5 98 52 A 35 SER HBx A 37 TYR HBx 1.0 1.8 3.5 99 52 A 37 TYR HBy A 35 SER HBx 1.0 1.8 3.5 100 52 A 37 TYR HBy A 35 SER HBy 1.0 1.8 3.5 101 52 A 35 SER HBy A 37 TYR HBx 1.0 1.8 3.5 102 53 A 35 SER H A 35 SER HBx 1.0 1.8 3.5 103 53 A 35 SER HBy A 35 SER H 1.0 1.8 3.5 104 54 A 34 MET H A 35 SER H 1.0 1.8 3.5 105 55 A 36 THR H A 35 SER H 1.0 3.0 6.0 106 56 A 37 TYR H A 36 THR HA 1.0 1.8 3.5 107 57 A 37 TYR HA A 37 TYR HBx 1.0 1.8 3.5 108 57 A 37 TYR HA A 37 TYR HBy 1.0 1.8 3.5 109 58 A 37 TYR HA A 37 TYR HBx 1.0 1.8 3.5 110 58 A 37 TYR HA A 37 TYR HBy 1.0 1.8 3.5 111 59 A 37 TYR HA A 37 TYR HD% 1.0 1.8 3.5 112 60 A 37 TYR HA A 38 ALA H 1.0 1.8 3.5 113 61 A 29 VAL HGx% A 37 TYR HBx 1.0 1.8 3.5 114 61 A 29 VAL HGy% A 37 TYR HBx 1.0 1.8 3.5 115 61 A 37 TYR HBy A 29 VAL HGx% 1.0 1.8 3.5 116 61 A 37 TYR HBy A 29 VAL HGy% 1.0 1.8 3.5 117 62 A 37 TYR HD% A 37 TYR HBx 1.0 1.8 3.5 118 62 A 37 TYR HBy A 37 TYR HD% 1.0 1.8 3.5 119 63 A 37 TYR H A 37 TYR HBx 1.0 1.8 3.5 120 63 A 37 TYR HBy A 37 TYR H 1.0 1.8 3.5 121 64 A 43 LEU HG A 37 TYR HBx 1.0 1.8 3.5 122 64 A 37 TYR HBy A 43 LEU HG 1.0 1.8 3.5 123 65 A 29 VAL HGx% A 37 TYR HBx 1.0 1.8 3.5 124 65 A 29 VAL HGy% A 37 TYR HBx 1.0 1.8 3.5 125 65 A 37 TYR HBy A 29 VAL HGx% 1.0 1.8 3.5 126 65 A 37 TYR HBy A 29 VAL HGy% 1.0 1.8 3.5 127 66 A 37 TYR HD% A 37 TYR HBx 1.0 1.8 3.5 128 66 A 37 TYR HBy A 37 TYR HD% 1.0 1.8 3.5 129 67 A 37 TYR HE% A 37 TYR HBx 1.0 1.8 3.5 130 67 A 37 TYR HBy A 37 TYR HE% 1.0 1.8 3.5 131 68 A 37 TYR HD% A 37 TYR HE% 1.0 1.8 3.5 132 69 A 37 TYR H A 37 TYR HD% 1.0 1.8 3.5 133 70 A 38 ALA H A 38 ALA HA 1.0 1.8 3.5 134 71 A 38 ALA HA A 43 LEU H 1.0 1.8 3.5 135 72 A 38 ALA HB% A 26 PHE HD% 1.0 1.8 3.5 136 73 A 38 ALA HB% A 38 ALA H 1.0 1.8 3.5 137 74 A 38 ALA HB% A 26 PHE HD% 1.0 1.8 3.5 138 75 A 38 ALA HB% A 26 PHE HE% 1.0 1.8 3.5 139 76 A 38 ALA HB% A 38 ALA H 1.0 1.8 3.5 140 77 A 38 ALA HB% A 39 ASN H 1.0 1.8 3.5 141 78 A 39 ASN HA A 40 GLU H 1.0 1.8 3.5 142 79 A 40 GLU HA A 40 GLU HG2 1.0 1.8 3.5 143 79 A 40 GLU HA A 40 GLU HG3 1.0 1.8 3.5 144 80 A 40 GLU HA A 41 CYS H 1.0 1.8 3.5 145 81 A 41 CYS HA A 41 CYS HB2 1.0 1.8 3.5 146 81 A 41 CYS HB3 A 41 CYS HA 1.0 1.8 3.5 147 82 A 41 CYS HA A 45 MET HB2 1.0 1.8 3.5 148 82 A 41 CYS HA A 45 MET HB3 1.0 1.8 3.5 149 83 A 41 CYS HA A 45 MET HGx 1.0 1.8 3.5 150 83 A 41 CYS HA A 45 MET HGy 1.0 1.8 3.5 151 84 A 42 THR HA A 45 MET HB2 1.0 1.8 3.5 152 84 A 45 MET HB3 A 42 THR HA 1.0 1.8 3.5 153 85 A 43 LEU HA A 43 LEU HBx 1.0 1.8 3.5 154 85 A 43 LEU HBy A 43 LEU HA 1.0 1.8 3.5 155 86 A 43 LEU HA A 43 LEU HDx% 1.0 1.8 3.5 156 86 A 43 LEU HDy% A 43 LEU HA 1.0 1.8 3.5 157 87 A 43 LEU HG A 43 LEU HA 1.0 1.8 3.5 158 88 A 43 LEU HA A 46 LYS HB2 1.0 1.8 3.5 159 88 A 43 LEU HA A 46 LYS HB3 1.0 1.8 3.5 160 89 A 43 LEU HBx A 43 LEU HDx% 1.0 1.8 3.5 161 89 A 43 LEU HBy A 43 LEU HDx% 1.0 1.8 3.5 162 89 A 43 LEU HDy% A 43 LEU HBx 1.0 1.8 3.5 163 89 A 43 LEU HBy A 43 LEU HDy% 1.0 1.8 3.5 164 90 A 43 LEU HBx A 43 LEU HDx% 1.0 1.8 3.5 165 90 A 43 LEU HBy A 43 LEU HDx% 1.0 1.8 3.5 166 90 A 43 LEU HDy% A 43 LEU HBx 1.0 1.8 3.5 167 90 A 43 LEU HBy A 43 LEU HDy% 1.0 1.8 3.5 168 91 A 43 LEU H A 43 LEU HBx 1.0 1.8 3.5 169 91 A 43 LEU HBy A 43 LEU H 1.0 1.8 3.5 170 92 A 43 LEU HBy A 54 ILE HG1x 1.0 1.8 3.5 171 92 A 43 LEU HBx A 54 ILE HG1x 1.0 1.8 3.5 172 92 A 54 ILE HG1y A 43 LEU HBx 1.0 1.8 3.5 173 92 A 43 LEU HBy A 54 ILE HG1y 1.0 1.8 3.5 174 93 A 43 LEU HBx A 43 LEU HDx% 1.0 1.8 3.5 175 93 A 43 LEU HBy A 43 LEU HDx% 1.0 1.8 3.5 176 93 A 43 LEU HDy% A 43 LEU HBx 1.0 1.8 3.5 177 93 A 43 LEU HBy A 43 LEU HDy% 1.0 1.8 3.5 178 94 A 43 LEU HG A 43 LEU HDx% 1.0 1.8 3.5 179 94 A 43 LEU HG A 43 LEU HDy% 1.0 1.8 3.5 180 95 A 43 LEU HG A 43 LEU HDx% 1.0 1.8 3.5 181 95 A 43 LEU HG A 43 LEU HDy% 1.0 1.8 3.5 182 96 A 43 LEU HG A 43 LEU H 1.0 1.8 3.5 183 97 A 43 LEU H A 41 CYS H 1.0 1.8 3.5 184 98 A 43 LEU H A 42 THR H 1.0 1.8 3.5 185 99 A 43 LEU H A 44 CYS H 1.0 1.8 3.5 186 100 A 44 CYS HA A 43 LEU HBx 1.0 1.8 3.5 187 100 A 43 LEU HBy A 44 CYS HA 1.0 1.8 3.5 188 101 A 44 CYS HA A 44 CYS HBx 1.0 1.8 3.5 189 101 A 44 CYS HA A 44 CYS HBy 1.0 1.8 3.5 190 102 A 44 CYS HA A 44 CYS HBx 1.0 1.8 3.5 191 102 A 44 CYS HA A 44 CYS HBy 1.0 1.8 3.5 192 103 A 44 CYS HA A 44 CYS H 1.0 1.8 3.5 193 104 A 44 CYS H A 44 CYS HBx 1.0 1.8 3.5 194 104 A 44 CYS HBy A 44 CYS H 1.0 1.8 3.5 195 105 A 45 MET HA A 45 MET HB2 1.0 1.8 3.5 196 105 A 45 MET HB3 A 45 MET HA 1.0 1.8 3.5 197 106 A 45 MET HA A 45 MET HGx 1.0 1.8 3.5 198 106 A 45 MET HGy A 45 MET HA 1.0 1.8 3.5 199 107 A 46 LYS H A 45 MET HB2 1.0 1.8 3.5 200 107 A 45 MET HB3 A 46 LYS H 1.0 1.8 3.5 201 108 A 46 LYS H A 45 MET HGx 1.0 1.8 3.5 202 108 A 45 MET HGy A 46 LYS H 1.0 1.8 3.5 203 109 A 41 CYS HB3 A 45 MET HGx 1.0 1.8 3.5 204 109 A 41 CYS HB2 A 45 MET HGx 1.0 1.8 3.5 205 109 A 45 MET HGy A 41 CYS HB2 1.0 1.8 3.5 206 109 A 41 CYS HB3 A 45 MET HGy 1.0 1.8 3.5 207 110 A 45 MET HB2 A 45 MET HGx 1.0 1.8 3.5 208 110 A 45 MET HGy A 45 MET HB2 1.0 1.8 3.5 209 110 A 45 MET HB3 A 45 MET HGy 1.0 1.8 3.5 210 110 A 45 MET HB3 A 45 MET HGx 1.0 1.8 3.5 211 111 A 46 LYS H A 46 LYS HA 1.0 1.8 3.5 212 112 A 46 LYS HA A 50 GLY H 1.0 1.8 3.5 213 113 A 43 LEU HDy% A 46 LYS HB2 1.0 1.8 3.5 214 113 A 43 LEU HDx% A 46 LYS HB2 1.0 1.8 3.5 215 113 A 46 LYS HB3 A 43 LEU HDx% 1.0 1.8 3.5 216 113 A 43 LEU HDy% A 46 LYS HB3 1.0 1.8 3.5 217 114 A 46 LYS HB2 A 46 LYS HG2 1.0 1.8 3.5 218 114 A 46 LYS HB3 A 46 LYS HG2 1.0 1.8 3.5 219 114 A 46 LYS HG3 A 46 LYS HB2 1.0 1.8 3.5 220 114 A 46 LYS HG3 A 46 LYS HB3 1.0 1.8 3.5 221 115 A 47 ILE H A 46 LYS HB2 1.0 1.8 3.5 222 115 A 47 ILE H A 46 LYS HB3 1.0 1.8 3.5 223 116 A 46 LYS H A 46 LYS HG2 1.0 1.8 3.5 224 116 A 46 LYS HG3 A 46 LYS H 1.0 1.8 3.5 225 117 A 48 ARG H A 46 LYS HG2 1.0 3.0 6.0 226 117 A 46 LYS HG3 A 48 ARG H 1.0 3.0 6.0 227 118 A 47 ILE HA A 47 ILE HG1x 1.0 1.8 3.5 228 118 A 47 ILE HA A 47 ILE HG1y 1.0 1.8 3.5 229 119 A 47 ILE HA A 51 GLY H 1.0 1.8 3.5 230 120 A 47 ILE HB A 47 ILE HG1x 1.0 1.8 3.5 231 120 A 47 ILE HB A 47 ILE HG1y 1.0 1.8 3.5 232 121 A 54 ILE H A 47 ILE HG1x 1.0 1.8 3.5 233 121 A 47 ILE HG1y A 54 ILE H 1.0 1.8 3.5 234 122 A 54 ILE H A 47 ILE HG1x 1.0 1.8 3.5 235 122 A 47 ILE HG1y A 54 ILE H 1.0 1.8 3.5 236 123 A 49 GLU H A 48 ARG HB2 1.0 1.8 3.5 237 123 A 48 ARG HB3 A 49 GLU H 1.0 1.8 3.5 238 124 A 49 GLU HA A 49 GLU HGx 1.0 1.8 3.5 239 124 A 49 GLU HGy A 49 GLU HA 1.0 1.8 3.5 240 125 A 49 GLU HA A 52 HIS H 1.0 1.8 3.5 241 126 A 49 GLU H A 49 GLU HGx 1.0 1.8 3.5 242 126 A 49 GLU HGy A 49 GLU H 1.0 1.8 3.5 243 127 A 52 HIS HA A 52 HIS HBx 1.0 1.8 3.5 244 127 A 52 HIS HA A 52 HIS HBy 1.0 1.8 3.5 245 128 A 52 HIS HA A 52 HIS HBx 1.0 1.8 3.5 246 128 A 52 HIS HA A 52 HIS HBy 1.0 1.8 3.5 247 129 A 52 HIS H A 52 HIS HA 1.0 1.8 3.5 248 130 A 52 HIS HA A 53 ASN H 1.0 1.8 3.5 249 131 A 52 HIS H A 52 HIS HBx 1.0 1.8 3.5 250 131 A 52 HIS H A 52 HIS HBy 1.0 1.8 3.5 251 132 A 52 HIS H A 52 HIS HBx 1.0 1.8 3.5 252 132 A 52 HIS H A 52 HIS HBy 1.0 1.8 3.5 253 133 A 53 ASN HA A 53 ASN HB2 1.0 1.8 3.5 254 133 A 53 ASN HA A 53 ASN HB3 1.0 1.8 3.5 255 134 A 54 ILE H A 53 ASN HA 1.0 1.8 3.5 256 135 A 53 ASN H A 53 ASN HB2 1.0 1.8 3.5 257 135 A 53 ASN H A 53 ASN HB3 1.0 1.8 3.5 258 136 A 54 ILE HA A 54 ILE H 1.0 1.8 3.5 259 137 A 55 LYS H A 54 ILE HA 1.0 1.8 3.5 260 138 A 54 ILE HB A 43 LEU HDx% 1.0 1.8 3.5 261 138 A 43 LEU HDy% A 54 ILE HB 1.0 1.8 3.5 262 139 A 54 ILE H A 54 ILE HG1x 1.0 1.8 3.5 263 139 A 54 ILE HG1y A 54 ILE H 1.0 1.8 3.5 264 140 A 55 LYS HA A 55 LYS HBx 1.0 1.8 3.5 265 140 A 55 LYS HBy A 55 LYS HA 1.0 1.8 3.5 266 141 A 55 LYS HA A 55 LYS HBx 1.0 1.8 3.5 267 141 A 55 LYS HBy A 55 LYS HA 1.0 1.8 3.5 268 142 A 55 LYS HA A 55 LYS HGx 1.0 1.8 3.5 269 142 A 55 LYS HGy A 55 LYS HA 1.0 1.8 3.5 270 143 A 55 LYS H A 55 LYS HA 1.0 1.8 3.5 271 144 A 56 ILE H A 55 LYS HBx 1.0 1.8 3.5 272 144 A 55 LYS HBy A 56 ILE H 1.0 1.8 3.5 273 145 A 9 TYR HD% A 55 LYS HBx 1.0 1.8 3.5 274 145 A 9 TYR HD% A 55 LYS HBy 1.0 1.8 3.5 275 146 A 56 ILE H A 55 LYS HBx 1.0 1.8 3.5 276 146 A 55 LYS HBy A 56 ILE H 1.0 1.8 3.5 277 147 A 9 TYR HD% A 55 LYS HGx 1.0 1.8 3.5 278 147 A 55 LYS HGy A 9 TYR HD% 1.0 1.8 3.5 279 148 A 55 LYS H A 55 LYS HGx 1.0 1.8 3.5 280 148 A 55 LYS H A 55 LYS HGy 1.0 1.8 3.5 281 149 A 56 ILE HA A 43 LEU HDx% 1.0 1.8 3.5 282 149 A 43 LEU HDy% A 56 ILE HA 1.0 1.8 3.5 283 150 A 56 ILE HA A 56 ILE HB 1.0 1.8 3.5 284 151 A 56 ILE HB A 56 ILE H 1.0 1.8 3.5 285 152 A 57 ILE HB A 57 ILE HA 1.0 1.8 3.5 286 153 A 57 ILE HB A 9 TYR HE% 1.0 1.8 3.5 287 154 A 58 ARG H A 57 ILE HB 1.0 1.8 3.5 288 155 A 58 ARG HA A 30 CYS HBx 1.0 1.8 3.5 289 155 A 30 CYS HBy A 58 ARG HA 1.0 1.8 3.5 290 156 A 58 ARG HA A 59 ASN H 1.0 1.8 3.5 291 157 A 58 ARG HB3 A 58 ARG HGx 1.0 1.8 3.5 292 157 A 58 ARG HB2 A 58 ARG HGx 1.0 1.8 3.5 293 157 A 58 ARG HGy A 58 ARG HB2 1.0 1.8 3.5 294 157 A 58 ARG HGy A 58 ARG HB3 1.0 1.8 3.5 295 158 A 58 ARG H A 58 ARG HB2 1.0 1.8 3.5 296 158 A 58 ARG H A 58 ARG HB3 1.0 1.8 3.5 297 159 A 58 ARG H A 57 ILE H 1.0 1.8 3.5 298 160 A 59 ASN HA A 29 VAL HGx% 1.0 1.8 3.5 299 160 A 29 VAL HGy% A 59 ASN HA 1.0 1.8 3.5 300 161 A 59 ASN HA A 59 ASN HBx 1.0 1.8 3.5 301 161 A 59 ASN HA A 59 ASN HBy 1.0 1.8 3.5 302 162 A 60 GLY H A 59 ASN HA 1.0 1.8 3.5 303 163 A 29 VAL HGx% A 59 ASN HBx 1.0 1.8 3.5 304 163 A 29 VAL HGy% A 59 ASN HBx 1.0 1.8 3.5 305 163 A 59 ASN HBy A 29 VAL HGx% 1.0 1.8 3.5 306 163 A 29 VAL HGy% A 59 ASN HBy 1.0 1.8 3.5 307 164 A 59 ASN H A 59 ASN HBx 1.0 1.8 3.5 308 164 A 59 ASN H A 59 ASN HBy 1.0 1.8 3.5 309 165 A 59 ASN HBx A 59 ASN HD2y 1.0 1.8 3.5 310 165 A 59 ASN HBy A 59 ASN HD2y 1.0 1.8 3.5 311 165 A 59 ASN HD2x A 59 ASN HBx 1.0 1.8 3.5 312 165 A 59 ASN HBy A 59 ASN HD2x 1.0 1.8 3.5 313 166 A 28 PRO HBy A 60 GLY HAx 1.0 1.8 3.5 314 166 A 28 PRO HBx A 60 GLY HAx 1.0 1.8 3.5 315 166 A 60 GLY HAy A 28 PRO HBy 1.0 1.8 3.5 316 166 A 28 PRO HBx A 60 GLY HAy 1.0 1.8 3.5 317 167 A 60 GLY H A 60 GLY HAx 1.0 1.8 3.5 318 167 A 60 GLY H A 60 GLY HAy 1.0 1.8 3.5 319 168 A 62 CYS H A 62 CYS HBx 1.0 1.8 3.5 320 168 A 62 CYS HBy A 62 CYS H 1.0 1.8 3.5 321 169 A 2 GLN HA A 2 GLN H 1.0 2.0 4.0 322 170 A 3 PHE HA A 3 PHE HBx 1.0 2.0 4.0 323 170 A 3 PHE HA A 3 PHE HBy 1.0 2.0 4.0 324 171 A 3 PHE HA A 3 PHE H 1.0 2.0 4.0 325 172 A 3 PHE HA A 4 GLY H 1.0 2.0 4.0 326 173 A 3 PHE H A 3 PHE HBx 1.0 2.0 4.0 327 173 A 3 PHE HBy A 3 PHE H 1.0 2.0 4.0 328 174 A 4 GLY H A 3 PHE HBx 1.0 2.0 4.0 329 174 A 3 PHE HBy A 4 GLY H 1.0 2.0 4.0 330 175 A 5 LEU HA A 5 LEU H 1.0 2.0 4.0 331 176 A 5 LEU H A 5 LEU HB2 1.0 2.0 4.0 332 176 A 5 LEU HB3 A 5 LEU H 1.0 2.0 4.0 333 177 A 5 LEU HG A 5 LEU H 1.0 2.0 4.0 334 178 A 6 PHE HA A 6 PHE HBx 1.0 2.0 4.0 335 178 A 6 PHE HA A 6 PHE HBy 1.0 2.0 4.0 336 179 A 6 PHE HA A 6 PHE HD% 1.0 2.0 4.0 337 180 A 6 PHE HA A 6 PHE H 1.0 2.0 4.0 338 181 A 6 PHE H A 6 PHE HBx 1.0 2.0 4.0 339 181 A 6 PHE HBy A 6 PHE H 1.0 2.0 4.0 340 182 A 7 SER H A 6 PHE HBx 1.0 2.0 4.0 341 182 A 6 PHE HBy A 7 SER H 1.0 2.0 4.0 342 183 A 6 PHE HD% A 6 PHE H 1.0 2.0 4.0 343 184 A 7 SER HA A 7 SER HBy 1.0 2.0 4.0 344 184 A 7 SER HA A 7 SER HBx 1.0 2.0 4.0 345 185 A 7 SER H A 7 SER HA 1.0 2.0 4.0 346 186 A 8 LYS H A 7 SER HBy 1.0 2.0 4.0 347 186 A 7 SER HBx A 8 LYS H 1.0 2.0 4.0 348 187 A 7 SER H A 7 SER HBy 1.0 2.0 4.0 349 187 A 7 SER H A 7 SER HBx 1.0 2.0 4.0 350 188 A 7 SER H A 7 SER HBy 1.0 2.0 4.0 351 188 A 7 SER H A 7 SER HBx 1.0 2.0 4.0 352 189 A 8 LYS H A 8 LYS HB2 1.0 2.0 4.0 353 189 A 8 LYS H A 8 LYS HB3 1.0 2.0 4.0 354 190 A 9 TYR H A 8 LYS HB2 1.0 2.0 4.0 355 190 A 8 LYS HB3 A 9 TYR H 1.0 2.0 4.0 356 191 A 8 LYS H A 8 LYS HGx 1.0 2.0 4.0 357 191 A 8 LYS H A 8 LYS HGy 1.0 2.0 4.0 358 192 A 9 TYR H A 8 LYS HGx 1.0 2.0 4.0 359 192 A 9 TYR H A 8 LYS HGy 1.0 2.0 4.0 360 193 A 9 TYR HA A 9 TYR HE% 1.0 2.0 4.0 361 194 A 9 TYR H A 9 TYR HA 1.0 2.0 4.0 362 195 A 9 TYR HE% A 9 TYR HBx 1.0 2.0 4.0 363 195 A 9 TYR HBy A 9 TYR HE% 1.0 2.0 4.0 364 196 A 9 TYR H A 9 TYR HBx 1.0 2.0 4.0 365 196 A 9 TYR HBy A 9 TYR H 1.0 2.0 4.0 366 197 A 10 ARG H A 9 TYR HBx 1.0 2.0 4.0 367 197 A 9 TYR HBy A 10 ARG H 1.0 2.0 4.0 368 198 A 9 TYR HBx A 55 LYS HBx 1.0 2.0 4.0 369 198 A 9 TYR HBy A 55 LYS HBx 1.0 2.0 4.0 370 198 A 55 LYS HBy A 9 TYR HBx 1.0 2.0 4.0 371 198 A 9 TYR HBy A 55 LYS HBy 1.0 2.0 4.0 372 199 A 9 TYR HE% A 9 TYR HBx 1.0 2.0 4.0 373 199 A 9 TYR HBy A 9 TYR HE% 1.0 2.0 4.0 374 200 A 9 TYR H A 9 TYR HBx 1.0 2.0 4.0 375 200 A 9 TYR HBy A 9 TYR H 1.0 2.0 4.0 376 201 A 10 ARG H A 9 TYR HBx 1.0 2.0 4.0 377 201 A 9 TYR HBy A 10 ARG H 1.0 2.0 4.0 378 202 A 9 TYR HBx A 55 LYS HBx 1.0 2.0 4.0 379 202 A 9 TYR HBy A 55 LYS HBx 1.0 2.0 4.0 380 202 A 55 LYS HBy A 9 TYR HBx 1.0 2.0 4.0 381 202 A 9 TYR HBy A 55 LYS HBy 1.0 2.0 4.0 382 203 A 9 TYR HBx A 55 LYS HGx 1.0 2.0 4.0 383 203 A 9 TYR HBy A 55 LYS HGx 1.0 2.0 4.0 384 203 A 55 LYS HGy A 9 TYR HBx 1.0 2.0 4.0 385 203 A 9 TYR HBy A 55 LYS HGy 1.0 2.0 4.0 386 204 A 9 TYR H A 9 TYR HD% 1.0 2.0 4.0 387 205 A 9 TYR HD% A 10 ARG H 1.0 2.0 4.0 388 206 A 9 TYR HD% A 10 ARG HA 1.0 2.0 4.0 389 207 A 10 ARG HA A 10 ARG HB2 1.0 2.0 4.0 390 207 A 10 ARG HB3 A 10 ARG HA 1.0 2.0 4.0 391 208 A 10 ARG HA A 10 ARG HG2 1.0 2.0 4.0 392 208 A 10 ARG HG3 A 10 ARG HA 1.0 2.0 4.0 393 209 A 10 ARG H A 10 ARG HA 1.0 2.0 4.0 394 210 A 10 ARG H A 11 THR H 1.0 2.0 4.0 395 211 A 11 THR HA A 10 ARG HH11 1.0 2.0 4.0 396 212 A 11 THR H A 11 THR HA 1.0 2.0 4.0 397 213 A 13 ASN H A 12 PRO HB2 1.0 2.0 4.0 398 213 A 12 PRO HB3 A 13 ASN H 1.0 2.0 4.0 399 214 A 13 ASN HBy A 13 ASN HD2y 1.0 2.0 4.0 400 214 A 13 ASN HBx A 13 ASN HD2y 1.0 2.0 4.0 401 214 A 13 ASN HD2x A 13 ASN HBx 1.0 2.0 4.0 402 214 A 13 ASN HBy A 13 ASN HD2x 1.0 2.0 4.0 403 215 A 13 ASN H A 13 ASN HBx 1.0 2.0 4.0 404 215 A 13 ASN HBy A 13 ASN H 1.0 2.0 4.0 405 216 A 14 CYS H A 13 ASN HBx 1.0 2.0 4.0 406 216 A 13 ASN HBy A 14 CYS H 1.0 2.0 4.0 407 217 A 14 CYS HA A 14 CYS HBx 1.0 2.0 4.0 408 217 A 14 CYS HBy A 14 CYS HA 1.0 2.0 4.0 409 218 A 14 CYS HA A 14 CYS HBx 1.0 2.0 4.0 410 218 A 14 CYS HBy A 14 CYS HA 1.0 2.0 4.0 411 219 A 14 CYS H A 14 CYS HA 1.0 2.0 4.0 412 220 A 14 CYS HA A 15 SER H 1.0 2.0 4.0 413 221 A 14 CYS HA A 17 TYR HE% 1.0 2.0 4.0 414 222 A 15 SER HA A 15 SER H 1.0 2.0 4.0 415 223 A 15 SER HA A 16 GLN H 1.0 2.0 4.0 416 224 A 16 GLN H A 15 SER HB2 1.0 2.0 4.0 417 224 A 15 SER HB3 A 16 GLN H 1.0 2.0 4.0 418 225 A 16 GLN HA A 16 GLN HGx 1.0 2.0 4.0 419 225 A 16 GLN HA A 16 GLN HGy 1.0 2.0 4.0 420 226 A 16 GLN HA A 16 GLN H 1.0 2.0 4.0 421 227 A 16 GLN H A 16 GLN HBx 1.0 2.0 4.0 422 227 A 16 GLN HBy A 16 GLN H 1.0 2.0 4.0 423 228 A 16 GLN H A 16 GLN HBx 1.0 2.0 4.0 424 228 A 16 GLN HBy A 16 GLN H 1.0 2.0 4.0 425 229 A 16 GLN HE2y A 16 GLN HGx 1.0 2.0 4.0 426 229 A 16 GLN HGy A 16 GLN HE2y 1.0 2.0 4.0 427 229 A 16 GLN HE2x A 16 GLN HGy 1.0 2.0 4.0 428 229 A 16 GLN HE2x A 16 GLN HGx 1.0 2.0 4.0 429 230 A 16 GLN H A 16 GLN HGx 1.0 2.0 4.0 430 230 A 16 GLN HGy A 16 GLN H 1.0 2.0 4.0 431 231 A 15 SER H A 16 GLN H 1.0 2.0 4.0 432 232 A 17 TYR HA A 17 TYR HE% 1.0 2.0 4.0 433 233 A 17 TYR H A 17 TYR HA 1.0 2.0 4.0 434 234 A 17 TYR HD% A 17 TYR HBx 1.0 2.0 4.0 435 234 A 17 TYR HBy A 17 TYR HD% 1.0 2.0 4.0 436 235 A 17 TYR HE% A 17 TYR HBx 1.0 2.0 4.0 437 235 A 17 TYR HBy A 17 TYR HE% 1.0 2.0 4.0 438 236 A 17 TYR HD% A 18 ARG H 1.0 2.0 4.0 439 237 A 17 TYR H A 16 GLN H 1.0 2.0 4.0 440 238 A 18 ARG H A 18 ARG HB2 1.0 2.0 4.0 441 239 A 19 LEU H A 19 LEU HA 1.0 2.0 4.0 442 240 A 19 LEU HB3 A 19 LEU HDx% 1.0 2.0 4.0 443 240 A 19 LEU HB2 A 19 LEU HDx% 1.0 2.0 4.0 444 240 A 19 LEU HDy% A 19 LEU HB2 1.0 2.0 4.0 445 240 A 19 LEU HDy% A 19 LEU HB3 1.0 2.0 4.0 446 241 A 22 CYS H A 19 LEU HB2 1.0 2.0 4.0 447 241 A 22 CYS H A 19 LEU HB3 1.0 2.0 4.0 448 242 A 19 LEU HG A 19 LEU H 1.0 2.0 4.0 449 243 A 19 LEU HG A 21 GLY H 1.0 2.0 4.0 450 244 A 20 PRO HA A 21 GLY H 1.0 2.0 4.0 451 245 A 19 LEU HB3 A 20 PRO HDx 1.0 2.0 4.0 452 245 A 19 LEU HB2 A 20 PRO HDx 1.0 2.0 4.0 453 245 A 20 PRO HDy A 19 LEU HB2 1.0 2.0 4.0 454 245 A 19 LEU HB3 A 20 PRO HDy 1.0 2.0 4.0 455 246 A 20 PRO HDx A 20 PRO HG2 1.0 2.0 4.0 456 246 A 20 PRO HDy A 20 PRO HG2 1.0 2.0 4.0 457 246 A 20 PRO HG3 A 20 PRO HDx 1.0 2.0 4.0 458 246 A 20 PRO HG3 A 20 PRO HDy 1.0 2.0 4.0 459 247 A 21 GLY H A 20 PRO HDx 1.0 2.0 4.0 460 247 A 20 PRO HDy A 21 GLY H 1.0 2.0 4.0 461 248 A 21 GLY H A 21 GLY HAx 1.0 2.0 4.0 462 248 A 21 GLY HAy A 21 GLY H 1.0 2.0 4.0 463 249 A 22 CYS HA A 22 CYS HBx 1.0 2.0 4.0 464 249 A 22 CYS HBy A 22 CYS HA 1.0 2.0 4.0 465 250 A 22 CYS H A 22 CYS HA 1.0 2.0 4.0 466 251 A 22 CYS HA A 23 PRO HDx 1.0 2.0 4.0 467 251 A 23 PRO HDy A 22 CYS HA 1.0 2.0 4.0 468 252 A 22 CYS HBx A 41 CYS HB2 1.0 2.0 4.0 469 252 A 22 CYS HBy A 41 CYS HB2 1.0 2.0 4.0 470 252 A 41 CYS HB3 A 22 CYS HBx 1.0 2.0 4.0 471 252 A 22 CYS HBy A 41 CYS HB3 1.0 2.0 4.0 472 253 A 23 PRO HA A 23 PRO HGx 1.0 2.0 4.0 473 253 A 23 PRO HA A 23 PRO HGy 1.0 2.0 4.0 474 254 A 24 ARG H A 23 PRO HGx 1.0 2.0 4.0 475 254 A 23 PRO HGy A 24 ARG H 1.0 2.0 4.0 476 255 A 23 PRO HBx A 23 PRO HGx 1.0 2.0 4.0 477 255 A 23 PRO HBy A 23 PRO HGx 1.0 2.0 4.0 478 255 A 23 PRO HGy A 23 PRO HBx 1.0 2.0 4.0 479 255 A 23 PRO HBy A 23 PRO HGy 1.0 2.0 4.0 480 256 A 24 ARG HA A 24 ARG HGx 1.0 2.0 4.0 481 256 A 24 ARG HA A 24 ARG HGy 1.0 2.0 4.0 482 257 A 24 ARG HA A 24 ARG HGx 1.0 2.0 4.0 483 257 A 24 ARG HA A 24 ARG HGy 1.0 2.0 4.0 484 258 A 24 ARG HA A 25 HIS H 1.0 2.0 4.0 485 259 A 24 ARG HB2 A 24 ARG HGx 1.0 2.0 4.0 486 259 A 24 ARG HB3 A 24 ARG HGx 1.0 2.0 4.0 487 259 A 24 ARG HGy A 24 ARG HB2 1.0 2.0 4.0 488 259 A 24 ARG HB3 A 24 ARG HGy 1.0 2.0 4.0 489 260 A 24 ARG H A 24 ARG HB2 1.0 2.0 4.0 490 260 A 24 ARG H A 24 ARG HB3 1.0 2.0 4.0 491 261 A 26 PHE HD% A 24 ARG HB2 1.0 2.0 4.0 492 261 A 24 ARG HB3 A 26 PHE HD% 1.0 2.0 4.0 493 262 A 26 PHE HE% A 24 ARG HB2 1.0 2.0 4.0 494 262 A 24 ARG HB3 A 26 PHE HE% 1.0 2.0 4.0 495 263 A 25 HIS H A 24 ARG HGx 1.0 2.0 4.0 496 263 A 24 ARG HGy A 25 HIS H 1.0 2.0 4.0 497 264 A 25 HIS HA A 25 HIS H 1.0 2.0 4.0 498 265 A 25 HIS H A 25 HIS HB2 1.0 2.0 4.0 499 265 A 25 HIS HB3 A 25 HIS H 1.0 2.0 4.0 500 266 A 26 PHE H A 25 HIS HB2 1.0 2.0 4.0 501 266 A 25 HIS HB3 A 26 PHE H 1.0 2.0 4.0 502 267 A 24 ARG H A 25 HIS H 1.0 2.0 4.0 503 268 A 27 ASN HA A 39 ASN HD2y 1.0 2.0 4.0 504 268 A 27 ASN HA A 39 ASN HD2x 1.0 2.0 4.0 505 269 A 27 ASN HBx A 27 ASN HD2y 1.0 2.0 4.0 506 269 A 27 ASN HBy A 27 ASN HD2y 1.0 2.0 4.0 507 269 A 27 ASN HD2x A 27 ASN HBx 1.0 2.0 4.0 508 269 A 27 ASN HD2x A 27 ASN HBy 1.0 2.0 4.0 509 270 A 27 ASN H A 27 ASN HBx 1.0 2.0 4.0 510 270 A 27 ASN H A 27 ASN HBy 1.0 2.0 4.0 511 271 A 27 ASN HBx A 27 ASN HD2y 1.0 2.0 4.0 512 271 A 27 ASN HBy A 27 ASN HD2y 1.0 2.0 4.0 513 271 A 27 ASN HD2x A 27 ASN HBx 1.0 2.0 4.0 514 271 A 27 ASN HD2x A 27 ASN HBy 1.0 2.0 4.0 515 272 A 27 ASN HBx A 27 ASN HD2y 1.0 2.0 4.0 516 272 A 27 ASN HBy A 27 ASN HD2y 1.0 2.0 4.0 517 272 A 27 ASN HD2x A 27 ASN HBx 1.0 2.0 4.0 518 272 A 27 ASN HD2x A 27 ASN HBy 1.0 2.0 4.0 519 273 A 27 ASN H A 27 ASN HBx 1.0 2.0 4.0 520 273 A 27 ASN H A 27 ASN HBy 1.0 2.0 4.0 521 274 A 28 PRO HA A 28 PRO HBy 1.0 2.0 4.0 522 274 A 28 PRO HBx A 28 PRO HA 1.0 2.0 4.0 523 275 A 28 PRO HA A 28 PRO HGx 1.0 2.0 4.0 524 275 A 28 PRO HA A 28 PRO HGy 1.0 2.0 4.0 525 276 A 28 PRO HA A 29 VAL HGx% 1.0 2.0 4.0 526 276 A 28 PRO HA A 29 VAL HGy% 1.0 2.0 4.0 527 277 A 38 ALA HB% A 28 PRO HA 1.0 2.0 4.0 528 278 A 26 PHE HE% A 28 PRO HGx 1.0 2.0 4.0 529 278 A 28 PRO HGy A 26 PHE HE% 1.0 2.0 4.0 530 279 A 29 VAL H A 28 PRO HGx 1.0 2.0 4.0 531 279 A 29 VAL H A 28 PRO HGy 1.0 2.0 4.0 532 280 A 29 VAL HA A 29 VAL HGx% 1.0 2.0 4.0 533 280 A 29 VAL HA A 29 VAL HGy% 1.0 2.0 4.0 534 281 A 29 VAL H A 29 VAL HA 1.0 2.0 4.0 535 282 A 29 VAL HB A 29 VAL HGx% 1.0 2.0 4.0 536 282 A 29 VAL HB A 29 VAL HGy% 1.0 2.0 4.0 537 283 A 29 VAL H A 29 VAL HGx% 1.0 2.0 4.0 538 283 A 29 VAL H A 29 VAL HGy% 1.0 2.0 4.0 539 284 A 30 CYS H A 29 VAL HGx% 1.0 2.0 4.0 540 284 A 29 VAL HGy% A 30 CYS H 1.0 2.0 4.0 541 285 A 60 GLY H A 29 VAL HGx% 1.0 2.0 4.0 542 285 A 29 VAL HGy% A 60 GLY H 1.0 2.0 4.0 543 286 A 30 CYS H A 29 VAL HGx% 1.0 2.0 4.0 544 286 A 29 VAL HGy% A 30 CYS H 1.0 2.0 4.0 545 287 A 37 TYR HD% A 29 VAL HGx% 1.0 2.0 4.0 546 287 A 29 VAL HGy% A 37 TYR HD% 1.0 2.0 4.0 547 288 A 37 TYR H A 29 VAL HGx% 1.0 2.0 4.0 548 288 A 29 VAL HGy% A 37 TYR H 1.0 2.0 4.0 549 289 A 30 CYS HA A 30 CYS HBx 1.0 2.0 4.0 550 289 A 30 CYS HBy A 30 CYS HA 1.0 2.0 4.0 551 290 A 30 CYS H A 30 CYS HA 1.0 2.0 4.0 552 291 A 30 CYS HA A 37 TYR HD% 1.0 2.0 4.0 553 292 A 57 ILE HB A 30 CYS HBx 1.0 2.0 4.0 554 292 A 30 CYS HBy A 57 ILE HB 1.0 2.0 4.0 555 293 A 30 CYS HBx A 57 ILE HG1x 1.0 2.0 4.0 556 293 A 57 ILE HG1y A 30 CYS HBx 1.0 2.0 4.0 557 293 A 30 CYS HBy A 57 ILE HG1y 1.0 2.0 4.0 558 293 A 30 CYS HBy A 57 ILE HG1x 1.0 2.0 4.0 559 294 A 30 CYS HBy A 58 ARG HB2 1.0 2.0 4.0 560 294 A 30 CYS HBx A 58 ARG HB2 1.0 2.0 4.0 561 295 A 30 CYS HBy A 62 CYS HBx 1.0 2.0 4.0 562 295 A 30 CYS HBx A 62 CYS HBx 1.0 2.0 4.0 563 295 A 62 CYS HBy A 30 CYS HBx 1.0 2.0 4.0 564 295 A 30 CYS HBy A 62 CYS HBy 1.0 2.0 4.0 565 296 A 31 GLY H A 30 CYS HBx 1.0 2.0 4.0 566 296 A 30 CYS HBy A 31 GLY H 1.0 2.0 4.0 567 297 A 30 CYS H A 31 GLY H 1.0 2.0 4.0 568 298 A 32 SER H A 31 GLY HAx 1.0 2.0 4.0 569 298 A 31 GLY HAy A 32 SER H 1.0 2.0 4.0 570 299 A 35 SER H A 31 GLY HAx 1.0 2.0 4.0 571 299 A 31 GLY HAy A 35 SER H 1.0 2.0 4.0 572 300 A 37 TYR HD% A 31 GLY HAx 1.0 2.0 4.0 573 300 A 31 GLY HAy A 37 TYR HD% 1.0 2.0 4.0 574 301 A 37 TYR HE% A 31 GLY HAx 1.0 2.0 4.0 575 301 A 31 GLY HAy A 37 TYR HE% 1.0 2.0 4.0 576 302 A 31 GLY H A 31 GLY HAx 1.0 2.0 4.0 577 302 A 31 GLY H A 31 GLY HAy 1.0 2.0 4.0 578 303 A 37 TYR HD% A 31 GLY HAx 1.0 2.0 4.0 579 303 A 31 GLY HAy A 37 TYR HD% 1.0 2.0 4.0 580 304 A 37 TYR HE% A 31 GLY HAx 1.0 2.0 4.0 581 304 A 31 GLY HAy A 37 TYR HE% 1.0 2.0 4.0 582 305 A 32 SER HA A 32 SER H 1.0 2.0 4.0 583 306 A 32 SER HA A 33 ASP H 1.0 2.0 4.0 584 307 A 32 SER HA A 34 MET H 1.0 2.0 4.0 585 308 A 9 TYR HE% A 32 SER HBx 1.0 2.0 4.0 586 308 A 9 TYR HE% A 32 SER HBy 1.0 2.0 4.0 587 309 A 32 SER H A 32 SER HBx 1.0 2.0 4.0 588 309 A 32 SER H A 32 SER HBy 1.0 2.0 4.0 589 310 A 55 LYS H A 32 SER HBx 1.0 2.0 4.0 590 310 A 55 LYS H A 32 SER HBy 1.0 2.0 4.0 591 311 A 57 ILE HB A 32 SER HBx 1.0 2.0 4.0 592 311 A 57 ILE HB A 32 SER HBy 1.0 2.0 4.0 593 312 A 32 SER HBx A 57 ILE HG1x 1.0 2.0 4.0 594 312 A 32 SER HBy A 57 ILE HG1x 1.0 2.0 4.0 595 312 A 57 ILE HG1y A 32 SER HBx 1.0 2.0 4.0 596 312 A 57 ILE HG1y A 32 SER HBy 1.0 2.0 4.0 597 313 A 33 ASP HA A 33 ASP HBx 1.0 2.0 4.0 598 313 A 33 ASP HA A 33 ASP HBy 1.0 2.0 4.0 599 314 A 33 ASP HA A 33 ASP H 1.0 2.0 4.0 600 315 A 33 ASP HA A 34 MET HBx 1.0 2.0 4.0 601 315 A 33 ASP HA A 34 MET HBy 1.0 2.0 4.0 602 316 A 32 SER H A 33 ASP H 1.0 2.0 4.0 603 317 A 34 MET HA A 35 SER H 1.0 2.0 4.0 604 318 A 34 MET H A 34 MET HBx 1.0 2.0 4.0 605 318 A 34 MET H A 34 MET HBy 1.0 2.0 4.0 606 319 A 35 SER H A 34 MET HBx 1.0 2.0 4.0 607 319 A 34 MET HBy A 35 SER H 1.0 2.0 4.0 608 320 A 35 SER HA A 35 SER HBx 1.0 2.0 4.0 609 320 A 35 SER HA A 35 SER HBy 1.0 2.0 4.0 610 321 A 35 SER H A 35 SER HBx 1.0 2.0 4.0 611 321 A 35 SER HBy A 35 SER H 1.0 2.0 4.0 612 322 A 36 THR H A 35 SER HBx 1.0 2.0 4.0 613 322 A 36 THR H A 35 SER HBy 1.0 2.0 4.0 614 323 A 37 TYR HE% A 35 SER HBx 1.0 2.0 4.0 615 323 A 35 SER HBy A 37 TYR HE% 1.0 2.0 4.0 616 324 A 36 THR H A 35 SER HBx 1.0 2.0 4.0 617 324 A 36 THR H A 35 SER HBy 1.0 2.0 4.0 618 325 A 31 GLY H A 35 SER H 1.0 2.0 4.0 619 326 A 36 THR H A 36 THR HA 1.0 2.0 4.0 620 327 A 37 TYR HA A 37 TYR H 1.0 2.0 4.0 621 328 A 29 VAL HGx% A 37 TYR HBx 1.0 2.0 4.0 622 328 A 29 VAL HGy% A 37 TYR HBx 1.0 2.0 4.0 623 328 A 37 TYR HBy A 29 VAL HGx% 1.0 2.0 4.0 624 328 A 37 TYR HBy A 29 VAL HGy% 1.0 2.0 4.0 625 329 A 38 ALA H A 37 TYR HBx 1.0 2.0 4.0 626 329 A 37 TYR HBy A 38 ALA H 1.0 2.0 4.0 627 330 A 37 TYR HBy A 39 ASN HD2y 1.0 2.0 4.0 628 330 A 37 TYR HBx A 39 ASN HD2y 1.0 2.0 4.0 629 330 A 39 ASN HD2x A 37 TYR HBx 1.0 2.0 4.0 630 330 A 37 TYR HBy A 39 ASN HD2x 1.0 2.0 4.0 631 331 A 37 TYR H A 37 TYR HBx 1.0 2.0 4.0 632 331 A 37 TYR HBy A 37 TYR H 1.0 2.0 4.0 633 332 A 38 ALA H A 37 TYR HBx 1.0 2.0 4.0 634 332 A 37 TYR HBy A 38 ALA H 1.0 2.0 4.0 635 333 A 37 TYR HBy A 39 ASN HD2y 1.0 2.0 4.0 636 333 A 37 TYR HBx A 39 ASN HD2y 1.0 2.0 4.0 637 333 A 39 ASN HD2x A 37 TYR HBx 1.0 2.0 4.0 638 333 A 37 TYR HBy A 39 ASN HD2x 1.0 2.0 4.0 639 334 A 31 GLY H A 37 TYR HD% 1.0 2.0 4.0 640 335 A 37 TYR HD% A 38 ALA H 1.0 2.0 4.0 641 336 A 31 GLY H A 37 TYR HE% 1.0 2.0 4.0 642 337 A 38 ALA HA A 39 ASN H 1.0 2.0 4.0 643 338 A 38 ALA HB% A 39 ASN HD2y 1.0 2.0 4.0 644 338 A 38 ALA HB% A 39 ASN HD2x 1.0 2.0 4.0 645 339 A 38 ALA HB% A 39 ASN H 1.0 2.0 4.0 646 340 A 38 ALA HB% A 39 ASN HD2y 1.0 2.0 4.0 647 340 A 38 ALA HB% A 39 ASN HD2x 1.0 2.0 4.0 648 341 A 43 LEU H A 39 ASN HA 1.0 2.0 4.0 649 342 A 38 ALA H A 39 ASN HD2y 1.0 2.0 4.0 650 342 A 38 ALA H A 39 ASN HD2x 1.0 2.0 4.0 651 343 A 40 GLU HA A 40 GLU HB2 1.0 2.0 4.0 652 343 A 40 GLU HA A 40 GLU HB3 1.0 2.0 4.0 653 344 A 40 GLU H A 40 GLU HA 1.0 2.0 4.0 654 345 A 40 GLU H A 40 GLU HB2 1.0 2.0 4.0 655 345 A 40 GLU H A 40 GLU HB3 1.0 2.0 4.0 656 346 A 40 GLU H A 40 GLU HG2 1.0 2.0 4.0 657 346 A 40 GLU H A 40 GLU HG3 1.0 2.0 4.0 658 347 A 41 CYS H A 41 CYS HA 1.0 2.0 4.0 659 348 A 41 CYS HA A 45 MET HGx 1.0 2.0 4.0 660 348 A 41 CYS HA A 45 MET HGy 1.0 2.0 4.0 661 349 A 41 CYS H A 41 CYS HB2 1.0 2.0 4.0 662 349 A 41 CYS HB3 A 41 CYS H 1.0 2.0 4.0 663 350 A 42 THR HA A 39 ASN HD2y 1.0 2.0 4.0 664 350 A 42 THR HA A 39 ASN HD2x 1.0 2.0 4.0 665 351 A 42 THR HA A 42 THR H 1.0 2.0 4.0 666 352 A 43 LEU H A 42 THR HA 1.0 2.0 4.0 667 353 A 37 TYR HD% A 43 LEU HA 1.0 2.0 4.0 668 354 A 37 TYR HE% A 43 LEU HA 1.0 2.0 4.0 669 355 A 43 LEU HA A 43 LEU HBx 1.0 2.0 4.0 670 355 A 43 LEU HBy A 43 LEU HA 1.0 2.0 4.0 671 356 A 43 LEU HA A 43 LEU HDx% 1.0 2.0 4.0 672 356 A 43 LEU HDy% A 43 LEU HA 1.0 2.0 4.0 673 357 A 43 LEU H A 43 LEU HA 1.0 2.0 4.0 674 358 A 43 LEU HA A 44 CYS H 1.0 2.0 4.0 675 359 A 43 LEU HA A 46 LYS H 1.0 2.0 4.0 676 360 A 44 CYS H A 43 LEU HBx 1.0 2.0 4.0 677 360 A 43 LEU HBy A 44 CYS H 1.0 2.0 4.0 678 361 A 44 CYS H A 43 LEU HBx 1.0 2.0 4.0 679 361 A 43 LEU HBy A 44 CYS H 1.0 2.0 4.0 680 362 A 44 CYS H A 43 LEU HDx% 1.0 2.0 4.0 681 362 A 43 LEU HDy% A 44 CYS H 1.0 2.0 4.0 682 363 A 37 TYR HD% A 43 LEU HDx% 1.0 2.0 4.0 683 363 A 43 LEU HDy% A 37 TYR HD% 1.0 2.0 4.0 684 364 A 37 TYR HE% A 43 LEU HDx% 1.0 2.0 4.0 685 364 A 43 LEU HDy% A 37 TYR HE% 1.0 2.0 4.0 686 365 A 43 LEU HG A 44 CYS H 1.0 2.0 4.0 687 366 A 43 LEU HG A 37 TYR HD% 1.0 2.0 4.0 688 367 A 43 LEU H A 45 MET H 1.0 2.0 4.0 689 368 A 45 MET H A 44 CYS HBx 1.0 2.0 4.0 690 368 A 44 CYS HBy A 45 MET H 1.0 2.0 4.0 691 369 A 44 CYS H A 44 CYS HBx 1.0 2.0 4.0 692 369 A 44 CYS HBy A 44 CYS H 1.0 2.0 4.0 693 370 A 45 MET HA A 45 MET HGx 1.0 2.0 4.0 694 370 A 45 MET HGy A 45 MET HA 1.0 2.0 4.0 695 371 A 45 MET HA A 45 MET H 1.0 2.0 4.0 696 372 A 45 MET HA A 48 ARG H 1.0 2.0 4.0 697 373 A 45 MET H A 45 MET HB2 1.0 2.0 4.0 698 373 A 45 MET HB3 A 45 MET H 1.0 2.0 4.0 699 374 A 45 MET HB2 A 45 MET HGx 1.0 2.0 4.0 700 374 A 45 MET HGy A 45 MET HB2 1.0 2.0 4.0 701 374 A 45 MET HB3 A 45 MET HGy 1.0 2.0 4.0 702 374 A 45 MET HB3 A 45 MET HGx 1.0 2.0 4.0 703 375 A 45 MET H A 45 MET HGx 1.0 2.0 4.0 704 375 A 45 MET HGy A 45 MET H 1.0 2.0 4.0 705 376 A 45 MET H A 45 MET HGx 1.0 2.0 4.0 706 376 A 45 MET HGy A 45 MET H 1.0 2.0 4.0 707 377 A 46 LYS HA A 46 LYS HG2 1.0 2.0 4.0 708 377 A 46 LYS HG3 A 46 LYS HA 1.0 2.0 4.0 709 378 A 37 TYR HE% A 46 LYS HB2 1.0 2.0 4.0 710 378 A 37 TYR HE% A 46 LYS HB3 1.0 2.0 4.0 711 379 A 43 LEU HDy% A 46 LYS HB2 1.0 2.0 4.0 712 379 A 43 LEU HDx% A 46 LYS HB2 1.0 2.0 4.0 713 379 A 46 LYS HB3 A 43 LEU HDx% 1.0 2.0 4.0 714 379 A 43 LEU HDy% A 46 LYS HB3 1.0 2.0 4.0 715 380 A 46 LYS H A 46 LYS HB2 1.0 2.0 4.0 716 380 A 46 LYS HB3 A 46 LYS H 1.0 2.0 4.0 717 381 A 46 LYS HB3 A 47 ILE HG1x 1.0 2.0 4.0 718 381 A 46 LYS HB2 A 47 ILE HG1x 1.0 2.0 4.0 719 381 A 47 ILE HG1y A 46 LYS HB2 1.0 2.0 4.0 720 381 A 46 LYS HB3 A 47 ILE HG1y 1.0 2.0 4.0 721 382 A 54 ILE HB A 46 LYS HB2 1.0 2.0 4.0 722 382 A 54 ILE HB A 46 LYS HB3 1.0 2.0 4.0 723 383 A 46 LYS HB3 A 54 ILE HG1x 1.0 2.0 4.0 724 383 A 46 LYS HB2 A 54 ILE HG1x 1.0 2.0 4.0 725 383 A 54 ILE HG1y A 46 LYS HB2 1.0 2.0 4.0 726 383 A 54 ILE HG1y A 46 LYS HB3 1.0 2.0 4.0 727 384 A 37 TYR HD% A 46 LYS HG2 1.0 2.0 4.0 728 384 A 46 LYS HG3 A 37 TYR HD% 1.0 2.0 4.0 729 385 A 37 TYR HE% A 46 LYS HG2 1.0 2.0 4.0 730 385 A 46 LYS HG3 A 37 TYR HE% 1.0 2.0 4.0 731 386 A 46 LYS H A 45 MET H 1.0 2.0 4.0 732 387 A 47 ILE H A 46 LYS H 1.0 2.0 4.0 733 388 A 47 ILE HA A 43 LEU HBx 1.0 2.0 4.0 734 388 A 43 LEU HBy A 47 ILE HA 1.0 2.0 4.0 735 389 A 47 ILE HA A 43 LEU HDx% 1.0 2.0 4.0 736 389 A 43 LEU HDy% A 47 ILE HA 1.0 2.0 4.0 737 390 A 47 ILE HA A 47 ILE HG1x 1.0 2.0 4.0 738 390 A 47 ILE HA A 47 ILE HG1y 1.0 2.0 4.0 739 391 A 47 ILE H A 47 ILE HA 1.0 2.0 4.0 740 392 A 47 ILE HA A 48 ARG H 1.0 2.0 4.0 741 393 A 47 ILE HA A 50 GLY H 1.0 2.0 4.0 742 394 A 47 ILE HA A 52 HIS H 1.0 2.0 4.0 743 395 A 47 ILE HA A 54 ILE HG1x 1.0 2.0 4.0 744 395 A 54 ILE HG1y A 47 ILE HA 1.0 2.0 4.0 745 396 A 47 ILE HB A 47 ILE HG1x 1.0 2.0 4.0 746 396 A 47 ILE HB A 47 ILE HG1y 1.0 2.0 4.0 747 397 A 47 ILE H A 47 ILE HG1x 1.0 2.0 4.0 748 397 A 47 ILE H A 47 ILE HG1y 1.0 2.0 4.0 749 398 A 47 ILE H A 47 ILE HG1x 1.0 2.0 4.0 750 398 A 47 ILE H A 47 ILE HG1y 1.0 2.0 4.0 751 399 A 48 ARG HA A 48 ARG HB2 1.0 2.0 4.0 752 399 A 48 ARG HB3 A 48 ARG HA 1.0 2.0 4.0 753 400 A 48 ARG HA A 48 ARG HG2 1.0 2.0 4.0 754 400 A 48 ARG HA A 48 ARG HG3 1.0 2.0 4.0 755 401 A 48 ARG H A 48 ARG HA 1.0 2.0 4.0 756 402 A 49 GLU H A 48 ARG HA 1.0 2.0 4.0 757 403 A 48 ARG H A 48 ARG HB2 1.0 2.0 4.0 758 403 A 48 ARG H A 48 ARG HB3 1.0 2.0 4.0 759 404 A 48 ARG H A 48 ARG HG2 1.0 2.0 4.0 760 404 A 48 ARG H A 48 ARG HG3 1.0 2.0 4.0 761 405 A 47 ILE H A 48 ARG H 1.0 2.0 4.0 762 406 A 48 ARG H A 49 GLU H 1.0 2.0 4.0 763 407 A 49 GLU HA A 49 GLU HGx 1.0 2.0 4.0 764 407 A 49 GLU HGy A 49 GLU HA 1.0 2.0 4.0 765 408 A 51 GLY H A 49 GLU HA 1.0 2.0 4.0 766 409 A 50 GLY H A 49 GLU HB2 1.0 2.0 4.0 767 409 A 49 GLU HB3 A 50 GLY H 1.0 2.0 4.0 768 410 A 49 GLU H A 49 GLU HGx 1.0 2.0 4.0 769 410 A 49 GLU HGy A 49 GLU H 1.0 2.0 4.0 770 411 A 49 GLU HB2 A 49 GLU HGx 1.0 2.0 4.0 771 411 A 49 GLU HB3 A 49 GLU HGx 1.0 2.0 4.0 772 411 A 49 GLU HGy A 49 GLU HB2 1.0 2.0 4.0 773 411 A 49 GLU HGy A 49 GLU HB3 1.0 2.0 4.0 774 412 A 50 GLY H A 51 GLY H 1.0 2.0 4.0 775 413 A 53 ASN H A 52 HIS HBx 1.0 2.0 4.0 776 413 A 52 HIS HBy A 53 ASN H 1.0 2.0 4.0 777 414 A 52 HIS HBy A 54 ILE HG1x 1.0 2.0 4.0 778 414 A 52 HIS HBx A 54 ILE HG1x 1.0 2.0 4.0 779 414 A 54 ILE HG1y A 52 HIS HBx 1.0 2.0 4.0 780 414 A 54 ILE HG1y A 52 HIS HBy 1.0 2.0 4.0 781 415 A 53 ASN H A 52 HIS HBx 1.0 2.0 4.0 782 415 A 52 HIS HBy A 53 ASN H 1.0 2.0 4.0 783 416 A 52 HIS HBy A 54 ILE HG1x 1.0 2.0 4.0 784 416 A 52 HIS HBx A 54 ILE HG1x 1.0 2.0 4.0 785 416 A 54 ILE HG1y A 52 HIS HBx 1.0 2.0 4.0 786 416 A 54 ILE HG1y A 52 HIS HBy 1.0 2.0 4.0 787 417 A 52 HIS H A 53 ASN H 1.0 2.0 4.0 788 418 A 53 ASN HA A 47 ILE HG1x 1.0 2.0 4.0 789 418 A 47 ILE HG1y A 53 ASN HA 1.0 2.0 4.0 790 419 A 52 HIS H A 53 ASN HA 1.0 2.0 4.0 791 420 A 53 ASN H A 53 ASN HA 1.0 2.0 4.0 792 421 A 54 ILE H A 53 ASN HB2 1.0 2.0 4.0 793 421 A 54 ILE H A 53 ASN HB3 1.0 2.0 4.0 794 422 A 54 ILE HA A 43 LEU HDx% 1.0 2.0 4.0 795 422 A 43 LEU HDy% A 54 ILE HA 1.0 2.0 4.0 796 423 A 54 ILE HA A 54 ILE HG1x 1.0 2.0 4.0 797 423 A 54 ILE HG1y A 54 ILE HA 1.0 2.0 4.0 798 424 A 54 ILE HA A 54 ILE HG1x 1.0 2.0 4.0 799 424 A 54 ILE HG1y A 54 ILE HA 1.0 2.0 4.0 800 425 A 54 ILE HB A 47 ILE HG1x 1.0 2.0 4.0 801 425 A 54 ILE HB A 47 ILE HG1y 1.0 2.0 4.0 802 426 A 54 ILE HB A 54 ILE H 1.0 2.0 4.0 803 427 A 33 ASP H A 54 ILE HG1x 1.0 2.0 4.0 804 427 A 54 ILE HG1y A 33 ASP H 1.0 2.0 4.0 805 428 A 37 TYR HE% A 54 ILE HG1x 1.0 2.0 4.0 806 428 A 54 ILE HG1y A 37 TYR HE% 1.0 2.0 4.0 807 429 A 43 LEU HDy% A 54 ILE HG1x 1.0 2.0 4.0 808 429 A 43 LEU HDx% A 54 ILE HG1x 1.0 2.0 4.0 809 429 A 54 ILE HG1y A 43 LEU HDx% 1.0 2.0 4.0 810 429 A 43 LEU HDy% A 54 ILE HG1y 1.0 2.0 4.0 811 430 A 54 ILE H A 53 ASN H 1.0 2.0 4.0 812 431 A 55 LYS HA A 55 LYS HGx 1.0 2.0 4.0 813 431 A 55 LYS HGy A 55 LYS HA 1.0 2.0 4.0 814 432 A 55 LYS HA A 56 ILE H 1.0 2.0 4.0 815 433 A 9 TYR HD% A 55 LYS HBx 1.0 2.0 4.0 816 433 A 9 TYR HD% A 55 LYS HBy 1.0 2.0 4.0 817 434 A 55 LYS H A 55 LYS HBx 1.0 2.0 4.0 818 434 A 55 LYS H A 55 LYS HBy 1.0 2.0 4.0 819 435 A 55 LYS H A 55 LYS HBx 1.0 2.0 4.0 820 435 A 55 LYS H A 55 LYS HBy 1.0 2.0 4.0 821 436 A 55 LYS H A 32 SER H 1.0 2.0 4.0 822 437 A 56 ILE HA A 32 SER H 1.0 2.0 4.0 823 438 A 56 ILE HA A 56 ILE H 1.0 2.0 4.0 824 439 A 58 ARG H A 56 ILE HA 1.0 2.0 4.0 825 440 A 9 TYR HD% A 57 ILE HA 1.0 2.0 4.0 826 441 A 9 TYR HE% A 57 ILE HA 1.0 2.0 4.0 827 442 A 57 ILE HA A 57 ILE HG1x 1.0 2.0 4.0 828 442 A 57 ILE HG1y A 57 ILE HA 1.0 2.0 4.0 829 443 A 57 ILE H A 57 ILE HA 1.0 2.0 4.0 830 444 A 58 ARG H A 57 ILE HA 1.0 2.0 4.0 831 445 A 57 ILE HB A 57 ILE HG1x 1.0 2.0 4.0 832 445 A 57 ILE HB A 57 ILE HG1y 1.0 2.0 4.0 833 446 A 57 ILE H A 57 ILE HB 1.0 2.0 4.0 834 447 A 57 ILE H A 57 ILE HG1x 1.0 2.0 4.0 835 447 A 57 ILE H A 57 ILE HG1y 1.0 2.0 4.0 836 448 A 58 ARG HA A 30 CYS HBx 1.0 2.0 4.0 837 448 A 30 CYS HBy A 58 ARG HA 1.0 2.0 4.0 838 449 A 58 ARG HA A 58 ARG HB2 1.0 2.0 4.0 839 450 A 58 ARG HA A 58 ARG HGx 1.0 2.0 4.0 840 450 A 58 ARG HGy A 58 ARG HA 1.0 2.0 4.0 841 451 A 58 ARG H A 58 ARG HA 1.0 2.0 4.0 842 452 A 57 ILE HG1x A 58 ARG HB2 1.0 2.0 4.0 843 452 A 57 ILE HG1y A 58 ARG HB2 1.0 2.0 4.0 844 453 A 58 ARG HGy A 58 ARG HB2 1.0 2.0 4.0 845 453 A 58 ARG HB2 A 58 ARG HGx 1.0 2.0 4.0 846 454 A 58 ARG HGy A 58 ARG HB2 1.0 2.0 4.0 847 454 A 58 ARG HB2 A 58 ARG HGx 1.0 2.0 4.0 848 455 A 59 ASN H A 58 ARG HB2 1.0 2.0 4.0 849 456 A 58 ARG H A 58 ARG HGx 1.0 2.0 4.0 850 456 A 58 ARG H A 58 ARG HGy 1.0 2.0 4.0 851 457 A 58 ARG H A 58 ARG HGx 1.0 2.0 4.0 852 457 A 58 ARG H A 58 ARG HGy 1.0 2.0 4.0 853 458 A 59 ASN H A 58 ARG HGx 1.0 2.0 4.0 854 458 A 58 ARG HGy A 59 ASN H 1.0 2.0 4.0 855 459 A 58 ARG H A 30 CYS H 1.0 2.0 4.0 856 460 A 59 ASN HA A 10 ARG HH11 1.0 2.0 4.0 857 461 A 29 VAL HB A 59 ASN HA 1.0 2.0 4.0 858 462 A 59 ASN HA A 29 VAL HGx% 1.0 2.0 4.0 859 462 A 29 VAL HGy% A 59 ASN HA 1.0 2.0 4.0 860 463 A 30 CYS H A 59 ASN HA 1.0 2.0 4.0 861 464 A 59 ASN HA A 59 ASN HBx 1.0 2.0 4.0 862 464 A 59 ASN HA A 59 ASN HBy 1.0 2.0 4.0 863 465 A 59 ASN H A 59 ASN HA 1.0 2.0 4.0 864 466 A 58 ARG HGx A 59 ASN HBx 1.0 2.0 4.0 865 466 A 58 ARG HGy A 59 ASN HBx 1.0 2.0 4.0 866 466 A 59 ASN HBy A 58 ARG HGx 1.0 2.0 4.0 867 466 A 58 ARG HGy A 59 ASN HBy 1.0 2.0 4.0 868 467 A 59 ASN HBx A 59 ASN HD2y 1.0 2.0 4.0 869 467 A 59 ASN HBy A 59 ASN HD2y 1.0 2.0 4.0 870 467 A 59 ASN HD2x A 59 ASN HBx 1.0 2.0 4.0 871 467 A 59 ASN HBy A 59 ASN HD2x 1.0 2.0 4.0 872 468 A 59 ASN HBx A 59 ASN HD2y 1.0 2.0 4.0 873 468 A 59 ASN HBy A 59 ASN HD2y 1.0 2.0 4.0 874 468 A 59 ASN HD2x A 59 ASN HBx 1.0 2.0 4.0 875 468 A 59 ASN HBy A 59 ASN HD2x 1.0 2.0 4.0 876 469 A 60 GLY H A 59 ASN HBx 1.0 2.0 4.0 877 469 A 60 GLY H A 59 ASN HBy 1.0 2.0 4.0 878 470 A 59 ASN HBx A 59 ASN HD2y 1.0 2.0 4.0 879 470 A 59 ASN HBy A 59 ASN HD2y 1.0 2.0 4.0 880 470 A 59 ASN HD2x A 59 ASN HBx 1.0 2.0 4.0 881 470 A 59 ASN HBy A 59 ASN HD2x 1.0 2.0 4.0 882 471 A 59 ASN H A 59 ASN HBx 1.0 2.0 4.0 883 471 A 59 ASN H A 59 ASN HBy 1.0 2.0 4.0 884 472 A 60 GLY H A 59 ASN HBx 1.0 2.0 4.0 885 472 A 60 GLY H A 59 ASN HBy 1.0 2.0 4.0 886 473 A 60 GLY H A 60 GLY HAx 1.0 2.0 4.0 887 473 A 60 GLY H A 60 GLY HAy 1.0 2.0 4.0 888 474 A 30 CYS H A 60 GLY H 1.0 2.0 4.0 889 475 A 60 GLY H A 59 ASN H 1.0 2.0 4.0 890 476 A 62 CYS H A 62 CYS HA 1.0 2.0 4.0 891 477 A 62 CYS H A 62 CYS HBx 1.0 2.0 4.0 892 477 A 62 CYS HBy A 62 CYS H 1.0 2.0 4.0 893 478 A 4 GLY H A 3 PHE HBx 1.0 2.5 4.5 894 478 A 3 PHE HBy A 4 GLY H 1.0 2.5 4.5 895 479 A 5 LEU HA A 5 LEU HB2 1.0 2.5 4.5 896 479 A 5 LEU HB3 A 5 LEU HA 1.0 2.5 4.5 897 480 A 9 TYR HA A 9 TYR HBx 1.0 2.5 4.5 898 480 A 9 TYR HBy A 9 TYR HA 1.0 2.5 4.5 899 481 A 8 LYS H A 9 TYR H 1.0 2.5 4.5 900 482 A 9 TYR H A 10 ARG H 1.0 2.5 4.5 901 483 A 10 ARG H A 10 ARG HG2 1.0 2.5 4.5 902 483 A 10 ARG HG3 A 10 ARG H 1.0 2.5 4.5 903 484 A 13 ASN H A 13 ASN HBx 1.0 2.5 4.5 904 484 A 13 ASN HBy A 13 ASN H 1.0 2.5 4.5 905 485 A 16 GLN HBx A 16 GLN HGx 1.0 2.5 4.5 906 485 A 16 GLN HBy A 16 GLN HGx 1.0 2.5 4.5 907 485 A 16 GLN HGy A 16 GLN HBx 1.0 2.5 4.5 908 485 A 16 GLN HBy A 16 GLN HGy 1.0 2.5 4.5 909 486 A 16 GLN HE2y A 16 GLN HGx 1.0 2.5 4.5 910 486 A 16 GLN HGy A 16 GLN HE2y 1.0 2.5 4.5 911 486 A 16 GLN HE2x A 16 GLN HGy 1.0 2.5 4.5 912 486 A 16 GLN HE2x A 16 GLN HGx 1.0 2.5 4.5 913 487 A 19 LEU HA A 19 LEU HB2 1.0 2.5 4.5 914 487 A 19 LEU HA A 19 LEU HB3 1.0 2.5 4.5 915 488 A 21 GLY H A 20 PRO HB2 1.0 2.5 4.5 916 488 A 20 PRO HB3 A 21 GLY H 1.0 2.5 4.5 917 489 A 22 CYS HA A 22 CYS HBx 1.0 2.5 4.5 918 489 A 22 CYS HBy A 22 CYS HA 1.0 2.5 4.5 919 490 A 27 ASN HA A 29 VAL HGx% 1.0 2.5 4.5 920 490 A 27 ASN HA A 29 VAL HGy% 1.0 2.5 4.5 921 491 A 26 PHE HD% A 28 PRO HGx 1.0 2.5 4.5 922 491 A 26 PHE HD% A 28 PRO HGy 1.0 2.5 4.5 923 492 A 30 CYS H A 30 CYS HBx 1.0 2.5 4.5 924 492 A 30 CYS HBy A 30 CYS H 1.0 2.5 4.5 925 493 A 37 TYR HD% A 35 SER HBx 1.0 2.5 4.5 926 493 A 35 SER HBy A 37 TYR HD% 1.0 2.5 4.5 927 494 A 37 TYR HD% A 35 SER HBx 1.0 2.5 4.5 928 494 A 35 SER HBy A 37 TYR HD% 1.0 2.5 4.5 929 495 A 38 ALA HB% A 38 ALA HA 1.0 2.5 4.5 930 496 A 40 GLU HA A 44 CYS H 1.0 2.5 4.5 931 497 A 45 MET HA A 46 LYS H 1.0 2.5 4.5 932 498 A 37 TYR HD% A 46 LYS HB2 1.0 2.5 4.5 933 498 A 37 TYR HD% A 46 LYS HB3 1.0 2.5 4.5 934 499 A 47 ILE H A 46 LYS HG2 1.0 2.5 4.5 935 499 A 47 ILE H A 46 LYS HG3 1.0 2.5 4.5 936 500 A 47 ILE HB A 48 ARG H 1.0 2.5 4.5 937 501 A 54 ILE H A 54 ILE HG1x 1.0 2.5 4.5 938 501 A 54 ILE HG1y A 54 ILE H 1.0 2.5 4.5 939 502 A 62 CYS HA A 62 CYS HBx 1.0 2.5 4.5 940 502 A 62 CYS HBy A 62 CYS HA 1.0 2.5 4.5 941 503 A 62 CYS HA A 62 CYS HBx 1.0 2.5 4.5 942 503 A 62 CYS HBy A 62 CYS HA 1.0 2.5 4.5 943 504 A 6 PHE H A 5 LEU HB2 1.0 3.0 6.0 944 504 A 5 LEU HB3 A 6 PHE H 1.0 3.0 6.0 945 505 A 8 LYS HA A 8 LYS HGx 1.0 3.0 6.0 946 505 A 8 LYS HA A 8 LYS HGy 1.0 3.0 6.0 947 506 A 13 ASN HBy A 13 ASN HD2y 1.0 3.0 6.0 948 506 A 13 ASN HBx A 13 ASN HD2y 1.0 3.0 6.0 949 506 A 13 ASN HD2x A 13 ASN HBx 1.0 3.0 6.0 950 506 A 13 ASN HBy A 13 ASN HD2x 1.0 3.0 6.0 951 507 A 26 PHE HE% A 26 PHE HB2 1.0 3.0 6.0 952 507 A 26 PHE HB3 A 26 PHE HE% 1.0 3.0 6.0 953 508 A 27 ASN HA A 27 ASN HBx 1.0 3.0 6.0 954 508 A 27 ASN HA A 27 ASN HBy 1.0 3.0 6.0 955 509 A 38 ALA HB% A 26 PHE HE% 1.0 3.0 6.0 956 510 A 43 LEU H A 40 GLU HA 1.0 3.0 6.0 957 511 A 46 LYS HA A 48 ARG H 1.0 3.0 6.0 958 512 A 49 GLU H A 49 GLU HB2 1.0 3.0 6.0 959 512 A 49 GLU HB3 A 49 GLU H 1.0 3.0 6.0 960 513 A 53 ASN HB2 A 53 ASN HD2y 1.0 3.0 6.0 961 513 A 53 ASN HB3 A 53 ASN HD2y 1.0 3.0 6.0 962 513 A 53 ASN HD2x A 53 ASN HB2 1.0 3.0 6.0 963 513 A 53 ASN HB3 A 53 ASN HD2x 1.0 3.0 6.0 964 514 A 57 ILE H A 57 ILE HG1x 1.0 3.0 6.0 965 514 A 57 ILE H A 57 ILE HG1y 1.0 3.0 6.0 966 515 A 2 GLN HA A 2 GLN HB2 1.0 2.0 4.0 967 515 A 2 GLN HA A 2 GLN HB3 1.0 2.0 4.0 968 516 A 2 GLN H A 2 GLN HB2 1.0 2.0 4.0 969 516 A 2 GLN H A 2 GLN HB3 1.0 2.0 4.0 970 517 A 39 ASN H A 39 ASN HA 1.0 2.0 4.0 971 518 A 46 LYS HA A 46 LYS HB2 1.0 2.0 4.0 972 518 A 46 LYS HB3 A 46 LYS HA 1.0 2.0 4.0 973 519 A 49 GLU HA A 49 GLU HB2 1.0 2.0 4.0 974 519 A 49 GLU HB3 A 49 GLU HA 1.0 2.0 4.0 stop_ save_ save_CNS/XPLOR_distance_constraints_8 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_8 _nef_distance_restraint_list.restraint_origin undefined _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 14 CYS SG A 44 CYS SG 1.0 1.5 2.5 2 2 A 22 CYS SG A 41 CYS SG 1.0 1.5 2.5 3 3 A 30 CYS SG A 62 CYS SG 1.0 1.5 2.5 stop_ save_ save_CNS/XPLOR_distance_constraints_6 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_6 _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 2 GLN HB3 A 10 ARG HG2 1.0 3.0 6.0 2 1 A 10 ARG HG3 A 2 GLN HB2 1.0 3.0 6.0 3 1 A 10 ARG HG3 A 2 GLN HB3 1.0 3.0 6.0 4 1 A 2 GLN HB2 A 10 ARG HG2 1.0 3.0 6.0 5 2 A 3 PHE HD% A 3 PHE HBx 1.0 2.0 4.0 6 2 A 3 PHE HD% A 3 PHE HBy 1.0 2.0 4.0 7 3 A 3 PHE H A 3 PHE HBx 1.0 3.0 6.0 8 3 A 3 PHE HBy A 3 PHE H 1.0 3.0 6.0 9 4 A 8 LYS HA A 55 LYS HGx 1.0 3.0 6.0 10 4 A 55 LYS HGy A 8 LYS HA 1.0 3.0 6.0 11 5 A 10 ARG HB2 A 13 ASN HD2y 1.0 3.0 6.0 12 5 A 10 ARG HB3 A 13 ASN HD2y 1.0 3.0 6.0 13 5 A 13 ASN HD2x A 10 ARG HB2 1.0 3.0 6.0 14 5 A 10 ARG HB3 A 13 ASN HD2x 1.0 3.0 6.0 15 6 A 11 THR HA A 55 LYS HGx 1.0 3.0 6.0 16 6 A 55 LYS HGy A 11 THR HA 1.0 3.0 6.0 17 7 A 13 ASN HA A 13 ASN HD2y 1.0 3.0 6.0 18 7 A 13 ASN HA A 13 ASN HD2x 1.0 3.0 6.0 19 8 A 15 SER H A 14 CYS HBx 1.0 3.0 6.0 20 8 A 14 CYS HBy A 15 SER H 1.0 3.0 6.0 21 9 A 15 SER H A 14 CYS HBx 1.0 3.0 6.0 22 9 A 14 CYS HBy A 15 SER H 1.0 3.0 6.0 23 10 A 16 GLN HBy A 16 GLN HE2y 1.0 3.0 6.0 24 10 A 16 GLN HBx A 16 GLN HE2y 1.0 3.0 6.0 25 10 A 16 GLN HE2x A 16 GLN HBx 1.0 3.0 6.0 26 10 A 16 GLN HBy A 16 GLN HE2x 1.0 3.0 6.0 27 11 A 16 GLN HBx A 16 GLN HE2y 1.0 3.0 6.0 28 11 A 16 GLN HBy A 16 GLN HE2y 1.0 3.0 6.0 29 11 A 16 GLN HE2x A 16 GLN HBx 1.0 3.0 6.0 30 11 A 16 GLN HBy A 16 GLN HE2x 1.0 3.0 6.0 31 12 A 17 TYR HE% A 17 TYR HBx 1.0 3.0 6.0 32 12 A 17 TYR HBy A 17 TYR HE% 1.0 3.0 6.0 33 13 A 18 ARG H A 18 ARG HGx 1.0 3.0 6.0 34 13 A 18 ARG H A 18 ARG HGy 1.0 3.0 6.0 35 14 A 26 PHE HE% A 26 PHE HB2 1.0 3.0 6.0 36 14 A 26 PHE HB3 A 26 PHE HE% 1.0 3.0 6.0 37 15 A 27 ASN HA A 27 ASN HBx 1.0 3.0 6.0 38 15 A 27 ASN HA A 27 ASN HBy 1.0 3.0 6.0 39 16 A 28 PRO HBy A 28 PRO HDx 1.0 3.0 6.0 40 16 A 28 PRO HBx A 28 PRO HDx 1.0 3.0 6.0 41 16 A 28 PRO HDy A 28 PRO HBy 1.0 3.0 6.0 42 16 A 28 PRO HBx A 28 PRO HDy 1.0 3.0 6.0 43 17 A 30 CYS HBy A 62 CYS HBx 1.0 3.0 6.0 44 17 A 30 CYS HBx A 62 CYS HBx 1.0 3.0 6.0 45 17 A 62 CYS HBy A 30 CYS HBx 1.0 3.0 6.0 46 17 A 30 CYS HBy A 62 CYS HBy 1.0 3.0 6.0 47 18 A 31 GLY HAy A 43 LEU HDx% 1.0 3.0 6.0 48 18 A 31 GLY HAx A 43 LEU HDx% 1.0 3.0 6.0 49 18 A 43 LEU HDy% A 31 GLY HAx 1.0 3.0 6.0 50 18 A 43 LEU HDy% A 31 GLY HAy 1.0 3.0 6.0 51 19 A 31 GLY HAy A 43 LEU HDx% 1.0 3.0 6.0 52 19 A 31 GLY HAx A 43 LEU HDx% 1.0 3.0 6.0 53 19 A 43 LEU HDy% A 31 GLY HAx 1.0 3.0 6.0 54 19 A 43 LEU HDy% A 31 GLY HAy 1.0 3.0 6.0 55 20 A 38 ALA HB% A 26 PHE HE% 1.0 3.0 6.0 56 21 A 42 THR H A 39 ASN HD2y 1.0 3.0 6.0 57 21 A 42 THR H A 39 ASN HD2x 1.0 3.0 6.0 58 22 A 40 GLU HA A 42 THR H 1.0 3.0 6.0 59 23 A 41 CYS HA A 42 THR H 1.0 3.0 6.0 60 24 A 43 LEU HBx A 47 ILE HG1x 1.0 3.0 6.0 61 24 A 43 LEU HBy A 47 ILE HG1x 1.0 3.0 6.0 62 24 A 47 ILE HG1y A 43 LEU HBx 1.0 3.0 6.0 63 24 A 43 LEU HBy A 47 ILE HG1y 1.0 3.0 6.0 64 25 A 43 LEU HG A 44 CYS H 1.0 3.0 6.0 65 26 A 44 CYS HA A 45 MET H 1.0 3.0 6.0 66 27 A 44 CYS HA A 47 ILE HB 1.0 3.0 6.0 67 28 A 43 LEU HG A 44 CYS HBx 1.0 3.0 6.0 68 28 A 43 LEU HG A 44 CYS HBy 1.0 3.0 6.0 69 29 A 45 MET H A 44 CYS HBx 1.0 3.0 6.0 70 29 A 44 CYS HBy A 45 MET H 1.0 3.0 6.0 71 30 A 47 ILE H A 45 MET HA 1.0 3.0 6.0 72 31 A 45 MET HA A 48 ARG HB2 1.0 3.0 6.0 73 31 A 45 MET HA A 48 ARG HB3 1.0 3.0 6.0 74 32 A 45 MET HA A 49 GLU H 1.0 3.0 6.0 75 33 A 47 ILE H A 46 LYS HA 1.0 3.0 6.0 76 34 A 46 LYS HA A 49 GLU HB2 1.0 3.0 6.0 77 34 A 49 GLU HB3 A 46 LYS HA 1.0 3.0 6.0 78 35 A 43 LEU HDy% A 46 LYS HG2 1.0 3.0 6.0 79 35 A 43 LEU HDx% A 46 LYS HG2 1.0 3.0 6.0 80 35 A 46 LYS HG3 A 43 LEU HDx% 1.0 3.0 6.0 81 35 A 43 LEU HDy% A 46 LYS HG3 1.0 3.0 6.0 82 36 A 44 CYS H A 46 LYS H 1.0 3.0 6.0 83 37 A 47 ILE HA A 49 GLU H 1.0 3.0 6.0 84 38 A 48 ARG HB2 A 48 ARG HG2 1.0 2.0 4.0 85 38 A 48 ARG HB3 A 48 ARG HG2 1.0 2.0 4.0 86 38 A 48 ARG HG3 A 48 ARG HB2 1.0 2.0 4.0 87 38 A 48 ARG HB3 A 48 ARG HG3 1.0 2.0 4.0 88 39 A 50 GLY H A 49 GLU HA 1.0 3.0 6.0 89 40 A 53 ASN HB2 A 53 ASN HD2y 1.0 3.0 6.0 90 40 A 53 ASN HB3 A 53 ASN HD2y 1.0 3.0 6.0 91 40 A 53 ASN HD2x A 53 ASN HB2 1.0 3.0 6.0 92 40 A 53 ASN HB3 A 53 ASN HD2x 1.0 3.0 6.0 93 41 A 9 TYR HE% A 55 LYS HBx 1.0 3.0 6.0 94 41 A 55 LYS HBy A 9 TYR HE% 1.0 3.0 6.0 95 42 A 57 ILE H A 57 ILE HG1x 1.0 3.0 6.0 96 42 A 57 ILE H A 57 ILE HG1y 1.0 3.0 6.0 stop_ save_ save_CNS/XPLOR_distance_constraints_7 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_7 _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 29 VAL N A 37 TYR O 1.0 2.5 3.3 2 2 A 29 VAL H A 37 TYR O 1.0 1.6 2.4 3 3 A 31 GLY N A 35 SER O 1.0 2.5 3.3 4 4 A 31 GLY H A 35 SER O 1.0 1.6 2.4 5 5 A 32 SER N A 55 LYS O 1.0 2.5 3.3 6 6 A 32 SER H A 55 LYS O 1.0 1.6 2.4 7 7 A 37 TYR N A 29 VAL O 1.0 2.5 3.3 8 8 A 37 TYR H A 29 VAL O 1.0 1.6 2.4 9 9 A 46 LYS N A 42 THR O 1.0 2.5 3.3 10 10 A 46 LYS H A 42 THR O 1.0 1.6 2.4 11 11 A 47 ILE N A 43 LEU O 1.0 2.5 3.3 12 12 A 47 ILE H A 43 LEU O 1.0 1.6 2.4 13 13 A 48 ARG N A 44 CYS O 1.0 2.5 3.3 14 14 A 48 ARG H A 44 CYS O 1.0 1.6 2.4 15 15 A 49 GLU N A 45 MET O 1.0 2.5 3.3 16 16 A 49 GLU H A 45 MET O 1.0 1.6 2.4 17 17 A 50 GLY N A 46 LYS O 1.0 2.5 3.3 18 18 A 50 GLY H A 46 LYS O 1.0 1.6 2.4 19 19 A 57 ILE N A 30 CYS O 1.0 2.5 3.3 20 20 A 57 ILE H A 30 CYS O 1.0 1.6 2.4 stop_ save_ save_CNS/XPLOR_dihedral_9 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_9 _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 9 TYR C A 10 ARG N A 10 ARG CA A 10 ARG C 1.0 -150.42 -80.02 PHI 2 2 A 10 ARG C A 11 THR N A 11 THR CA A 11 THR C 1.0 -137.17 -66.81 PHI 3 3 A 21 GLY C A 22 CYS N A 22 CYS CA A 22 CYS C 1.0 -159.53 -97.33 PHI 4 4 A 22 CYS C A 23 PRO N A 23 PRO CA A 23 PRO C 1.0 -116.06 -38.62 PHI 5 5 A 26 PHE C A 27 ASN N A 27 ASN CA A 27 ASN C 1.0 -159.51 -23.91 PHI 6 6 A 28 PRO C A 29 VAL N A 29 VAL CA A 29 VAL C 1.0 -162.14 -105.74 PHI 7 7 A 29 VAL C A 30 CYS N A 30 CYS CA A 30 CYS C 1.0 -158.84 -99.04 PHI 8 8 A 30 CYS C A 31 GLY N A 31 GLY CA A 31 GLY C 1.0 -157.12 -64.48 PHI 9 9 A 34 MET C A 35 SER N A 35 SER CA A 35 SER C 1.0 -186.56 -63.00 PHI 10 10 A 35 SER C A 36 THR N A 36 THR CA A 36 THR C 1.0 -133.86 -76.50 PHI 11 11 A 36 THR C A 37 TYR N A 37 TYR CA A 37 TYR C 1.0 -149.28 -70.96 PHI 12 12 A 46 LYS C A 47 ILE N A 47 ILE CA A 47 ILE C 1.0 -71.24 -50.28 PHI 13 13 A 47 ILE C A 48 ARG N A 48 ARG CA A 48 ARG C 1.0 -109.70 -52.98 PHI 14 14 A 51 GLY C A 52 HIS N A 52 HIS CA A 52 HIS C 1.0 -150.20 -51.80 PHI 15 15 A 54 ILE C A 55 LYS N A 55 LYS CA A 55 LYS C 1.0 -165.79 -70.35 PHI 16 16 A 57 ILE C A 58 ARG N A 58 ARG CA A 58 ARG C 1.0 -178.26 -121.82 PHI 17 17 A 10 ARG N A 10 ARG CA A 10 ARG C A 11 THR N 1.0 89.99 161.91 PSI 18 18 A 11 THR N A 11 THR CA A 11 THR C A 12 PRO N 1.0 73.54 157.26 PSI 19 19 A 22 CYS N A 22 CYS CA A 22 CYS C A 23 PRO N 1.0 113.32 181.84 PSI 20 20 A 23 PRO N A 23 PRO CA A 23 PRO C A 24 ARG N 1.0 119.00 158.68 PSI 21 21 A 27 ASN N A 27 ASN CA A 27 ASN C A 28 PRO N 1.0 82.41 169.65 PSI 22 22 A 29 VAL N A 29 VAL CA A 29 VAL C A 30 CYS N 1.0 123.05 174.05 PSI 23 23 A 30 CYS N A 30 CYS CA A 30 CYS C A 31 GLY N 1.0 118.59 168.67 PSI 24 24 A 31 GLY N A 31 GLY CA A 31 GLY C A 32 SER N 1.0 110.00 177.32 PSI 25 25 A 35 SER N A 35 SER CA A 35 SER C A 36 THR N 1.0 102.27 186.15 PSI 26 26 A 36 THR N A 36 THR CA A 36 THR C A 37 TYR N 1.0 95.47 138.11 PSI 27 27 A 37 TYR N A 37 TYR CA A 37 TYR C A 38 ALA N 1.0 89.06 187.34 PSI 28 28 A 47 ILE N A 47 ILE CA A 47 ILE C A 48 ARG N 1.0 -48.99 -10.03 PSI 29 29 A 48 ARG N A 48 ARG CA A 48 ARG C A 49 GLU N 1.0 -37.98 23.30 PSI 30 30 A 52 HIS N A 52 HIS CA A 52 HIS C A 53 ASN N 1.0 75.01 186.69 PSI 31 31 A 55 LYS N A 55 LYS CA A 55 LYS C A 56 ILE N 1.0 106.44 194.00 PSI 32 32 A 58 ARG N A 58 ARG CA A 58 ARG C A 59 ASN N 1.0 130.34 194.14 PSI stop_ save_