data_nef_c25261_2mvd save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 25260 PDB 2mvc PDB 2MVD 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 6 CYS SG 1 11 CYS SG 1 7 CYS SG 2 7 CYS SG 1 20 CYS SG 2 19 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 GLY start . false 2 A 2 ILE middle . . 3 A 3 VAL middle . . 4 A 4 GLU middle . . 5 A 5 GLN middle . . 6 A 6 CYS middle -HG . 7 A 7 CYS middle -HG . 8 A 8 THR middle . . 9 A 9 SER middle . . 10 A 10 ILE middle . . 11 A 11 CYS middle -HG . 12 A 12 SER middle . . 13 A 13 LEU middle . . 14 A 14 TYR middle . . 15 A 15 GLN middle . . 16 A 16 LEU middle . . 17 A 17 GLU middle . . 18 A 18 ASN middle . . 19 A 19 TYR middle . . 20 A 20 CYS middle -HG . 21 A 21 ASN end . . 22 B 31 PHE start . . 23 B 32 VAL middle . . 24 B 33 ASN middle . . 25 B 34 GLN middle . . 26 B 35 HIS middle . . 27 B 36 LEU middle . . 28 B 37 CYS middle -HG . 29 B 38 GLY middle . false 30 B 39 SER middle . . 31 B 40 HIS middle . . 32 B 41 LEU middle . . 33 B 42 VAL middle . . 34 B 43 GLU middle . . 35 B 44 ALA middle . . 36 B 45 LEU middle . . 37 B 46 TYR middle . . 38 B 47 LEU middle . . 39 B 48 VAL middle . . 40 B 49 CYS middle -HG . 41 B 50 GLY middle . false 42 B 51 GLU middle . . 43 B 52 GLN middle . . 44 B 53 GLY middle . false 45 B 54 PHE middle . . 46 B 55 PHE middle . . 47 B 56 TYR middle . . 48 B 57 THR middle . . 49 B 58 PRO middle . false 50 B 59 LYS middle . . 51 B 60 THR end . . 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 1 GLY HAx H 1 4.021 0.015 A 1 GLY HAy H 1 4.021 0.015 A 2 ILE H H 1 8.521 0.015 A 2 ILE HA H 1 3.993 0.015 A 2 ILE HB H 1 1.369 0.015 A 2 ILE HD1% H 1 0.683 0.015 A 2 ILE HG1y H 1 1.215 0.015 A 2 ILE HG1x H 1 0.997 0.015 A 2 ILE HG2% H 1 0.803 0.015 A 3 VAL H H 1 8.136 0.015 A 3 VAL HA H 1 3.7 0.015 A 3 VAL HB H 1 1.941 0.015 A 3 VAL HGx% H 1 0.944 0.015 A 3 VAL HGy% H 1 0.897 0.015 A 4 GLU H H 1 8.316 0.015 A 4 GLU HA H 1 4.262 0.015 A 4 GLU HBy H 1 2.166 0.015 A 4 GLU HBx H 1 2.099 0.015 A 4 GLU HGx H 1 2.505 0.015 A 4 GLU HGy H 1 2.505 0.015 A 5 GLN H H 1 8.315 0.015 A 5 GLN HA H 1 4.126 0.015 A 5 GLN HBx H 1 2.114 0.015 A 5 GLN HBy H 1 2.114 0.015 A 5 GLN HGx H 1 2.424 0.015 A 5 GLN HGy H 1 2.424 0.015 A 6 CYS H H 1 8.315 0.015 A 6 CYS HA H 1 4.412 0.015 A 6 CYS HBx H 1 2.901 0.015 A 6 CYS HBy H 1 3.354 0.015 A 7 CYS H H 1 8.308 0.015 A 7 CYS HA H 1 4.869 0.015 A 7 CYS HBx H 1 3.326 0.015 A 7 CYS HBy H 1 3.764 0.015 A 8 THR H H 1 8.217 0.015 A 8 THR HA H 1 4.111 0.015 A 8 THR HB H 1 4.427 0.015 A 8 THR HG2% H 1 1.267 0.015 A 9 SER HA H 1 4.782 0.015 A 9 SER HBy H 1 4.054 0.015 A 9 SER HBx H 1 3.911 0.015 A 10 ILE H H 1 7.846 0.015 A 10 ILE HA H 1 4.368 0.015 A 10 ILE HB H 1 1.593 0.015 A 10 ILE HD1% H 1 0.544 0.015 A 10 ILE HG1y H 1 1.114 0.015 A 10 ILE HG1x H 1 0.483 0.015 A 10 ILE HG2% H 1 0.668 0.015 A 11 CYS HBy H 1 3.228 0.015 A 12 SER H H 1 8.768 0.015 A 12 SER HA H 1 4.611 0.015 A 12 SER HBy H 1 4.312 0.015 A 12 SER HBx H 1 4.017 0.015 A 13 LEU H H 1 8.616 0.015 A 13 LEU HA H 1 3.879 0.015 A 13 LEU HBy H 1 1.429 0.015 A 13 LEU HBx H 1 1.356 0.015 A 13 LEU HDx% H 1 0.81 0.015 A 13 LEU HDy% H 1 0.752 0.015 A 13 LEU HG H 1 1.38 0.015 A 14 TYR H H 1 7.497 0.015 A 14 TYR HA H 1 4.2 0.015 A 14 TYR HBy H 1 3.013 0.015 A 14 TYR HBx H 1 2.917 0.015 A 14 TYR HDx H 1 7.072 0.015 A 14 TYR HDy H 1 7.072 0.015 A 14 TYR HEx H 1 6.842 0.015 A 14 TYR HEy H 1 6.842 0.015 A 15 GLN H H 1 7.583 0.015 A 15 GLN HA H 1 4.009 0.015 A 15 GLN HBy H 1 2.39 0.015 A 15 GLN HBx H 1 2.055 0.015 A 15 GLN HE2y H 1 7.501 0.015 A 15 GLN HE2x H 1 6.952 0.015 A 15 GLN HGy H 1 2.453 0.015 A 15 GLN HGx H 1 2.423 0.015 A 16 LEU H H 1 8.117 0.015 A 16 LEU HA H 1 4.201 0.015 A 16 LEU HBy H 1 1.917 0.015 A 16 LEU HBx H 1 1.635 0.015 A 16 LEU HDx% H 1 0.875 0.015 A 16 LEU HDy% H 1 0.833 0.015 A 16 LEU HG H 1 1.753 0.015 A 17 GLU H H 1 8.096 0.015 A 17 GLU HA H 1 4.195 0.015 A 17 GLU HBy H 1 2.135 0.015 A 17 GLU HBx H 1 2.066 0.015 A 17 GLU HGy H 1 2.58 0.015 A 17 GLU HGx H 1 2.361 0.015 A 18 ASN H H 1 7.457 0.015 A 18 ASN HA H 1 4.494 0.015 A 18 ASN HBy H 1 2.619 0.015 A 18 ASN HBx H 1 2.553 0.015 A 18 ASN HD2y H 1 7.168 0.015 A 18 ASN HD2x H 1 6.547 0.015 A 19 TYR H H 1 7.942 0.015 A 19 TYR HA H 1 4.501 0.015 A 19 TYR HBy H 1 3.339 0.015 A 19 TYR HBx H 1 3.016 0.015 A 19 TYR HDx H 1 7.333 0.015 A 19 TYR HDy H 1 7.333 0.015 A 19 TYR HEx H 1 6.773 0.015 A 19 TYR HEy H 1 6.773 0.015 A 20 CYS H H 1 7.518 0.015 A 20 CYS HA H 1 4.771 0.015 A 20 CYS HBx H 1 2.852 0.015 A 20 CYS HBy H 1 3.275 0.015 A 21 ASN H H 1 8.257 0.015 A 21 ASN HA H 1 4.751 0.015 A 21 ASN HBy H 1 2.867 0.015 A 21 ASN HBx H 1 2.763 0.015 A 21 ASN HD2y H 1 7.507 0.015 A 21 ASN HD2x H 1 6.787 0.015 B 31 PHE HA H 1 4.281 0.015 B 31 PHE HBx H 1 3.179 0.015 B 31 PHE HBy H 1 3.179 0.015 B 31 PHE HDx H 1 7.232 0.015 B 31 PHE HDy H 1 7.232 0.015 B 31 PHE HEx H 1 7.37 0.015 B 31 PHE HEy H 1 7.37 0.015 B 31 PHE HZ H 1 7.299 0.015 B 32 VAL H H 1 8.152 0.015 B 32 VAL HA H 1 4.15 0.015 B 32 VAL HB H 1 1.915 0.015 B 32 VAL HGx% H 1 0.869 0.015 B 32 VAL HGy% H 1 0.869 0.015 B 33 ASN H H 1 8.498 0.015 B 33 ASN HA H 1 4.74 0.015 B 33 ASN HBx H 1 2.738 0.015 B 33 ASN HBy H 1 2.738 0.015 B 33 ASN HD2y H 1 7.544 0.015 B 33 ASN HD2x H 1 6.926 0.015 B 34 GLN H H 1 8.437 0.015 B 34 GLN HA H 1 4.508 0.015 B 34 GLN HBy H 1 2.111 0.015 B 34 GLN HBx H 1 1.936 0.015 B 34 GLN HGy H 1 2.281 0.015 B 34 GLN HGx H 1 2.168 0.015 B 35 HIS H H 1 8.659 0.015 B 35 HIS HA H 1 4.491 0.015 B 35 HIS HBy H 1 3.559 0.015 B 35 HIS HBx H 1 3.271 0.015 B 35 HIS HD2 H 1 7.405 0.015 B 35 HIS HE1 H 1 8.603 0.015 B 36 LEU H H 1 8.967 0.015 B 36 LEU HA H 1 4.533 0.015 B 36 LEU HBy H 1 1.784 0.015 B 36 LEU HBx H 1 0.917 0.015 B 36 LEU HDx% H 1 0.757 0.015 B 36 LEU HDy% H 1 0.757 0.015 B 36 LEU HG H 1 1.633 0.015 B 37 CYS H H 1 8.355 0.015 B 37 CYS HA H 1 5.002 0.015 B 37 CYS HBy H 1 3.244 0.015 B 37 CYS HBx H 1 2.982 0.015 B 38 GLY H H 1 9.232 0.015 B 38 GLY HAy H 1 4.023 0.015 B 38 GLY HAx H 1 3.877 0.015 B 39 SER H H 1 9.062 0.015 B 39 SER HA H 1 4.163 0.015 B 39 SER HBy H 1 4.038 0.015 B 39 SER HBx H 1 3.916 0.015 B 40 HIS H H 1 8.051 0.015 B 40 HIS HA H 1 4.556 0.015 B 40 HIS HBy H 1 3.586 0.015 B 40 HIS HBx H 1 3.336 0.015 B 40 HIS HD2 H 1 7.487 0.015 B 40 HIS HE1 H 1 8.702 0.015 B 41 LEU H H 1 7.174 0.015 B 41 LEU HA H 1 4.068 0.015 B 41 LEU HBy H 1 1.905 0.015 B 41 LEU HBx H 1 1.289 0.015 B 41 LEU HDx% H 1 0.779 0.015 B 41 LEU HDy% H 1 0.829 0.015 B 41 LEU HG H 1 1.377 0.015 B 42 VAL H H 1 7.233 0.015 B 42 VAL HA H 1 3.428 0.015 B 42 VAL HB H 1 2.066 0.015 B 42 VAL HGx% H 1 0.971 0.015 B 42 VAL HGy% H 1 0.921 0.015 B 43 GLU H H 1 7.958 0.015 B 43 GLU HA H 1 4.13 0.015 B 43 GLU HBy H 1 2.18 0.015 B 43 GLU HBx H 1 2.118 0.015 B 43 GLU HGx H 1 2.559 0.015 B 43 GLU HGy H 1 2.559 0.015 B 44 ALA H H 1 7.791 0.015 B 44 ALA HA H 1 4.134 0.015 B 44 ALA HB% H 1 1.518 0.015 B 45 LEU H H 1 8.106 0.015 B 45 LEU HA H 1 3.991 0.015 B 45 LEU HBx H 1 1.551 0.015 B 45 LEU HBy H 1 1.571 0.015 B 45 LEU HDx% H 1 0.743 0.015 B 45 LEU HDy% H 1 0.61 0.015 B 45 LEU HG H 1 1.178 0.015 B 46 TYR H H 1 8.122 0.015 B 46 TYR HA H 1 4.26 0.015 B 46 TYR HBx H 1 3.135 0.015 B 46 TYR HBy H 1 3.135 0.015 B 46 TYR HDx H 1 7.106 0.015 B 46 TYR HDy H 1 7.106 0.015 B 46 TYR HEx H 1 6.773 0.015 B 46 TYR HEy H 1 6.773 0.015 B 47 LEU H H 1 7.841 0.015 B 47 LEU HA H 1 4.138 0.015 B 47 LEU HBy H 1 1.931 0.015 B 47 LEU HBx H 1 1.682 0.015 B 47 LEU HDx% H 1 0.927 0.015 B 47 LEU HDy% H 1 0.927 0.015 B 47 LEU HG H 1 1.837 0.015 B 48 VAL H H 1 8.465 0.015 B 48 VAL HA H 1 3.924 0.015 B 48 VAL HB H 1 2.141 0.015 B 48 VAL HGx% H 1 1.04 0.015 B 48 VAL HGy% H 1 0.917 0.015 B 49 CYS H H 1 8.691 0.015 B 49 CYS HA H 1 4.805 0.015 B 49 CYS HBy H 1 3.269 0.015 B 49 CYS HBx H 1 2.932 0.015 B 50 GLY H H 1 7.764 0.015 B 50 GLY HAx H 1 3.982 0.015 B 50 GLY HAy H 1 3.982 0.015 B 51 GLU H H 1 8.216 0.015 B 51 GLU HA H 1 4.262 0.015 B 51 GLU HBy H 1 2.171 0.015 B 51 GLU HBx H 1 2.087 0.015 B 51 GLU HGy H 1 2.522 0.015 B 51 GLU HGx H 1 2.489 0.015 B 52 GLN H H 1 8.185 0.015 B 52 GLN HA H 1 4.284 0.015 B 52 GLN HBy H 1 2.205 0.015 B 52 GLN HBx H 1 2.089 0.015 B 52 GLN HGx H 1 2.427 0.015 B 52 GLN HGy H 1 2.427 0.015 B 53 GLY H H 1 7.931 0.015 B 53 GLY HAy H 1 3.946 0.015 B 53 GLY HAx H 1 3.866 0.015 B 54 PHE H H 1 7.787 0.015 B 54 PHE HA H 1 4.701 0.015 B 54 PHE HBy H 1 3.036 0.015 B 54 PHE HBx H 1 2.922 0.015 B 54 PHE HDx H 1 7.02 0.015 B 54 PHE HDy H 1 7.02 0.015 B 54 PHE HEx H 1 7.173 0.015 B 54 PHE HEy H 1 7.173 0.015 B 55 PHE H H 1 8.116 0.015 B 55 PHE HA H 1 4.64 0.015 B 55 PHE HBy H 1 3.104 0.015 B 55 PHE HBx H 1 2.97 0.015 B 55 PHE HDx H 1 7.177 0.015 B 55 PHE HDy H 1 7.177 0.015 B 55 PHE HEx H 1 7.293 0.015 B 55 PHE HEy H 1 7.293 0.015 B 55 PHE HZ H 1 7.248 0.015 B 56 TYR H H 1 7.97 0.015 B 56 TYR HA H 1 4.618 0.015 B 56 TYR HBx H 1 2.946 0.015 B 56 TYR HBy H 1 2.946 0.015 B 56 TYR HDx H 1 7.045 0.015 B 56 TYR HDy H 1 7.045 0.015 B 56 TYR HEx H 1 6.778 0.015 B 56 TYR HEy H 1 6.778 0.015 B 57 THR H H 1 7.839 0.015 B 57 THR HA H 1 4.571 0.015 B 57 THR HB H 1 4.081 0.015 B 57 THR HG2% H 1 1.209 0.015 B 58 PRO HA H 1 4.362 0.015 B 58 PRO HBy H 1 2.27 0.015 B 58 PRO HBx H 1 2.022 0.015 B 58 PRO HDx H 1 3.67 0.015 B 58 PRO HDy H 1 3.67 0.015 B 58 PRO HGx H 1 1.946 0.015 B 58 PRO HGy H 1 1.946 0.015 B 59 LYS H H 1 8.274 0.015 B 59 LYS HA H 1 4.412 0.015 B 59 LYS HBy H 1 1.89 0.015 B 59 LYS HBx H 1 1.791 0.015 B 59 LYS HDx H 1 1.497 0.015 B 59 LYS HDy H 1 1.497 0.015 B 59 LYS HEx H 1 3.016 0.015 B 59 LYS HEy H 1 3.016 0.015 B 59 LYS HGx H 1 1.706 0.015 B 59 LYS HGy H 1 1.706 0.015 B 60 THR H H 1 8.061 0.015 B 60 THR HA H 1 4.482 0.015 B 60 THR HB H 1 4.415 0.015 B 60 THR HG2% H 1 1.196 0.015 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 B 49 CYS H B 50 GLY HAx 1.0 0.0 5.03 2 1 B 49 CYS H B 50 GLY HAy 1.0 0.0 5.03 3 2 B 49 CYS H B 47 LEU HA 1.0 0.0 5.12 4 3 B 49 CYS H B 46 TYR HA 1.0 0.0 4.57 5 4 A 10 ILE HD1% B 35 HIS H 1.0 0.0 4.55 6 5 A 10 ILE HD1% B 35 HIS HE1 1.0 0.0 4.03 7 6 B 35 HIS HE1 A 10 ILE HG2% 1.0 0.0 5.14 8 7 A 13 LEU H A 13 LEU HDy% 1.0 0.0 4.29 9 8 A 13 LEU H A 13 LEU HDx% 1.0 0.0 4.29 10 9 A 2 ILE H A 2 ILE HG2% 1.0 0.0 3.19 11 10 A 2 ILE H A 2 ILE HD1% 1.0 0.0 4.51 12 11 A 10 ILE HG2% B 34 GLN H 1.0 0.0 3.99 13 12 A 10 ILE HD1% B 34 GLN H 1.0 0.0 5.09 14 13 B 33 ASN H B 32 VAL HGx% 1.0 0.0 3.57 15 13 B 32 VAL HGy% B 33 ASN H 1.0 0.0 3.57 16 14 A 2 ILE H A 2 ILE HG1x 1.0 0.0 4.71 17 15 A 13 LEU H A 13 LEU HBy 1.0 0.0 4.02 18 16 A 13 LEU H A 13 LEU HBx 1.0 0.0 4.02 19 17 B 49 CYS H B 48 VAL HGy% 1.0 0.0 3.89 20 18 B 49 CYS H B 48 VAL HGx% 1.0 0.0 3.89 21 19 B 48 VAL H B 47 LEU HDx% 1.0 0.0 4.30 22 19 B 47 LEU HDy% B 48 VAL H 1.0 0.0 4.30 23 20 B 48 VAL H B 48 VAL HGy% 1.0 0.0 4.56 24 21 B 48 VAL H B 48 VAL HGx% 1.0 0.0 4.56 25 22 B 48 VAL H B 47 LEU HBx 1.0 0.0 4.57 26 23 B 37 CYS H B 36 LEU HDx% 1.0 0.0 4.40 27 23 B 36 LEU HDy% B 37 CYS H 1.0 0.0 4.40 28 24 B 45 LEU H B 45 LEU HDy% 1.0 0.0 4.86 29 25 B 45 LEU H B 36 LEU HDx% 1.0 0.0 4.56 30 25 B 36 LEU HDy% B 45 LEU H 1.0 0.0 4.56 31 26 B 45 LEU H B 45 LEU HDx% 1.0 0.0 4.86 32 27 A 2 ILE HG2% A 3 VAL H 1.0 0.0 3.31 33 28 B 32 VAL H B 32 VAL HGx% 1.0 0.0 3.49 34 28 B 32 VAL HGy% B 32 VAL H 1.0 0.0 3.49 35 29 B 45 LEU H B 45 LEU HG 1.0 0.0 5.50 36 30 B 45 LEU H B 44 ALA HB% 1.0 0.0 3.45 37 31 B 45 LEU HBy B 46 TYR H 1.0 0.0 3.76 38 32 B 45 LEU H B 45 LEU HBx 1.0 0.0 3.66 39 33 A 16 LEU H A 16 LEU HBx 1.0 0.0 4.14 40 34 A 16 LEU H A 16 LEU HG 1.0 0.0 4.91 41 35 A 16 LEU HG A 17 GLU H 1.0 0.0 5.39 42 36 A 2 ILE H A 1 GLY HAx 1.0 0.0 3.00 43 36 A 2 ILE H A 1 GLY HAy 1.0 0.0 3.00 44 37 A 2 ILE H A 3 VAL H 1.0 0.0 3.72 45 38 A 3 VAL H A 3 VAL HB 1.0 0.0 3.50 46 39 A 16 LEU H A 16 LEU HBy 1.0 0.0 4.14 47 40 A 3 VAL H A 4 GLU HGx 1.0 0.0 4.85 48 40 A 3 VAL H A 4 GLU HGy 1.0 0.0 4.85 49 41 B 32 VAL H B 31 PHE HBx 1.0 0.0 3.96 50 41 B 32 VAL H B 31 PHE HBy 1.0 0.0 3.96 51 42 A 19 TYR H A 19 TYR HE% 1.0 0.0 5.18 52 43 B 46 TYR HE% B 53 GLY H 1.0 0.0 5.50 53 44 A 16 LEU H A 19 TYR HE% 1.0 0.0 4.65 54 45 A 2 ILE H A 19 TYR HE% 1.0 0.0 4.73 55 46 A 2 ILE HG2% A 4 GLU H 1.0 0.0 5.42 56 47 B 52 GLN H B 52 GLN HGx 1.0 0.0 3.55 57 47 B 52 GLN H B 52 GLN HGy 1.0 0.0 3.55 58 48 A 5 GLN H A 5 GLN HGx 1.0 0.0 4.66 59 48 A 5 GLN H A 5 GLN HGy 1.0 0.0 4.66 60 49 A 6 CYS H A 5 GLN HGx 1.0 0.0 5.08 61 49 A 5 GLN HGy A 6 CYS H 1.0 0.0 5.08 62 50 A 7 CYS H A 8 THR H 1.0 0.0 4.02 63 51 B 51 GLU H B 51 GLU HGy 1.0 0.0 5.14 64 52 B 51 GLU H B 51 GLU HGx 1.0 0.0 5.14 65 53 A 8 THR H A 8 THR HG2% 1.0 0.0 4.54 66 54 B 57 THR H B 57 THR HB 1.0 0.0 3.99 67 55 A 10 ILE H A 10 ILE HB 1.0 0.0 3.75 68 56 A 10 ILE HG2% A 10 ILE H 1.0 0.0 4.33 69 57 A 10 ILE HD1% A 10 ILE H 1.0 0.0 4.45 70 58 A 10 ILE H A 10 ILE HG1y 1.0 0.0 4.77 71 59 A 12 SER H A 15 GLN H 1.0 0.0 4.80 72 60 A 13 LEU H A 12 SER HBy 1.0 0.0 4.00 73 61 A 13 LEU H A 12 SER HA 1.0 0.0 3.06 74 62 A 13 LEU H A 14 TYR H 1.0 0.0 3.78 75 63 B 35 HIS H B 35 HIS HD2 1.0 0.0 3.70 76 64 A 14 TYR H A 14 TYR HBx 1.0 0.0 3.82 77 65 A 14 TYR H A 14 TYR HBy 1.0 0.0 3.82 78 66 A 15 GLN H A 14 TYR HBx 1.0 0.0 4.51 79 67 A 15 GLN H A 14 TYR HBy 1.0 0.0 4.51 80 68 B 40 HIS HA B 40 HIS HD2 1.0 0.0 4.00 81 69 A 14 TYR H A 13 LEU HG 1.0 0.0 4.66 82 70 A 15 GLN H A 14 TYR H 1.0 0.0 4.06 83 71 A 14 TYR H A 14 TYR HD% 1.0 0.0 4.30 84 72 A 14 TYR HD% A 14 TYR HA 1.0 0.0 3.48 85 73 A 15 GLN H A 15 GLN HBx 1.0 0.0 4.16 86 74 A 15 GLN H A 15 GLN HGy 1.0 0.0 5.48 87 75 A 15 GLN H A 15 GLN HGx 1.0 0.0 5.48 88 76 A 15 GLN H A 15 GLN HBy 1.0 0.0 4.16 89 77 A 16 LEU H A 15 GLN H 1.0 0.0 3.53 90 78 B 46 TYR H B 46 TYR HD% 1.0 0.0 4.25 91 79 A 16 LEU H A 14 TYR H 1.0 0.0 4.48 92 80 A 17 GLU H A 19 TYR H 1.0 0.0 4.84 93 81 B 45 LEU H B 43 GLU H 1.0 0.0 5.50 94 82 B 55 PHE H B 56 TYR H 1.0 0.0 5.28 95 83 B 46 TYR H B 47 LEU H 1.0 0.0 3.73 96 84 B 55 PHE H B 54 PHE HBy 1.0 0.0 4.16 97 85 B 55 PHE H B 55 PHE HBx 1.0 0.0 3.79 98 86 B 55 PHE H B 54 PHE HBx 1.0 0.0 4.16 99 87 A 16 LEU HA A 19 TYR HD% 1.0 0.0 3.29 100 88 A 16 LEU HA A 16 LEU HDx% 1.0 0.0 4.02 101 89 A 16 LEU HA A 16 LEU HDy% 1.0 0.0 4.02 102 90 A 16 LEU HA A 18 ASN H 1.0 0.0 4.55 103 91 A 18 ASN H A 15 GLN HA 1.0 0.0 4.60 104 92 A 18 ASN H A 18 ASN HBy 1.0 0.0 3.77 105 93 A 18 ASN H A 17 GLU HBx 1.0 0.0 4.68 106 94 A 18 ASN H A 17 GLU HBy 1.0 0.0 4.68 107 95 A 19 TYR H A 16 LEU HA 1.0 0.0 4.19 108 96 A 19 TYR H A 17 GLU HA 1.0 0.0 4.54 109 97 A 19 TYR H A 19 TYR HBy 1.0 0.0 3.79 110 98 A 19 TYR H A 19 TYR HBx 1.0 0.0 3.79 111 99 A 19 TYR H A 18 ASN H 1.0 0.0 3.57 112 100 A 19 TYR H A 19 TYR HD% 1.0 0.0 3.41 113 101 A 19 TYR H A 20 CYS H 1.0 0.0 3.41 114 102 A 20 CYS H A 18 ASN HA 1.0 0.0 4.61 115 103 A 20 CYS H A 21 ASN H 1.0 0.0 4.64 116 104 A 21 ASN H A 20 CYS HA 1.0 0.0 3.42 117 105 A 21 ASN H A 21 ASN HBy 1.0 0.0 3.94 118 106 A 21 ASN H A 21 ASN HBx 1.0 0.0 3.94 119 107 B 31 PHE HA B 31 PHE HD% 1.0 0.0 3.75 120 108 B 31 PHE HD% B 32 VAL HA 1.0 0.0 5.14 121 109 B 39 SER HA B 42 VAL H 1.0 0.0 5.39 122 110 B 31 PHE HD% A 13 LEU HDy% 1.0 0.0 4.72 123 111 B 31 PHE HD% A 13 LEU HDx% 1.0 0.0 4.72 124 112 A 10 ILE HD1% B 35 HIS HD2 1.0 0.0 4.54 125 113 B 32 VAL H B 31 PHE HA 1.0 0.0 3.14 126 114 B 32 VAL H B 31 PHE HD% 1.0 0.0 4.55 127 115 B 33 ASN H B 32 VAL HA 1.0 0.0 2.71 128 116 B 33 ASN H B 33 ASN HBx 1.0 0.0 3.01 129 116 B 33 ASN H B 33 ASN HBy 1.0 0.0 3.01 130 117 B 33 ASN H B 32 VAL HB 1.0 0.0 4.36 131 118 B 34 GLN H B 33 ASN HA 1.0 0.0 2.91 132 119 B 48 VAL H B 47 LEU HBy 1.0 0.0 4.57 133 120 B 35 HIS H B 34 GLN HBx 1.0 0.0 4.33 134 121 B 35 HIS H B 34 GLN HBy 1.0 0.0 4.33 135 122 B 35 HIS H B 34 GLN HGx 1.0 0.0 5.09 136 123 B 35 HIS H B 35 HIS HBy 1.0 0.0 4.10 137 124 B 35 HIS H B 34 GLN HA 1.0 0.0 3.07 138 125 B 37 CYS H B 36 LEU HA 1.0 0.0 3.07 139 126 B 37 CYS H B 40 HIS HBy 1.0 0.0 4.40 140 127 B 37 CYS H B 40 HIS HBx 1.0 0.0 4.40 141 128 B 37 CYS H B 37 CYS HBy 1.0 0.0 3.91 142 129 B 37 CYS H B 37 CYS HBx 1.0 0.0 3.91 143 130 B 39 SER H B 40 HIS H 1.0 0.0 4.18 144 131 B 42 VAL H B 40 HIS H 1.0 0.0 5.19 145 132 B 40 HIS H B 40 HIS HBy 1.0 0.0 3.84 146 133 B 40 HIS H B 39 SER HBx 1.0 0.0 4.76 147 134 B 40 HIS H B 39 SER HBy 1.0 0.0 4.76 148 135 B 40 HIS HA B 43 GLU H 1.0 0.0 4.14 149 136 B 43 GLU H B 42 VAL HGx% 1.0 0.0 4.08 150 137 B 43 GLU H B 42 VAL HGy% 1.0 0.0 4.08 151 138 B 42 VAL H B 42 VAL HGy% 1.0 0.0 4.44 152 139 B 42 VAL H B 42 VAL HGx% 1.0 0.0 4.44 153 140 B 43 GLU H B 43 GLU HBy 1.0 0.0 3.58 154 141 B 43 GLU H B 43 GLU HBx 1.0 0.0 3.58 155 142 B 43 GLU H B 42 VAL HB 1.0 0.0 3.99 156 143 A 19 TYR H A 18 ASN HBx 1.0 0.0 4.35 157 144 B 43 GLU H B 43 GLU HGx 1.0 0.0 4.69 158 144 B 43 GLU H B 43 GLU HGy 1.0 0.0 4.69 159 145 B 44 ALA H B 43 GLU HBx 1.0 0.0 4.05 160 146 B 44 ALA H B 43 GLU HBy 1.0 0.0 4.05 161 147 B 44 ALA H B 43 GLU HGx 1.0 0.0 4.59 162 147 B 43 GLU HGy B 44 ALA H 1.0 0.0 4.59 163 148 B 44 ALA HB% B 44 ALA H 1.0 0.0 3.04 164 149 B 44 ALA HB% B 43 GLU H 1.0 0.0 4.73 165 150 B 44 ALA H B 47 LEU HDx% 1.0 0.0 4.49 166 150 B 47 LEU HDy% B 44 ALA H 1.0 0.0 4.49 167 151 B 44 ALA H B 36 LEU HDx% 1.0 0.0 4.66 168 151 B 36 LEU HDy% B 44 ALA H 1.0 0.0 4.66 169 152 B 43 GLU H B 42 VAL H 1.0 0.0 3.85 170 153 B 43 GLU H B 44 ALA H 1.0 0.0 3.56 171 154 B 45 LEU H B 44 ALA H 1.0 0.0 3.48 172 155 B 55 PHE H B 54 PHE H 1.0 0.0 3.95 173 156 B 45 LEU H B 42 VAL HA 1.0 0.0 4.67 174 157 B 46 TYR H B 42 VAL HA 1.0 0.0 5.01 175 158 B 46 TYR H B 43 GLU HA 1.0 0.0 4.13 176 159 B 46 TYR H B 46 TYR HBx 1.0 0.0 3.02 177 159 B 46 TYR H B 46 TYR HBy 1.0 0.0 3.02 178 160 B 55 PHE H B 55 PHE HBy 1.0 0.0 3.79 179 161 B 46 TYR HA B 46 TYR HD% 1.0 0.0 3.43 180 162 B 47 LEU HA B 46 TYR HD% 1.0 0.0 3.91 181 163 B 46 TYR HA B 46 TYR HE% 1.0 0.0 4.81 182 164 B 46 TYR HD% B 47 LEU HG 1.0 0.0 4.51 183 165 B 46 TYR HD% B 47 LEU HDx% 1.0 0.0 3.57 184 165 B 47 LEU HDy% B 46 TYR HD% 1.0 0.0 3.57 185 166 B 46 TYR HE% B 47 LEU HDx% 1.0 0.0 3.86 186 166 B 47 LEU HDy% B 46 TYR HE% 1.0 0.0 3.86 187 167 B 46 TYR HD% B 47 LEU H 1.0 0.0 4.64 188 168 B 47 LEU H B 47 LEU HG 1.0 0.0 4.12 189 169 B 47 LEU H B 47 LEU HDx% 1.0 0.0 4.54 190 169 B 47 LEU HDy% B 47 LEU H 1.0 0.0 4.54 191 170 B 48 VAL H B 45 LEU HA 1.0 0.0 4.16 192 171 B 48 VAL H B 48 VAL HB 1.0 0.0 3.62 193 172 B 49 CYS H B 48 VAL HB 1.0 0.0 4.12 194 173 B 49 CYS H B 50 GLY H 1.0 0.0 3.56 195 174 B 48 VAL H B 47 LEU H 1.0 0.0 3.96 196 175 B 49 CYS H B 48 VAL H 1.0 0.0 3.54 197 176 B 48 VAL H B 45 LEU H 1.0 0.0 5.43 198 177 B 46 TYR HA B 50 GLY H 1.0 0.0 4.67 199 178 B 51 GLU H B 50 GLY H 1.0 0.0 3.96 200 179 B 51 GLU H B 50 GLY HAx 1.0 0.0 3.26 201 179 B 50 GLY HAy B 51 GLU H 1.0 0.0 3.26 202 180 B 53 GLY H B 52 GLN H 1.0 0.0 3.53 203 181 B 44 ALA H B 41 LEU HA 1.0 0.0 4.53 204 182 B 53 GLY H B 54 PHE H 1.0 0.0 4.52 205 183 B 54 PHE HE% B 45 LEU HDy% 1.0 0.0 5.50 206 184 B 54 PHE HA B 54 PHE HD% 1.0 0.0 3.80 207 185 B 46 TYR HA B 54 PHE HE% 1.0 0.0 3.97 208 186 B 54 PHE H B 54 PHE HD% 1.0 0.0 3.80 209 187 B 46 TYR H B 54 PHE HD% 1.0 0.0 5.05 210 188 B 55 PHE H B 54 PHE HD% 1.0 0.0 5.29 211 189 B 46 TYR H B 54 PHE HE% 1.0 0.0 4.59 212 190 B 55 PHE H B 55 PHE HD% 1.0 0.0 4.99 213 191 B 55 PHE H B 54 PHE HA 1.0 0.0 3.49 214 192 A 16 LEU H A 13 LEU HA 1.0 0.0 4.21 215 193 A 17 GLU H A 13 LEU HA 1.0 0.0 4.63 216 194 B 33 ASN H B 32 VAL H 1.0 0.0 5.27 217 195 B 48 VAL H B 46 TYR H 1.0 0.0 5.50 218 196 B 56 TYR H B 56 TYR HBx 1.0 0.0 3.11 219 196 B 56 TYR H B 56 TYR HBy 1.0 0.0 3.11 220 197 B 55 PHE HD% B 55 PHE HA 1.0 0.0 3.58 221 198 B 43 GLU H B 41 LEU H 1.0 0.0 4.93 222 199 B 56 TYR H B 55 PHE HD% 1.0 0.0 5.18 223 200 B 55 PHE HA B 55 PHE HE% 1.0 0.0 4.65 224 201 B 56 TYR H B 55 PHE HA 1.0 0.0 3.16 225 202 B 57 THR H B 56 TYR HA 1.0 0.0 3.04 226 203 B 56 TYR H B 56 TYR HD% 1.0 0.0 4.55 227 204 B 57 THR H B 56 TYR HBx 1.0 0.0 4.03 228 204 B 57 THR H B 56 TYR HBy 1.0 0.0 4.03 229 205 B 56 TYR HA B 56 TYR HD% 1.0 0.0 3.61 230 206 B 56 TYR HA B 56 TYR HE% 1.0 0.0 4.67 231 207 A 2 ILE HD1% A 19 TYR HD% 1.0 0.0 4.21 232 208 A 19 TYR HD% B 45 LEU HDx% 1.0 0.0 4.68 233 209 A 2 ILE HG2% A 19 TYR HD% 1.0 0.0 4.47 234 210 A 19 TYR HD% A 16 LEU HDy% 1.0 0.0 4.98 235 211 A 19 TYR HD% B 45 LEU HDy% 1.0 0.0 4.68 236 212 A 19 TYR HD% A 16 LEU HDx% 1.0 0.0 4.98 237 213 B 57 THR H B 57 THR HG2% 1.0 0.0 4.02 238 214 A 10 ILE H A 10 ILE HG1x 1.0 0.0 4.77 239 215 B 57 THR H B 56 TYR H 1.0 0.0 4.39 240 216 B 58 PRO HA B 59 LYS H 1.0 0.0 2.90 241 217 B 59 LYS H B 60 THR H 1.0 0.0 4.37 242 218 B 59 LYS H B 58 PRO HGx 1.0 0.0 4.74 243 218 B 59 LYS H B 58 PRO HGy 1.0 0.0 4.74 244 219 B 60 THR H B 59 LYS HA 1.0 0.0 3.52 245 220 B 60 THR H B 60 THR HB 1.0 0.0 4.05 246 221 B 40 HIS H B 41 LEU H 1.0 0.0 3.97 247 222 B 60 THR H B 59 LYS HBx 1.0 0.0 4.74 248 223 B 60 THR H B 59 LYS HBy 1.0 0.0 4.74 249 224 B 33 ASN HD2y B 33 ASN HBx 1.0 0.0 3.75 250 224 B 33 ASN HBy B 33 ASN HD2y 1.0 0.0 3.75 251 225 B 45 LEU HG B 54 PHE HE% 1.0 0.0 4.64 252 226 A 2 ILE HD1% A 19 TYR HE% 1.0 0.0 4.44 253 227 A 2 ILE HG2% A 19 TYR HE% 1.0 0.0 4.33 254 228 A 19 TYR HE% A 2 ILE HG1x 1.0 0.0 4.50 255 229 A 19 TYR HE% A 2 ILE HG1y 1.0 0.0 4.50 256 230 B 56 TYR HE% B 58 PRO HGx 1.0 0.0 5.50 257 230 B 56 TYR HE% B 58 PRO HGy 1.0 0.0 5.50 258 231 B 33 ASN HD2x B 33 ASN HBx 1.0 0.0 3.75 259 231 B 33 ASN HBy B 33 ASN HD2x 1.0 0.0 3.75 260 232 A 19 TYR HE% A 2 ILE HA 1.0 0.0 4.15 261 233 B 47 LEU HA B 46 TYR HE% 1.0 0.0 4.56 262 234 A 14 TYR HA A 14 TYR HE% 1.0 0.0 4.72 263 235 A 19 TYR HE% A 16 LEU HA 1.0 0.0 4.07 264 236 B 56 TYR HE% B 58 PRO HA 1.0 0.0 4.67 265 237 B 56 TYR HE% B 57 THR HA 1.0 0.0 5.50 266 238 A 19 TYR HE% A 19 TYR HA 1.0 0.0 4.96 267 239 B 57 THR H B 56 TYR HE% 1.0 0.0 4.95 268 240 B 57 THR H B 56 TYR HD% 1.0 0.0 4.37 269 241 B 44 ALA H B 41 LEU H 1.0 0.0 5.50 270 242 B 54 PHE H B 54 PHE HE% 1.0 0.0 5.50 271 243 B 40 HIS HD2 B 40 HIS H 1.0 0.0 4.26 272 244 A 19 TYR HD% A 20 CYS H 1.0 0.0 4.77 273 245 A 19 TYR H A 18 ASN HBy 1.0 0.0 4.35 274 246 B 31 PHE HE% B 48 VAL HGy% 1.0 0.0 4.82 275 247 B 31 PHE HE% B 48 VAL HGx% 1.0 0.0 4.82 276 248 B 33 ASN HA B 31 PHE HE% 1.0 0.0 4.33 277 249 B 35 HIS HD2 B 34 GLN HA 1.0 0.0 5.31 278 250 B 35 HIS HD2 B 35 HIS HA 1.0 0.0 5.50 279 251 B 56 TYR HE% B 58 PRO HDx 1.0 0.0 4.64 280 251 B 56 TYR HE% B 58 PRO HDy 1.0 0.0 4.64 281 252 A 19 TYR HD% A 19 TYR HA 1.0 0.0 3.37 282 253 B 49 CYS HA B 48 VAL HGy% 1.0 0.0 5.46 283 254 B 49 CYS HA B 48 VAL HGx% 1.0 0.0 5.46 284 255 A 10 ILE HG2% A 10 ILE HA 1.0 0.0 3.72 285 256 A 10 ILE HD1% A 10 ILE HA 1.0 0.0 4.10 286 257 A 10 ILE HG2% B 34 GLN HA 1.0 0.0 5.17 287 258 A 10 ILE HG2% B 35 HIS HA 1.0 0.0 4.99 288 259 A 10 ILE HD1% B 34 GLN HA 1.0 0.0 4.46 289 260 A 10 ILE HD1% B 35 HIS HA 1.0 0.0 4.93 290 261 A 10 ILE HG2% B 33 ASN HA 1.0 0.0 4.43 291 262 B 36 LEU HA B 36 LEU HDx% 1.0 0.0 3.37 292 262 B 36 LEU HDy% B 36 LEU HA 1.0 0.0 3.37 293 263 B 44 ALA HB% B 41 LEU HA 1.0 0.0 3.81 294 264 B 41 LEU HA B 36 LEU HDx% 1.0 0.0 3.60 295 264 B 36 LEU HDy% B 41 LEU HA 1.0 0.0 3.60 296 265 B 41 LEU HA B 41 LEU HDx% 1.0 0.0 4.04 297 266 B 57 THR HG2% B 57 THR HA 1.0 0.0 3.47 298 267 A 17 GLU HA B 48 VAL HGx% 1.0 0.0 4.67 299 268 B 45 LEU HA B 48 VAL HGx% 1.0 0.0 4.62 300 269 B 48 VAL HA B 48 VAL HGx% 1.0 0.0 3.30 301 270 A 8 THR HG2% A 8 THR HA 1.0 0.0 3.36 302 271 A 16 LEU HG A 16 LEU HA 1.0 0.0 4.21 303 272 B 47 LEU HA B 47 LEU HG 1.0 0.0 4.21 304 273 B 41 LEU HA B 36 LEU HBx 1.0 0.0 4.50 305 274 B 41 LEU HA B 41 LEU HDy% 1.0 0.0 4.04 306 275 B 32 VAL HA B 32 VAL HGx% 1.0 0.0 3.24 307 275 B 32 VAL HGy% B 32 VAL HA 1.0 0.0 3.24 308 276 A 17 GLU HA B 48 VAL HGy% 1.0 0.0 4.67 309 277 B 44 ALA HA B 47 LEU HDx% 1.0 0.0 3.10 310 277 B 47 LEU HDy% B 44 ALA HA 1.0 0.0 3.10 311 278 B 47 LEU HA B 47 LEU HDx% 1.0 0.0 3.58 312 278 B 47 LEU HA B 47 LEU HDy% 1.0 0.0 3.58 313 279 B 45 LEU HA B 45 LEU HDx% 1.0 0.0 4.06 314 280 B 45 LEU HA B 45 LEU HDy% 1.0 0.0 4.06 315 281 B 48 VAL HA B 48 VAL HGy% 1.0 0.0 3.30 316 282 A 13 LEU HA A 13 LEU HDy% 1.0 0.0 3.97 317 283 A 13 LEU HA A 16 LEU HBy 1.0 0.0 4.52 318 284 A 3 VAL HA A 3 VAL HGx% 1.0 0.0 3.70 319 285 A 3 VAL HA A 3 VAL HGy% 1.0 0.0 3.70 320 286 A 2 ILE HG2% A 3 VAL HA 1.0 0.0 4.31 321 287 B 57 THR HG2% B 58 PRO HDx 1.0 0.0 4.75 322 287 B 57 THR HG2% B 58 PRO HDy 1.0 0.0 4.75 323 288 B 36 LEU HDy% B 40 HIS HBy 1.0 0.0 4.36 324 288 B 40 HIS HBy B 36 LEU HDx% 1.0 0.0 4.36 325 289 B 42 VAL HA B 42 VAL HGx% 1.0 0.0 3.49 326 290 B 42 VAL HA B 42 VAL HGy% 1.0 0.0 3.49 327 291 B 36 LEU HDy% B 40 HIS HBx 1.0 0.0 4.36 328 291 B 36 LEU HDx% B 40 HIS HBx 1.0 0.0 4.36 329 292 A 2 ILE HD1% A 19 TYR HBy 1.0 0.0 4.76 330 293 B 45 LEU HDy% A 19 TYR HBy 1.0 0.0 5.66 331 294 B 41 LEU HDy% A 6 CYS HBx 1.0 0.0 4.64 332 295 A 6 CYS HBx B 41 LEU HDx% 1.0 0.0 4.64 333 296 B 46 TYR HBy B 47 LEU HDx% 1.0 0.0 4.17 334 296 B 46 TYR HBx B 47 LEU HDx% 1.0 0.0 4.17 335 296 B 47 LEU HDy% B 46 TYR HBx 1.0 0.0 4.17 336 296 B 47 LEU HDy% B 46 TYR HBy 1.0 0.0 4.17 337 297 A 19 TYR HBx B 45 LEU HDx% 1.0 0.0 5.66 338 298 B 45 LEU HDy% A 19 TYR HBx 1.0 0.0 5.66 339 299 B 41 LEU HDy% A 6 CYS HBy 1.0 0.0 4.64 340 300 A 10 ILE HG2% B 33 ASN HBx 1.0 0.0 3.44 341 300 A 10 ILE HG2% B 33 ASN HBy 1.0 0.0 3.44 342 301 A 10 ILE HD1% B 33 ASN HBx 1.0 0.0 4.40 343 301 A 10 ILE HD1% B 33 ASN HBy 1.0 0.0 4.40 344 302 B 43 GLU HGx B 47 LEU HDx% 1.0 0.0 4.16 345 302 B 43 GLU HGy B 47 LEU HDx% 1.0 0.0 4.16 346 302 B 47 LEU HDy% B 43 GLU HGx 1.0 0.0 4.16 347 302 B 47 LEU HDy% B 43 GLU HGy 1.0 0.0 4.16 348 303 B 36 LEU HDy% B 34 GLN HGx 1.0 0.0 4.66 349 303 B 34 GLN HGx B 36 LEU HDx% 1.0 0.0 4.66 350 304 B 59 LYS HDy B 59 LYS HGx 1.0 0.0 2.96 351 304 B 59 LYS HDx B 59 LYS HGx 1.0 0.0 2.96 352 304 B 59 LYS HGy B 59 LYS HDx 1.0 0.0 2.96 353 304 B 59 LYS HGy B 59 LYS HDy 1.0 0.0 2.96 354 305 B 47 LEU HDy% B 47 LEU HBy 1.0 0.0 3.78 355 305 B 47 LEU HBy B 47 LEU HDx% 1.0 0.0 3.78 356 306 B 41 LEU HBy B 41 LEU HDy% 1.0 0.0 4.03 357 307 B 41 LEU HBy B 41 LEU HDx% 1.0 0.0 4.03 358 308 A 10 ILE HD1% A 10 ILE HB 1.0 0.0 3.71 359 309 B 45 LEU HBx B 45 LEU HDy% 1.0 0.0 4.13 360 310 B 59 LYS HDy B 59 LYS HBx 1.0 0.0 3.77 361 310 B 59 LYS HBx B 59 LYS HDx 1.0 0.0 3.77 362 311 B 45 LEU HBx A 16 LEU HDy% 1.0 0.0 3.87 363 312 B 45 LEU HBx A 16 LEU HDx% 1.0 0.0 3.87 364 313 B 45 LEU HBx B 45 LEU HDx% 1.0 0.0 4.13 365 314 B 44 ALA HB% A 16 LEU HDx% 1.0 0.0 4.33 366 315 B 41 LEU HBx B 41 LEU HDy% 1.0 0.0 4.03 367 316 B 41 LEU HBx B 41 LEU HDx% 1.0 0.0 4.03 368 317 A 10 ILE HD1% A 10 ILE HG2% 1.0 0.0 3.16 369 318 B 59 LYS HDy B 59 LYS HBy 1.0 0.0 3.77 370 318 B 59 LYS HBy B 59 LYS HDx 1.0 0.0 3.77 371 319 B 43 GLU HA B 46 TYR HBx 1.0 0.0 3.43 372 319 B 43 GLU HA B 46 TYR HBy 1.0 0.0 3.43 373 320 B 43 GLU HA B 43 GLU HGx 1.0 0.0 3.79 374 320 B 43 GLU HGy B 43 GLU HA 1.0 0.0 3.79 375 321 A 15 GLN HA A 15 GLN HGx 1.0 0.0 4.21 376 322 B 52 GLN HA B 52 GLN HGx 1.0 0.0 3.59 377 322 B 52 GLN HGy B 52 GLN HA 1.0 0.0 3.59 378 323 A 17 GLU HA A 17 GLU HGx 1.0 0.0 4.05 379 324 B 51 GLU HA B 50 GLY HAx 1.0 0.0 4.25 380 324 B 50 GLY HAy B 51 GLU HA 1.0 0.0 4.25 381 325 A 3 VAL H A 4 GLU H 1.0 0.0 4.14 382 326 B 45 LEU HBy B 43 GLU H 1.0 0.0 5.50 383 327 B 45 LEU HBx B 43 GLU H 1.0 0.0 5.50 384 328 B 31 PHE HZ B 32 VAL HGx% 1.0 0.0 5.28 385 328 B 32 VAL HGy% B 31 PHE HZ 1.0 0.0 5.28 386 329 B 45 LEU HBy B 54 PHE HE% 1.0 0.0 4.92 387 330 B 45 LEU HBx B 54 PHE HE% 1.0 0.0 4.92 388 331 B 41 LEU H B 41 LEU HDx% 1.0 0.0 5.50 389 332 B 41 LEU H B 41 LEU HDy% 1.0 0.0 5.50 390 333 B 41 LEU H B 36 LEU HDx% 1.0 0.0 5.24 391 333 B 36 LEU HDy% B 41 LEU H 1.0 0.0 5.24 392 334 B 54 PHE HE% B 45 LEU HDx% 1.0 0.0 5.50 393 335 B 54 PHE HD% B 42 VAL HGy% 1.0 0.0 5.43 394 336 B 45 LEU HBy B 54 PHE HD% 1.0 0.0 4.89 395 337 A 16 LEU HG A 19 TYR HE% 1.0 0.0 5.48 396 338 B 42 VAL HB B 54 PHE HE% 1.0 0.0 5.10 397 339 B 42 VAL HA B 54 PHE HE% 1.0 0.0 4.95 398 340 B 54 PHE HD% B 42 VAL HGx% 1.0 0.0 5.43 399 341 B 46 TYR HA B 54 PHE HD% 1.0 0.0 4.92 400 342 B 45 LEU HA B 54 PHE HE% 1.0 0.0 5.50 401 343 A 14 TYR HD% A 15 GLN HA 1.0 0.0 4.57 402 344 B 34 GLN H B 32 VAL HGx% 1.0 0.0 4.89 403 344 B 34 GLN H B 32 VAL HGy% 1.0 0.0 4.89 404 345 B 34 GLN H B 36 LEU HDx% 1.0 0.0 4.82 405 345 B 34 GLN H B 36 LEU HDy% 1.0 0.0 4.82 406 346 A 15 GLN HA A 18 ASN HBx 1.0 0.0 4.88 407 347 B 32 VAL HA B 33 ASN HBx 1.0 0.0 4.61 408 347 B 32 VAL HA B 33 ASN HBy 1.0 0.0 4.61 409 348 A 17 GLU HA A 17 GLU HGy 1.0 0.0 4.05 410 349 B 40 HIS HA B 43 GLU HBy 1.0 0.0 4.33 411 350 B 57 THR HA B 58 PRO HGx 1.0 0.0 4.73 412 350 B 58 PRO HGy B 57 THR HA 1.0 0.0 4.73 413 351 B 41 LEU HA B 36 LEU HBy 1.0 0.0 4.50 414 352 A 8 THR HG2% A 4 GLU HA 1.0 0.0 4.55 415 353 B 45 LEU HA B 48 VAL HGy% 1.0 0.0 4.62 416 354 A 8 THR HG2% A 4 GLU HGx 1.0 0.0 5.24 417 354 A 4 GLU HGy A 8 THR HG2% 1.0 0.0 5.24 418 355 B 47 LEU HDy% B 47 LEU HBx 1.0 0.0 3.78 419 355 B 47 LEU HBx B 47 LEU HDx% 1.0 0.0 3.78 420 356 B 57 THR HA B 58 PRO HDx 1.0 0.0 3.27 421 356 B 57 THR HA B 58 PRO HDy 1.0 0.0 3.27 422 357 A 2 ILE H A 2 ILE HG1y 1.0 0.0 4.71 423 358 B 35 HIS H B 34 GLN HGy 1.0 0.0 5.09 424 359 B 35 HIS H B 35 HIS HBx 1.0 0.0 4.10 425 360 B 40 HIS HA B 43 GLU HBx 1.0 0.0 4.33 426 361 B 46 TYR HA B 45 LEU HBy 1.0 0.0 4.73 427 362 B 45 LEU HBy B 42 VAL HA 1.0 0.0 4.56 428 363 A 15 GLN HA A 15 GLN HGy 1.0 0.0 4.21 429 364 B 48 VAL H B 44 ALA HA 1.0 0.0 5.19 430 365 A 13 LEU H A 12 SER HBx 1.0 0.0 4.00 431 366 B 34 GLN H B 33 ASN HBx 1.0 0.0 3.94 432 366 B 34 GLN H B 33 ASN HBy 1.0 0.0 3.94 433 367 A 15 GLN HA A 18 ASN HBy 1.0 0.0 4.88 434 368 A 18 ASN H A 18 ASN HBx 1.0 0.0 3.77 435 369 A 17 GLU H A 18 ASN H 1.0 0.0 3.65 436 370 A 13 LEU HA A 16 LEU HBx 1.0 0.0 4.52 437 371 B 49 CYS H B 45 LEU HA 1.0 0.0 4.12 438 372 B 40 HIS H B 40 HIS HBx 1.0 0.0 3.84 439 373 B 47 LEU H B 46 TYR HBx 1.0 0.0 3.77 440 373 B 47 LEU H B 46 TYR HBy 1.0 0.0 3.77 441 374 B 42 VAL H B 41 LEU HG 1.0 0.0 5.50 442 375 B 45 LEU HA B 48 VAL HB 1.0 0.0 4.77 443 376 A 13 LEU HA A 16 LEU HDx% 1.0 0.0 4.50 444 377 A 13 LEU HA A 13 LEU HDx% 1.0 0.0 3.97 445 378 A 13 LEU HA A 16 LEU HDy% 1.0 0.0 4.50 446 379 B 31 PHE HBy A 13 LEU HDy% 1.0 0.0 4.79 447 379 A 13 LEU HDy% B 31 PHE HBx 1.0 0.0 4.79 448 380 B 31 PHE HBy A 13 LEU HDx% 1.0 0.0 4.79 449 380 A 13 LEU HDx% B 31 PHE HBx 1.0 0.0 4.79 450 381 B 31 PHE HBx B 32 VAL HGx% 1.0 0.0 4.81 451 381 B 31 PHE HBy B 32 VAL HGx% 1.0 0.0 4.81 452 381 B 32 VAL HGy% B 31 PHE HBx 1.0 0.0 4.81 453 381 B 32 VAL HGy% B 31 PHE HBy 1.0 0.0 4.81 454 382 A 2 ILE HD1% A 19 TYR HBx 1.0 0.0 4.76 455 383 A 6 CYS HBy B 41 LEU HDx% 1.0 0.0 4.64 456 384 B 32 VAL HGy% B 33 ASN HBx 1.0 0.0 4.64 457 384 B 32 VAL HGx% B 33 ASN HBx 1.0 0.0 4.64 458 384 B 33 ASN HBy B 32 VAL HGx% 1.0 0.0 4.64 459 384 B 32 VAL HGy% B 33 ASN HBy 1.0 0.0 4.64 460 385 B 36 LEU HDy% B 34 GLN HGy 1.0 0.0 4.66 461 385 B 34 GLN HGy B 36 LEU HDx% 1.0 0.0 4.66 462 386 B 44 ALA HB% B 36 LEU HDx% 1.0 0.0 3.48 463 386 B 36 LEU HDy% B 44 ALA HB% 1.0 0.0 3.48 464 387 B 44 ALA HB% B 47 LEU HDx% 1.0 0.0 3.29 465 387 B 47 LEU HDy% B 44 ALA HB% 1.0 0.0 3.29 466 388 B 44 ALA HB% A 16 LEU HDy% 1.0 0.0 4.33 467 389 A 2 ILE HG2% A 2 ILE HD1% 1.0 0.0 3.87 468 390 A 5 GLN H A 5 GLN HBx 1.0 0.0 3.85 469 390 A 5 GLN H A 5 GLN HBy 1.0 0.0 3.85 470 391 B 37 CYS H B 40 HIS H 1.0 0.0 4.91 471 392 B 31 PHE HD% B 33 ASN HA 1.0 0.0 4.79 472 393 B 33 ASN HA B 31 PHE HZ 1.0 0.0 5.14 473 394 A 2 ILE HG2% B 45 LEU HDx% 1.0 0.0 5.01 474 394 A 2 ILE HG2% B 45 LEU HDy% 1.0 0.0 5.01 475 395 A 3 VAL H A 2 ILE HG1y 1.0 0.0 5.09 476 395 A 3 VAL H A 2 ILE HG1x 1.0 0.0 5.09 477 396 A 3 VAL HA A 2 ILE HG1y 1.0 0.0 4.48 478 396 A 3 VAL HA A 2 ILE HG1x 1.0 0.0 4.48 479 397 A 19 TYR HD% A 2 ILE HG1y 1.0 0.0 5.29 480 397 A 19 TYR HD% A 2 ILE HG1x 1.0 0.0 5.29 481 398 A 19 TYR HE% A 2 ILE HG1y 1.0 0.0 3.93 482 398 A 19 TYR HE% A 2 ILE HG1x 1.0 0.0 3.93 483 399 A 3 VAL H A 3 VAL HGy% 1.0 0.0 3.09 484 399 A 3 VAL H A 3 VAL HGx% 1.0 0.0 3.09 485 400 A 3 VAL HGx% A 7 CYS HBx 1.0 0.0 4.28 486 400 A 3 VAL HGy% A 7 CYS HBx 1.0 0.0 4.28 487 400 A 7 CYS HBy A 3 VAL HGy% 1.0 0.0 4.28 488 400 A 3 VAL HGx% A 7 CYS HBy 1.0 0.0 4.28 489 401 A 6 CYS H B 41 LEU HDx% 1.0 0.0 5.44 490 401 A 6 CYS H B 41 LEU HDy% 1.0 0.0 5.44 491 402 A 7 CYS H A 6 CYS HBy 1.0 0.0 4.46 492 402 A 7 CYS H A 6 CYS HBx 1.0 0.0 4.46 493 403 A 6 CYS HBy B 41 LEU HDx% 1.0 0.0 3.53 494 403 A 6 CYS HBx B 41 LEU HDx% 1.0 0.0 3.53 495 403 B 41 LEU HDy% A 6 CYS HBy 1.0 0.0 3.53 496 403 B 41 LEU HDy% A 6 CYS HBx 1.0 0.0 3.53 497 404 A 7 CYS H B 41 LEU HDx% 1.0 0.0 5.44 498 404 A 7 CYS H B 41 LEU HDy% 1.0 0.0 5.44 499 405 A 7 CYS HBx B 41 LEU HDx% 1.0 0.0 5.28 500 405 A 7 CYS HBy B 41 LEU HDx% 1.0 0.0 5.28 501 405 B 41 LEU HDy% A 7 CYS HBx 1.0 0.0 5.28 502 405 A 7 CYS HBy B 41 LEU HDy% 1.0 0.0 5.28 503 406 A 10 ILE H A 9 SER HBy 1.0 0.0 4.01 504 406 A 10 ILE H A 9 SER HBx 1.0 0.0 4.01 505 407 A 10 ILE H A 10 ILE HG1y 1.0 0.0 4.10 506 407 A 10 ILE H A 10 ILE HG1x 1.0 0.0 4.10 507 408 B 35 HIS HE1 A 10 ILE HG1y 1.0 0.0 4.23 508 408 B 35 HIS HE1 A 10 ILE HG1x 1.0 0.0 4.23 509 409 A 10 ILE HD1% B 35 HIS HBx 1.0 0.0 5.09 510 409 A 10 ILE HD1% B 35 HIS HBy 1.0 0.0 5.09 511 410 A 12 SER H A 11 CYS HBx 1.0 0.0 4.34 512 410 A 12 SER H A 11 CYS HBy 1.0 0.0 4.34 513 411 A 12 SER H A 12 SER HBx 1.0 0.0 3.65 514 411 A 12 SER H A 12 SER HBy 1.0 0.0 3.65 515 412 A 12 SER H A 15 GLN HBx 1.0 0.0 4.44 516 412 A 12 SER H A 15 GLN HBy 1.0 0.0 4.44 517 413 A 12 SER HA A 13 LEU HBx 1.0 0.0 4.71 518 413 A 12 SER HA A 13 LEU HBy 1.0 0.0 4.71 519 414 A 13 LEU H A 12 SER HBx 1.0 0.0 3.48 520 414 A 13 LEU H A 12 SER HBy 1.0 0.0 3.48 521 415 A 14 TYR H A 12 SER HBx 1.0 0.0 4.27 522 415 A 14 TYR H A 12 SER HBy 1.0 0.0 4.27 523 416 A 14 TYR HD% A 12 SER HBx 1.0 0.0 4.88 524 416 A 14 TYR HD% A 12 SER HBy 1.0 0.0 4.88 525 417 A 13 LEU H A 13 LEU HBx 1.0 0.0 3.14 526 417 A 13 LEU H A 13 LEU HBy 1.0 0.0 3.14 527 418 A 13 LEU HA A 13 LEU HDx% 1.0 0.0 3.49 528 418 A 13 LEU HA A 13 LEU HDy% 1.0 0.0 3.49 529 419 A 13 LEU HA A 16 LEU HBx 1.0 0.0 3.98 530 419 A 13 LEU HA A 16 LEU HBy 1.0 0.0 3.98 531 420 A 13 LEU HA A 16 LEU HDx% 1.0 0.0 3.83 532 420 A 13 LEU HA A 16 LEU HDy% 1.0 0.0 3.83 533 421 A 14 TYR H A 13 LEU HBx 1.0 0.0 4.13 534 421 A 14 TYR H A 13 LEU HBy 1.0 0.0 4.13 535 422 B 31 PHE HD% A 13 LEU HBx 1.0 0.0 5.03 536 422 B 31 PHE HD% A 13 LEU HBy 1.0 0.0 5.03 537 423 A 14 TYR H A 13 LEU HDx% 1.0 0.0 5.07 538 423 A 14 TYR H A 13 LEU HDy% 1.0 0.0 5.07 539 424 B 31 PHE HD% A 13 LEU HDx% 1.0 0.0 4.14 540 424 B 31 PHE HD% A 13 LEU HDy% 1.0 0.0 4.14 541 425 B 31 PHE HE% A 13 LEU HDx% 1.0 0.0 5.28 542 425 B 31 PHE HE% A 13 LEU HDy% 1.0 0.0 5.28 543 426 A 14 TYR HA A 17 GLU HBy 1.0 0.0 4.56 544 426 A 14 TYR HA A 17 GLU HBx 1.0 0.0 4.56 545 427 A 15 GLN H A 14 TYR HBy 1.0 0.0 3.96 546 427 A 15 GLN H A 14 TYR HBx 1.0 0.0 3.96 547 428 A 14 TYR HD% A 15 GLN HBx 1.0 0.0 4.31 548 428 A 14 TYR HD% A 15 GLN HBy 1.0 0.0 4.31 549 429 A 15 GLN H A 15 GLN HBx 1.0 0.0 3.41 550 429 A 15 GLN H A 15 GLN HBy 1.0 0.0 3.41 551 430 A 15 GLN H A 15 GLN HGx 1.0 0.0 4.74 552 430 A 15 GLN H A 15 GLN HGy 1.0 0.0 4.74 553 431 A 15 GLN HA A 15 GLN HGx 1.0 0.0 3.63 554 431 A 15 GLN HA A 15 GLN HGy 1.0 0.0 3.63 555 432 A 15 GLN HA A 18 ASN HBy 1.0 0.0 4.22 556 432 A 15 GLN HA A 18 ASN HBx 1.0 0.0 4.22 557 433 A 15 GLN HA A 18 ASN HD2x 1.0 0.0 5.25 558 433 A 15 GLN HA A 18 ASN HD2y 1.0 0.0 5.25 559 434 A 15 GLN HBy A 15 GLN HE2y 1.0 0.0 4.26 560 434 A 15 GLN HBx A 15 GLN HE2y 1.0 0.0 4.26 561 434 A 15 GLN HE2x A 15 GLN HBx 1.0 0.0 4.26 562 434 A 15 GLN HBy A 15 GLN HE2x 1.0 0.0 4.26 563 435 A 16 LEU H A 15 GLN HBx 1.0 0.0 3.52 564 435 A 16 LEU H A 15 GLN HBy 1.0 0.0 3.52 565 436 A 19 TYR HE% A 15 GLN HBx 1.0 0.0 4.56 566 436 A 19 TYR HE% A 15 GLN HBy 1.0 0.0 4.56 567 437 A 19 TYR HE% A 15 GLN HGx 1.0 0.0 4.78 568 437 A 19 TYR HE% A 15 GLN HGy 1.0 0.0 4.78 569 438 A 16 LEU H A 16 LEU HBx 1.0 0.0 3.41 570 438 A 16 LEU H A 16 LEU HBy 1.0 0.0 3.41 571 439 A 16 LEU HA A 16 LEU HDx% 1.0 0.0 3.45 572 439 A 16 LEU HA A 16 LEU HDy% 1.0 0.0 3.45 573 440 A 16 LEU HA B 45 LEU HDx% 1.0 0.0 4.10 574 440 A 16 LEU HA B 45 LEU HDy% 1.0 0.0 4.10 575 441 A 17 GLU H A 16 LEU HBx 1.0 0.0 4.30 576 441 A 17 GLU H A 16 LEU HBy 1.0 0.0 4.30 577 442 A 19 TYR HE% A 16 LEU HBx 1.0 0.0 5.34 578 442 A 19 TYR HE% A 16 LEU HBy 1.0 0.0 5.34 579 443 A 16 LEU HBx B 48 VAL HGy% 1.0 0.0 4.21 580 443 A 16 LEU HBy B 48 VAL HGy% 1.0 0.0 4.21 581 443 B 48 VAL HGx% A 16 LEU HBx 1.0 0.0 4.21 582 443 A 16 LEU HBy B 48 VAL HGx% 1.0 0.0 4.21 583 444 A 16 LEU HG B 45 LEU HDx% 1.0 0.0 4.10 584 444 A 16 LEU HG B 45 LEU HDy% 1.0 0.0 4.10 585 445 A 16 LEU HG B 48 VAL HGy% 1.0 0.0 4.56 586 445 A 16 LEU HG B 48 VAL HGx% 1.0 0.0 4.56 587 446 A 19 TYR H A 16 LEU HDx% 1.0 0.0 5.07 588 446 A 19 TYR H A 16 LEU HDy% 1.0 0.0 5.07 589 447 A 19 TYR HD% A 16 LEU HDx% 1.0 0.0 4.28 590 447 A 19 TYR HD% A 16 LEU HDy% 1.0 0.0 4.28 591 448 A 19 TYR HE% A 16 LEU HDx% 1.0 0.0 5.13 592 448 A 19 TYR HE% A 16 LEU HDy% 1.0 0.0 5.13 593 449 B 31 PHE HE% A 16 LEU HDx% 1.0 0.0 5.44 594 449 B 31 PHE HE% A 16 LEU HDy% 1.0 0.0 5.44 595 450 B 44 ALA HB% A 16 LEU HDx% 1.0 0.0 3.34 596 450 B 44 ALA HB% A 16 LEU HDy% 1.0 0.0 3.34 597 451 B 45 LEU HA A 16 LEU HDx% 1.0 0.0 4.32 598 451 B 45 LEU HA A 16 LEU HDy% 1.0 0.0 4.32 599 452 B 45 LEU HG A 16 LEU HDx% 1.0 0.0 4.01 600 452 B 45 LEU HG A 16 LEU HDy% 1.0 0.0 4.01 601 453 A 16 LEU HDx% B 45 LEU HDx% 1.0 0.0 5.01 602 453 B 45 LEU HDy% A 16 LEU HDx% 1.0 0.0 5.01 603 453 B 45 LEU HDy% A 16 LEU HDy% 1.0 0.0 5.01 604 453 A 16 LEU HDy% B 45 LEU HDx% 1.0 0.0 5.01 605 454 A 16 LEU HDy% B 48 VAL HGy% 1.0 0.0 3.54 606 454 A 16 LEU HDx% B 48 VAL HGy% 1.0 0.0 3.54 607 454 B 48 VAL HGx% A 16 LEU HDx% 1.0 0.0 3.54 608 454 A 16 LEU HDy% B 48 VAL HGx% 1.0 0.0 3.54 609 455 A 17 GLU H A 17 GLU HBy 1.0 0.0 3.35 610 455 A 17 GLU H A 17 GLU HBx 1.0 0.0 3.35 611 456 A 17 GLU H A 17 GLU HGy 1.0 0.0 3.60 612 456 A 17 GLU H A 17 GLU HGx 1.0 0.0 3.60 613 457 A 17 GLU HA A 17 GLU HGy 1.0 0.0 3.52 614 457 A 17 GLU HA A 17 GLU HGx 1.0 0.0 3.52 615 458 A 17 GLU HA B 48 VAL HGy% 1.0 0.0 3.93 616 458 A 17 GLU HA B 48 VAL HGx% 1.0 0.0 3.93 617 459 A 18 ASN H A 17 GLU HBy 1.0 0.0 4.12 618 459 A 18 ASN H A 17 GLU HBx 1.0 0.0 4.12 619 460 A 18 ASN H A 17 GLU HGy 1.0 0.0 5.12 620 460 A 18 ASN H A 17 GLU HGx 1.0 0.0 5.12 621 461 A 17 GLU HGx B 48 VAL HGy% 1.0 0.0 3.63 622 461 A 17 GLU HGy B 48 VAL HGy% 1.0 0.0 3.63 623 461 B 48 VAL HGx% A 17 GLU HGy 1.0 0.0 3.63 624 461 B 48 VAL HGx% A 17 GLU HGx 1.0 0.0 3.63 625 462 A 18 ASN H A 18 ASN HBy 1.0 0.0 3.28 626 462 A 18 ASN H A 18 ASN HBx 1.0 0.0 3.28 627 463 A 19 TYR HD% A 18 ASN HBy 1.0 0.0 4.54 628 463 A 19 TYR HD% A 18 ASN HBx 1.0 0.0 4.54 629 464 A 19 TYR H A 19 TYR HBy 1.0 0.0 3.25 630 464 A 19 TYR H A 19 TYR HBx 1.0 0.0 3.25 631 465 A 19 TYR HBy B 45 LEU HDx% 1.0 0.0 3.48 632 465 A 19 TYR HBx B 45 LEU HDx% 1.0 0.0 3.48 633 465 B 45 LEU HDy% A 19 TYR HBy 1.0 0.0 3.48 634 465 B 45 LEU HDy% A 19 TYR HBx 1.0 0.0 3.48 635 466 A 19 TYR HBy B 45 LEU HDx% 1.0 0.0 5.66 636 467 A 19 TYR HD% B 45 LEU HDx% 1.0 0.0 3.83 637 467 A 19 TYR HD% B 45 LEU HDy% 1.0 0.0 3.83 638 468 A 19 TYR HE% B 45 LEU HDx% 1.0 0.0 5.04 639 468 A 19 TYR HE% B 45 LEU HDy% 1.0 0.0 5.04 640 469 A 20 CYS H A 20 CYS HBx 1.0 0.0 3.68 641 469 A 20 CYS H A 20 CYS HBy 1.0 0.0 3.68 642 470 A 21 ASN H A 20 CYS HBx 1.0 0.0 4.11 643 470 A 21 ASN H A 20 CYS HBy 1.0 0.0 4.11 644 471 A 21 ASN H A 21 ASN HD2x 1.0 0.0 5.18 645 471 A 21 ASN H A 21 ASN HD2y 1.0 0.0 5.18 646 472 B 31 PHE HD% B 48 VAL HGy% 1.0 0.0 4.77 647 472 B 31 PHE HD% B 48 VAL HGx% 1.0 0.0 4.77 648 473 B 31 PHE HZ B 48 VAL HGy% 1.0 0.0 5.28 649 473 B 31 PHE HZ B 48 VAL HGx% 1.0 0.0 5.28 650 474 B 33 ASN HBy B 33 ASN HD2y 1.0 0.0 3.20 651 474 B 33 ASN HD2x B 33 ASN HBx 1.0 0.0 3.20 652 474 B 33 ASN HD2y B 33 ASN HBx 1.0 0.0 3.20 653 474 B 33 ASN HBy B 33 ASN HD2x 1.0 0.0 3.20 654 475 B 34 GLN H B 34 GLN HGx 1.0 0.0 4.17 655 475 B 34 GLN H B 34 GLN HGy 1.0 0.0 4.17 656 476 B 35 HIS H B 34 GLN HBx 1.0 0.0 3.70 657 476 B 35 HIS H B 34 GLN HBy 1.0 0.0 3.70 658 477 B 35 HIS H B 34 GLN HGx 1.0 0.0 4.37 659 477 B 35 HIS H B 34 GLN HGy 1.0 0.0 4.37 660 478 B 34 GLN HGy B 36 LEU HDx% 1.0 0.0 3.89 661 478 B 34 GLN HGx B 36 LEU HDx% 1.0 0.0 3.89 662 478 B 36 LEU HDy% B 34 GLN HGx 1.0 0.0 3.89 663 478 B 36 LEU HDy% B 34 GLN HGy 1.0 0.0 3.89 664 479 B 35 HIS H B 35 HIS HBx 1.0 0.0 3.58 665 479 B 35 HIS H B 35 HIS HBy 1.0 0.0 3.58 666 480 B 36 LEU HA B 40 HIS HBx 1.0 0.0 4.09 667 480 B 36 LEU HA B 40 HIS HBy 1.0 0.0 4.09 668 481 B 36 LEU HBy B 36 LEU HDx% 1.0 0.0 2.80 669 481 B 36 LEU HBx B 36 LEU HDx% 1.0 0.0 2.80 670 481 B 36 LEU HDy% B 36 LEU HBx 1.0 0.0 2.80 671 481 B 36 LEU HDy% B 36 LEU HBy 1.0 0.0 2.80 672 482 B 37 CYS H B 36 LEU HBx 1.0 0.0 4.22 673 482 B 37 CYS H B 36 LEU HBy 1.0 0.0 4.22 674 483 B 36 LEU HBx B 40 HIS HBx 1.0 0.0 3.93 675 483 B 36 LEU HBy B 40 HIS HBx 1.0 0.0 3.93 676 483 B 40 HIS HBy B 36 LEU HBx 1.0 0.0 3.93 677 483 B 40 HIS HBy B 36 LEU HBy 1.0 0.0 3.93 678 484 B 41 LEU H B 36 LEU HBx 1.0 0.0 4.04 679 484 B 41 LEU H B 36 LEU HBy 1.0 0.0 4.04 680 485 B 41 LEU HA B 36 LEU HBx 1.0 0.0 3.66 681 485 B 41 LEU HA B 36 LEU HBy 1.0 0.0 3.66 682 486 B 36 LEU HDy% B 40 HIS HBx 1.0 0.0 3.65 683 486 B 36 LEU HDx% B 40 HIS HBx 1.0 0.0 3.65 684 486 B 40 HIS HBy B 36 LEU HDx% 1.0 0.0 3.65 685 486 B 36 LEU HDy% B 40 HIS HBy 1.0 0.0 3.65 686 487 B 37 CYS H B 37 CYS HBx 1.0 0.0 3.41 687 487 B 37 CYS H B 37 CYS HBy 1.0 0.0 3.41 688 488 B 37 CYS H B 40 HIS HBx 1.0 0.0 3.80 689 488 B 37 CYS H B 40 HIS HBy 1.0 0.0 3.80 690 489 B 39 SER H B 39 SER HBx 1.0 0.0 3.47 691 489 B 39 SER H B 39 SER HBy 1.0 0.0 3.47 692 490 B 39 SER HA B 39 SER HBx 1.0 0.0 2.61 693 490 B 39 SER HA B 39 SER HBy 1.0 0.0 2.61 694 491 B 39 SER HA B 42 VAL HGy% 1.0 0.0 3.53 695 491 B 39 SER HA B 42 VAL HGx% 1.0 0.0 3.53 696 492 B 40 HIS H B 39 SER HBx 1.0 0.0 3.93 697 492 B 40 HIS H B 39 SER HBy 1.0 0.0 3.93 698 493 B 40 HIS HD2 B 39 SER HBx 1.0 0.0 4.33 699 493 B 40 HIS HD2 B 39 SER HBy 1.0 0.0 4.33 700 494 B 39 SER HBy B 42 VAL HGy% 1.0 0.0 4.34 701 494 B 39 SER HBx B 42 VAL HGy% 1.0 0.0 4.34 702 494 B 42 VAL HGx% B 39 SER HBx 1.0 0.0 4.34 703 494 B 39 SER HBy B 42 VAL HGx% 1.0 0.0 4.34 704 495 B 40 HIS H B 40 HIS HBx 1.0 0.0 3.37 705 495 B 40 HIS H B 40 HIS HBy 1.0 0.0 3.37 706 496 B 40 HIS HA B 43 GLU HBy 1.0 0.0 3.79 707 496 B 40 HIS HA B 43 GLU HBx 1.0 0.0 3.79 708 497 B 41 LEU H B 41 LEU HDx% 1.0 0.0 4.79 709 497 B 41 LEU H B 41 LEU HDy% 1.0 0.0 4.79 710 498 B 41 LEU H B 42 VAL HGy% 1.0 0.0 4.19 711 498 B 41 LEU H B 42 VAL HGx% 1.0 0.0 4.19 712 499 B 41 LEU HA B 41 LEU HDx% 1.0 0.0 3.50 713 499 B 41 LEU HA B 41 LEU HDy% 1.0 0.0 3.50 714 500 B 41 LEU HG B 45 LEU HDx% 1.0 0.0 4.34 715 500 B 41 LEU HG B 45 LEU HDy% 1.0 0.0 4.34 716 501 B 45 LEU HBx B 41 LEU HDx% 1.0 0.0 5.44 717 501 B 45 LEU HBx B 41 LEU HDy% 1.0 0.0 5.44 718 502 B 45 LEU HBy B 41 LEU HDx% 1.0 0.0 5.36 719 502 B 45 LEU HBy B 41 LEU HDy% 1.0 0.0 5.36 720 503 B 41 LEU HDy% B 45 LEU HDx% 1.0 0.0 4.72 721 503 B 41 LEU HDx% B 45 LEU HDx% 1.0 0.0 4.72 722 503 B 45 LEU HDy% B 41 LEU HDx% 1.0 0.0 4.72 723 503 B 45 LEU HDy% B 41 LEU HDy% 1.0 0.0 4.72 724 504 B 42 VAL H B 42 VAL HGy% 1.0 0.0 3.61 725 504 B 42 VAL H B 42 VAL HGx% 1.0 0.0 3.61 726 505 B 42 VAL HA B 42 VAL HGy% 1.0 0.0 3.05 727 505 B 42 VAL HA B 42 VAL HGx% 1.0 0.0 3.05 728 506 B 42 VAL HA B 45 LEU HDx% 1.0 0.0 4.23 729 506 B 42 VAL HA B 45 LEU HDy% 1.0 0.0 4.23 730 507 B 43 GLU H B 42 VAL HGy% 1.0 0.0 3.53 731 507 B 43 GLU H B 42 VAL HGx% 1.0 0.0 3.53 732 508 B 42 VAL HGx% B 45 LEU HDx% 1.0 0.0 4.54 733 508 B 42 VAL HGy% B 45 LEU HDx% 1.0 0.0 4.54 734 508 B 45 LEU HDy% B 42 VAL HGy% 1.0 0.0 4.54 735 508 B 45 LEU HDy% B 42 VAL HGx% 1.0 0.0 4.54 736 509 B 42 VAL HGy% B 54 PHE HBx 1.0 0.0 5.28 737 509 B 54 PHE HBy B 42 VAL HGy% 1.0 0.0 5.28 738 509 B 42 VAL HGx% B 54 PHE HBy 1.0 0.0 5.28 739 509 B 42 VAL HGx% B 54 PHE HBx 1.0 0.0 5.28 740 510 B 54 PHE HD% B 42 VAL HGy% 1.0 0.0 4.52 741 510 B 54 PHE HD% B 42 VAL HGx% 1.0 0.0 4.52 742 511 B 54 PHE HE% B 42 VAL HGy% 1.0 0.0 4.38 743 511 B 54 PHE HE% B 42 VAL HGx% 1.0 0.0 4.38 744 512 B 43 GLU H B 43 GLU HBy 1.0 0.0 3.13 745 512 B 43 GLU H B 43 GLU HBx 1.0 0.0 3.13 746 513 B 44 ALA HA B 47 LEU HBx 1.0 0.0 3.61 747 513 B 44 ALA HA B 47 LEU HBy 1.0 0.0 3.61 748 514 B 44 ALA HA B 48 VAL HGy% 1.0 0.0 4.63 749 514 B 44 ALA HA B 48 VAL HGx% 1.0 0.0 4.63 750 515 B 44 ALA HB% B 48 VAL HGy% 1.0 0.0 4.29 751 515 B 44 ALA HB% B 48 VAL HGx% 1.0 0.0 4.29 752 516 B 45 LEU H B 45 LEU HDx% 1.0 0.0 4.27 753 516 B 45 LEU H B 45 LEU HDy% 1.0 0.0 4.27 754 517 B 45 LEU H B 48 VAL HGy% 1.0 0.0 4.62 755 517 B 45 LEU H B 48 VAL HGx% 1.0 0.0 4.62 756 518 B 45 LEU HA B 45 LEU HDx% 1.0 0.0 3.09 757 518 B 45 LEU HA B 45 LEU HDy% 1.0 0.0 3.09 758 519 B 45 LEU HA B 48 VAL HGy% 1.0 0.0 3.54 759 519 B 45 LEU HA B 48 VAL HGx% 1.0 0.0 3.54 760 520 B 45 LEU HBx B 48 VAL HGy% 1.0 0.0 4.88 761 520 B 45 LEU HBx B 48 VAL HGx% 1.0 0.0 4.88 762 521 B 46 TYR H B 45 LEU HDx% 1.0 0.0 5.17 763 521 B 46 TYR H B 45 LEU HDy% 1.0 0.0 5.17 764 522 B 45 LEU HDy% B 48 VAL HGy% 1.0 0.0 3.90 765 522 B 48 VAL HGx% B 45 LEU HDx% 1.0 0.0 3.90 766 522 B 45 LEU HDy% B 48 VAL HGx% 1.0 0.0 3.90 767 522 B 45 LEU HDx% B 48 VAL HGy% 1.0 0.0 3.90 768 523 B 45 LEU HDx% B 54 PHE HBx 1.0 0.0 5.28 769 523 B 45 LEU HDy% B 54 PHE HBx 1.0 0.0 5.28 770 523 B 54 PHE HBy B 45 LEU HDx% 1.0 0.0 5.28 771 523 B 45 LEU HDy% B 54 PHE HBy 1.0 0.0 5.28 772 524 B 54 PHE HD% B 45 LEU HDx% 1.0 0.0 4.45 773 524 B 54 PHE HD% B 45 LEU HDy% 1.0 0.0 4.45 774 525 B 54 PHE HE% B 45 LEU HDx% 1.0 0.0 4.15 775 525 B 54 PHE HE% B 45 LEU HDy% 1.0 0.0 4.15 776 526 B 46 TYR H B 48 VAL HGy% 1.0 0.0 5.11 777 526 B 46 TYR H B 48 VAL HGx% 1.0 0.0 5.11 778 527 B 47 LEU H B 47 LEU HBx 1.0 0.0 3.65 779 527 B 47 LEU H B 47 LEU HBy 1.0 0.0 3.65 780 528 B 48 VAL H B 47 LEU HBx 1.0 0.0 3.79 781 528 B 48 VAL H B 47 LEU HBy 1.0 0.0 3.79 782 529 B 47 LEU HBy B 48 VAL HGy% 1.0 0.0 4.22 783 529 B 48 VAL HGx% B 47 LEU HBx 1.0 0.0 4.22 784 529 B 48 VAL HGx% B 47 LEU HBy 1.0 0.0 4.22 785 529 B 47 LEU HBx B 48 VAL HGy% 1.0 0.0 4.22 786 530 B 48 VAL H B 48 VAL HGy% 1.0 0.0 3.24 787 530 B 48 VAL H B 48 VAL HGx% 1.0 0.0 3.24 788 531 B 48 VAL HA B 48 VAL HGy% 1.0 0.0 2.86 789 531 B 48 VAL HA B 48 VAL HGx% 1.0 0.0 2.86 790 532 B 49 CYS H B 48 VAL HGy% 1.0 0.0 3.38 791 532 B 49 CYS H B 48 VAL HGx% 1.0 0.0 3.38 792 533 B 49 CYS HA B 48 VAL HGy% 1.0 0.0 4.26 793 533 B 49 CYS HA B 48 VAL HGx% 1.0 0.0 4.26 794 534 B 48 VAL HGy% B 49 CYS HBy 1.0 0.0 5.28 795 534 B 48 VAL HGx% B 49 CYS HBy 1.0 0.0 5.28 796 534 B 49 CYS HBx B 48 VAL HGy% 1.0 0.0 5.28 797 534 B 48 VAL HGx% B 49 CYS HBx 1.0 0.0 5.28 798 535 B 54 PHE HE% B 48 VAL HGy% 1.0 0.0 5.44 799 535 B 54 PHE HE% B 48 VAL HGx% 1.0 0.0 5.44 800 536 B 49 CYS H B 49 CYS HBy 1.0 0.0 3.39 801 536 B 49 CYS H B 49 CYS HBx 1.0 0.0 3.39 802 537 B 50 GLY H B 49 CYS HBy 1.0 0.0 3.71 803 537 B 50 GLY H B 49 CYS HBx 1.0 0.0 3.71 804 538 B 50 GLY HAy B 51 GLU HBy 1.0 0.0 5.26 805 538 B 51 GLU HBx B 50 GLY HAx 1.0 0.0 5.26 806 538 B 50 GLY HAy B 51 GLU HBx 1.0 0.0 5.26 807 538 B 50 GLY HAx B 51 GLU HBy 1.0 0.0 5.26 808 539 B 51 GLU H B 51 GLU HBy 1.0 0.0 3.67 809 539 B 51 GLU H B 51 GLU HBx 1.0 0.0 3.67 810 540 B 51 GLU H B 51 GLU HGy 1.0 0.0 4.38 811 540 B 51 GLU H B 51 GLU HGx 1.0 0.0 4.38 812 541 B 52 GLN H B 51 GLU HBy 1.0 0.0 3.96 813 541 B 52 GLN H B 51 GLU HBx 1.0 0.0 3.96 814 542 B 52 GLN H B 53 GLY HAy 1.0 0.0 4.91 815 542 B 52 GLN H B 53 GLY HAx 1.0 0.0 4.91 816 543 B 54 PHE H B 54 PHE HBx 1.0 0.0 3.61 817 543 B 54 PHE H B 54 PHE HBy 1.0 0.0 3.61 818 544 B 55 PHE H B 55 PHE HBx 1.0 0.0 3.21 819 544 B 55 PHE H B 55 PHE HBy 1.0 0.0 3.21 820 545 B 56 TYR H B 55 PHE HBx 1.0 0.0 4.38 821 545 B 56 TYR H B 55 PHE HBy 1.0 0.0 4.38 822 546 B 59 LYS H B 58 PRO HBy 1.0 0.0 4.09 823 546 B 59 LYS H B 58 PRO HBx 1.0 0.0 4.09 824 547 B 59 LYS H B 59 LYS HBx 1.0 0.0 3.59 825 547 B 59 LYS H B 59 LYS HBy 1.0 0.0 3.59 826 548 A 6 CYS SG A 11 CYS SG 1.0 0.0 2.10 827 549 A 6 CYS SG A 11 CYS CB 1.0 0.0 3.10 828 550 A 11 CYS SG A 6 CYS CB 1.0 0.0 3.10 829 551 A 7 CYS SG B 37 CYS SG 1.0 0.0 2.10 830 552 A 7 CYS SG B 37 CYS CB 1.0 0.0 3.10 831 553 B 37 CYS SG A 7 CYS CB 1.0 0.0 3.10 832 554 A 20 CYS SG B 49 CYS SG 1.0 0.0 2.10 833 555 A 20 CYS SG B 49 CYS CB 1.0 0.0 3.10 834 556 B 49 CYS SG A 20 CYS CB 1.0 0.0 3.10 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 B 54 PHE HE% B 45 LEU HDy% 1.0 0.0 5.0 2 2 B 54 PHE HD% B 45 LEU HDy% 1.0 0.0 5.0 3 3 A 10 ILE HD1% B 35 HIS HE1 1.0 0.0 5.0 4 4 B 35 HIS HE1 A 10 ILE HG2% 1.0 0.0 5.0 5 5 B 35 HIS HE1 A 10 ILE HG1y 1.0 0.0 5.0 6 6 A 7 CYS HA B 36 LEU H 1.0 0.0 5.0 7 7 A 2 ILE H A 19 TYR HE% 1.0 0.0 6.5 8 8 A 3 VAL H A 4 GLU HGx 1.0 0.0 6.0 9 8 A 3 VAL H A 4 GLU HGy 1.0 0.0 6.0 10 9 B 37 CYS H B 40 HIS HBy 1.0 0.0 5.5 11 10 B 37 CYS H B 40 HIS HBx 1.0 0.0 5.5 12 11 B 35 HIS HE1 A 9 SER HA 1.0 0.0 5.0 13 12 B 31 PHE HE% A 13 LEU HDx% 1.0 0.0 5.0 14 13 B 33 ASN HA B 31 PHE HE% 1.0 0.0 5.0 15 14 B 36 LEU HDy% B 40 HIS HBy 1.0 0.0 5.0 16 14 B 40 HIS HBy B 36 LEU HDx% 1.0 0.0 5.0 17 15 A 8 THR HG2% A 7 CYS HA 1.0 0.0 5.0 18 16 B 31 PHE HBy A 13 LEU HDy% 1.0 0.0 6.0 19 16 A 13 LEU HDy% B 31 PHE HBx 1.0 0.0 6.0 20 17 B 31 PHE HBy A 13 LEU HDx% 1.0 0.0 6.0 21 17 A 13 LEU HDx% B 31 PHE HBx 1.0 0.0 6.0 22 18 A 6 CYS SG A 11 CYS SG 1.0 2.0 4.0 23 19 A 6 CYS SG A 11 CYS CB 1.0 3.0 6.0 24 20 A 11 CYS SG A 6 CYS CB 1.0 3.0 6.0 25 21 A 7 CYS SG B 37 CYS SG 1.0 2.0 4.0 26 22 A 7 CYS SG B 37 CYS CB 1.0 3.0 6.0 27 23 B 37 CYS SG A 7 CYS CB 1.0 3.0 6.0 28 24 A 20 CYS SG B 49 CYS SG 1.0 2.0 4.0 29 25 A 20 CYS SG B 49 CYS CB 1.0 3.0 6.0 30 26 B 49 CYS SG A 20 CYS CB 1.0 3.0 6.0 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin 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 B 50 GLY H B 46 TYR O 1.0 0.0 2.0 2 2 B 46 TYR O B 50 GLY N 1.0 0.0 3.0 3 3 B 49 CYS H B 45 LEU O 1.0 0.0 2.0 4 4 B 45 LEU O B 49 CYS N 1.0 0.0 3.0 5 5 B 48 VAL H B 44 ALA O 1.0 0.0 2.0 6 6 B 44 ALA O B 48 VAL N 1.0 0.0 3.0 7 7 B 47 LEU H B 43 GLU O 1.0 0.0 2.0 8 8 B 43 GLU O B 47 LEU N 1.0 0.0 3.0 9 9 B 46 TYR H B 42 VAL O 1.0 0.0 2.0 10 10 B 42 VAL O B 46 TYR N 1.0 0.0 3.0 11 11 B 45 LEU H B 41 LEU O 1.0 0.0 2.0 12 12 B 41 LEU O B 45 LEU N 1.0 0.0 3.0 13 13 B 44 ALA H B 40 HIS O 1.0 0.0 2.0 14 14 B 40 HIS O B 44 ALA N 1.0 0.0 3.0 15 15 B 43 GLU H B 39 SER O 1.0 0.0 2.0 16 16 B 39 SER O B 43 GLU N 1.0 0.0 3.0 17 17 A 20 CYS H A 17 GLU O 1.0 0.0 2.0 18 18 A 17 GLU O A 20 CYS N 1.0 0.0 3.0 19 19 A 19 TYR H A 16 LEU O 1.0 0.0 2.0 20 20 A 16 LEU O A 19 TYR N 1.0 0.0 3.0 21 21 A 18 ASN H A 15 GLN O 1.0 0.0 2.0 22 22 A 15 GLN O A 18 ASN N 1.0 0.0 3.0 23 23 A 17 GLU H A 13 LEU O 1.0 0.0 2.0 24 24 A 13 LEU O A 17 GLU N 1.0 0.0 3.0 25 25 A 16 LEU H A 12 SER O 1.0 0.0 2.0 26 26 A 12 SER O A 16 LEU N 1.0 0.0 3.0 27 27 A 7 CYS H A 3 VAL O 1.0 0.0 2.0 28 28 A 3 VAL O A 7 CYS N 1.0 0.0 3.0 29 29 A 6 CYS H A 2 ILE O 1.0 0.0 2.0 30 30 A 2 ILE O A 6 CYS N 1.0 0.0 3.0 31 31 A 5 GLN H A 1 GLY O 1.0 0.0 2.0 32 32 A 1 GLY O A 5 GLN N 1.0 0.0 3.0 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _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 B 50 GLY H B 46 TYR O 1.0 1.8 3.6 2 2 B 46 TYR O B 50 GLY N 1.0 2.7 5.4 3 3 B 49 CYS H B 45 LEU O 1.0 1.8 3.6 4 4 B 45 LEU O B 49 CYS N 1.0 2.7 5.4 5 5 B 48 VAL H B 44 ALA O 1.0 1.8 3.6 6 6 B 44 ALA O B 48 VAL N 1.0 2.7 5.4 7 7 B 47 LEU H B 43 GLU O 1.0 1.8 3.6 8 8 B 43 GLU O B 47 LEU N 1.0 2.7 5.4 9 9 B 46 TYR H B 42 VAL O 1.0 1.8 3.6 10 10 B 42 VAL O B 46 TYR N 1.0 2.7 5.4 11 11 B 45 LEU H B 41 LEU O 1.0 1.8 3.6 12 12 B 41 LEU O B 45 LEU N 1.0 2.7 5.4 13 13 B 44 ALA H B 40 HIS O 1.0 1.8 3.6 14 14 B 40 HIS O B 44 ALA N 1.0 2.7 5.4 15 15 B 43 GLU H B 39 SER O 1.0 1.8 3.6 16 16 B 39 SER O B 43 GLU N 1.0 2.7 5.4 17 17 A 20 CYS H A 17 GLU O 1.0 1.8 3.6 18 18 A 17 GLU O A 20 CYS N 1.0 2.7 5.4 19 19 A 19 TYR H A 16 LEU O 1.0 1.8 3.6 20 20 A 16 LEU O A 19 TYR N 1.0 2.7 5.4 21 21 A 18 ASN H A 15 GLN O 1.0 1.8 3.6 22 22 A 15 GLN O A 18 ASN N 1.0 2.7 5.4 23 23 A 17 GLU H A 13 LEU O 1.0 1.8 3.6 24 24 A 13 LEU O A 17 GLU N 1.0 2.7 5.4 25 25 A 16 LEU H A 12 SER O 1.0 1.8 3.6 26 26 A 12 SER O A 16 LEU N 1.0 2.7 5.4 27 27 A 7 CYS H A 3 VAL O 1.0 1.8 3.6 28 28 A 3 VAL O A 7 CYS N 1.0 2.7 5.4 29 29 A 6 CYS H A 2 ILE O 1.0 1.8 3.6 30 30 A 2 ILE O A 6 CYS N 1.0 2.7 5.4 31 31 A 5 GLN H A 1 GLY O 1.0 1.8 3.6 32 32 A 1 GLY O A 5 GLN N 1.0 2.7 5.4 stop_ save_