data_c34337_6q8l save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c34337_6q8l _Entry.Title ; Pepducin UT-Pep2 a biased allosteric agonist of Urotensin-II receptor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-12-15 _Entry.Accession_date 2018-12-15 _Entry.Last_release_date 2020-01-07 _Entry.Original_release_date 2020-01-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 2 'SOLUTION NMR' 'SOLUTION NMR' c34337_6q8l stop_ loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 A. Carotenuto A. . . . c34337_6q8l 2 T. Hoang T. A. . . c34337_6q8l 3 H. Nassour H. . . . c34337_6q8l 4 R. Martin R. D. . . c34337_6q8l 5 E. Billard E. . . . c34337_6q8l 6 L. Myriam L. . . . c34337_6q8l 7 E. Novellino E. . . . c34337_6q8l 8 J. Tanny J. C. . . c34337_6q8l 9 A. Fournier A. . . . c34337_6q8l 10 T. Hebert T. E. . . c34337_6q8l 11 D. Chatenet D. . . . c34337_6q8l stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'G protein-coupled receptor' . c34337_6q8l 'PEPTIDE BINDING PROTEIN' . c34337_6q8l 'allosteric modulators' . c34337_6q8l 'cellular signaling.' . c34337_6q8l 'lipidated peptide' . c34337_6q8l pepducin . c34337_6q8l 'urotensin II receptor' . c34337_6q8l stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c34337_6q8l spectral_peak_list 1 c34337_6q8l stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 95 c34337_6q8l stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2020-01-13 . original BMRB . c34337_6q8l stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6Q8L . c34337_6q8l stop_ save_ save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID c34337_6q8l _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Membrane-tethered peptides derived from intracellular loops 2 and 3 of the urotensin II receptor act as allosteric agonists promoting Gq/Gi activation, EGFR transactivation and fibroblast proliferation ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 T. Hoang T. A. . . c34337_6q8l 1 2 H. Nassour H. . . . c34337_6q8l 1 3 R. Martin R. D. . . c34337_6q8l 1 4 E. Billard E. . . . c34337_6q8l 1 5 L. Myriam L. . . . c34337_6q8l 1 6 E. Novellino E. . . . c34337_6q8l 1 7 A. Carotenuto A. . . . c34337_6q8l 1 8 J. Tanny J. C. . . c34337_6q8l 1 9 A. Fournier A. . . . c34337_6q8l 1 10 T. Hebert T. E. . . c34337_6q8l 1 11 D. Chatenet D. . . . c34337_6q8l 1 stop_ save_ save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c34337_6q8l _Assembly.ID 1 _Assembly.Name ACE-ARG-PRO-LEU-ASP-THR-VAL-GLN-ARG-PRO-LYS-GLY-TYR-NH2 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . c34337_6q8l 1 stop_ save_ save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID c34337_6q8l _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; XRPLDTVQRPKGYX ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer yes _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 14 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1456.692 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ACE . c34337_6q8l 1 2 . ARG . c34337_6q8l 1 3 . PRO . c34337_6q8l 1 4 . LEU . c34337_6q8l 1 5 . ASP . c34337_6q8l 1 6 . THR . c34337_6q8l 1 7 . VAL . c34337_6q8l 1 8 . GLN . c34337_6q8l 1 9 . ARG . c34337_6q8l 1 10 . PRO . c34337_6q8l 1 11 . LYS . c34337_6q8l 1 12 . GLY . c34337_6q8l 1 13 . TYR . c34337_6q8l 1 14 . NH2 . c34337_6q8l 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ACE 1 1 c34337_6q8l 1 . ARG 2 2 c34337_6q8l 1 . PRO 3 3 c34337_6q8l 1 . LEU 4 4 c34337_6q8l 1 . ASP 5 5 c34337_6q8l 1 . THR 6 6 c34337_6q8l 1 . VAL 7 7 c34337_6q8l 1 . GLN 8 8 c34337_6q8l 1 . ARG 9 9 c34337_6q8l 1 . PRO 10 10 c34337_6q8l 1 . LYS 11 11 c34337_6q8l 1 . GLY 12 12 c34337_6q8l 1 . TYR 13 13 c34337_6q8l 1 . NH2 14 14 c34337_6q8l 1 stop_ save_ save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID c34337_6q8l _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . c34337_6q8l 1 stop_ save_ save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID c34337_6q8l _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . c34337_6q8l 1 stop_ save_ save_chem_comp_ACE _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ACE _Chem_comp.Entry_ID c34337_6q8l _Chem_comp.ID ACE _Chem_comp.Provenance PDB _Chem_comp.Name 'ACETYL GROUP' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ACE _Chem_comp.PDB_code ACE _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces ACU _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ACE _Chem_comp.Number_atoms_all 7 _Chem_comp.Number_atoms_nh 3 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C2H4O/c1-2-3/h2H,1H3 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C2 H4 O' _Chem_comp.Formula_weight 44.053 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC=O SMILES CACTVS 3.341 c34337_6q8l ACE CC=O SMILES 'OpenEye OEToolkits' 1.5.0 c34337_6q8l ACE CC=O SMILES_CANONICAL CACTVS 3.341 c34337_6q8l ACE CC=O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c34337_6q8l ACE IKHGUXGNUITLKF-UHFFFAOYSA-N InChIKey InChI 1.03 c34337_6q8l ACE InChI=1S/C2H4O/c1-2-3/h2H,1H3 InChI InChI 1.03 c34337_6q8l ACE O=CC SMILES ACDLabs 10.04 c34337_6q8l ACE stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID acetaldehyde 'SYSTEMATIC NAME' ACDLabs 10.04 c34337_6q8l ACE ethanal 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c34337_6q8l ACE stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C C C C . C . . N 0 . . . 1 no no . . . . 0.772 . -10.072 . 6.578 . -0.133 0.453 0.000 1 . c34337_6q8l ACE O O O O . O . . N 0 . . . 1 no no . . . . 1.973 . -10.223 . 6.862 . -1.113 -0.252 0.000 2 . c34337_6q8l ACE CH3 CH3 CH3 CH3 . C . . N 0 . . . 1 no no . . . . -0.322 . -10.677 . 7.405 . 1.241 -0.167 0.000 3 . c34337_6q8l ACE H H H H . H . . N 0 . . . 1 no no . . . . 0.685 . -9.453 . 5.669 . -0.240 1.528 0.000 4 . c34337_6q8l ACE H1 H1 H1 1H . H . . N 0 . . . 1 no no . . . . -1.191 . -10.444 . 7.018 . 1.360 -0.785 0.890 5 . c34337_6q8l ACE H2 H2 H2 2H . H . . N 0 . . . 1 no no . . . . -0.269 . -10.331 . 8.320 . 1.360 -0.785 -0.890 6 . c34337_6q8l ACE H3 H3 H3 3H . H . . N 0 . . . 1 no no . . . . -0.221 . -11.652 . 7.418 . 1.995 0.620 0.000 7 . c34337_6q8l ACE stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C O no N 1 . c34337_6q8l ACE 2 . SING C CH3 no N 2 . c34337_6q8l ACE 3 . SING C H no N 3 . c34337_6q8l ACE 4 . SING CH3 H1 no N 4 . c34337_6q8l ACE 5 . SING CH3 H2 no N 5 . c34337_6q8l ACE 6 . SING CH3 H3 no N 6 . c34337_6q8l ACE stop_ save_ save_chem_comp_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NH2 _Chem_comp.Entry_ID c34337_6q8l _Chem_comp.ID NH2 _Chem_comp.Provenance PDB _Chem_comp.Name 'AMINO GROUP' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code NH2 _Chem_comp.PDB_code NH2 _Chem_comp.Ambiguous_flag yes _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code NH2 _Chem_comp.Number_atoms_all 3 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1/H3N/h1H3 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'H2 N' _Chem_comp.Formula_weight 16.023 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details 'OpenEye OEToolkits' _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2FLY _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/H3N/h1H3 InChI InChI 1.02b c34337_6q8l NH2 N SMILES ACDLabs 10.04 c34337_6q8l NH2 QGZKDVFQNNGYKY-UHFFFAOYAF InChIKey InChI 1.02b c34337_6q8l NH2 [NH2] SMILES CACTVS 3.341 c34337_6q8l NH2 [NH2] SMILES 'OpenEye OEToolkits' 1.5.0 c34337_6q8l NH2 [NH2] SMILES_CANONICAL CACTVS 3.341 c34337_6q8l NH2 [NH2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c34337_6q8l NH2 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID ammonia 'SYSTEMATIC NAME' ACDLabs 10.04 c34337_6q8l NH2 l^{2}-azane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c34337_6q8l NH2 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 10.091 . 8.978 . -7.810 . 0.000 0.000 0.000 1 . c34337_6q8l NH2 HN1 HN1 HN1 1HN . H . . N 0 . . . 1 no no . . . . 9.517 . 8.769 . -7.044 . -0.385 -0.545 -0.771 2 . c34337_6q8l NH2 HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no no . . . . 10.323 . 9.890 . -8.082 . 1.020 0.000 0.000 3 . c34337_6q8l NH2 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N HN1 no N 1 . c34337_6q8l NH2 2 . SING N HN2 no N 2 . c34337_6q8l NH2 stop_ save_ save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c34337_6q8l _Sample.ID 1 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details '2.0 mM 1H peptide, 200.0 mM [U-99% 2H] DPC, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 peptide 'natural abundance' . . 1 $entity_1 . . 2.0 . . mM . . . . c34337_6q8l 1 2 DPC '[U-99% 2H]' . . . . . . 200.0 . . mM . . . . c34337_6q8l 1 stop_ save_ save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID c34337_6q8l _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . mM c34337_6q8l 1 pH 5.5 . pH c34337_6q8l 1 pressure 1 . atm c34337_6q8l 1 temperature 298 . K c34337_6q8l 1 stop_ save_ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID c34337_6q8l _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . c34337_6q8l 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement c34337_6q8l 1 . 'structure calculation' c34337_6q8l 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID c34337_6q8l _Software.ID 2 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . c34337_6q8l 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' c34337_6q8l 2 stop_ save_ save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID c34337_6q8l _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID c34337_6q8l _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian INOVA . 700 . . . c34337_6q8l 1 stop_ save_ save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID c34337_6q8l _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c34337_6q8l 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c34337_6q8l 1 3 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c34337_6q8l 1 stop_ save_ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID c34337_6q8l _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 TSP 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . c34337_6q8l 1 stop_ save_ save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID c34337_6q8l _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . c34337_6q8l 1 2 '2D 1H-1H NOESY' . . . c34337_6q8l 1 3 '2D DQF-COSY' . . . c34337_6q8l 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ARG H H 1 8.545 0.000 . . . . . . A 1 ARG H . c34337_6q8l 1 2 . 1 1 2 2 ARG HA H 1 4.255 0.000 . . . . . . A 1 ARG HA . c34337_6q8l 1 3 . 1 1 2 2 ARG HB2 H 1 1.842 0.002 . . . . . . A 1 ARG HB2 . c34337_6q8l 1 4 . 1 1 2 2 ARG HB3 H 1 1.842 0.002 . . . . . . A 1 ARG HB3 . c34337_6q8l 1 5 . 1 1 2 2 ARG HG2 H 1 1.700 0.001 . . . . . . A 1 ARG HG2 . c34337_6q8l 1 6 . 1 1 2 2 ARG HG3 H 1 1.663 0.001 . . . . . . A 1 ARG HG3 . c34337_6q8l 1 7 . 1 1 2 2 ARG HD2 H 1 3.216 0.000 . . . . . . A 1 ARG HD2 . c34337_6q8l 1 8 . 1 1 2 2 ARG HD3 H 1 3.216 0.000 . . . . . . A 1 ARG HD3 . c34337_6q8l 1 9 . 1 1 2 2 ARG HE H 1 7.636 0.002 . . . . . . A 1 ARG HE . c34337_6q8l 1 10 . 1 1 3 3 PRO HA H 1 4.412 0.004 . . . . . . A 2 PRO HA . c34337_6q8l 1 11 . 1 1 3 3 PRO HB2 H 1 2.389 0.000 . . . . . . A 2 PRO HB2 . c34337_6q8l 1 12 . 1 1 3 3 PRO HB3 H 1 2.295 0.004 . . . . . . A 2 PRO HB3 . c34337_6q8l 1 13 . 1 1 3 3 PRO HG2 H 1 1.989 0.001 . . . . . . A 2 PRO HG2 . c34337_6q8l 1 14 . 1 1 3 3 PRO HG3 H 1 1.646 0.000 . . . . . . A 2 PRO HG3 . c34337_6q8l 1 15 . 1 1 3 3 PRO HD2 H 1 3.843 0.001 . . . . . . A 2 PRO HD2 . c34337_6q8l 1 16 . 1 1 3 3 PRO HD3 H 1 3.420 0.100 . . . . . . A 2 PRO HD3 . c34337_6q8l 1 17 . 1 1 4 4 LEU H H 1 8.141 0.000 . . . . . . A 3 LEU H . c34337_6q8l 1 18 . 1 1 4 4 LEU HA H 1 4.242 0.000 . . . . . . A 3 LEU HA . c34337_6q8l 1 19 . 1 1 4 4 LEU HB2 H 1 1.778 0.001 . . . . . . A 3 LEU HB2 . c34337_6q8l 1 20 . 1 1 4 4 LEU HB3 H 1 1.778 0.001 . . . . . . A 3 LEU HB3 . c34337_6q8l 1 21 . 1 1 4 4 LEU HG H 1 1.661 0.001 . . . . . . A 3 LEU HG . c34337_6q8l 1 22 . 1 1 4 4 LEU HD11 H 1 0.852 0.000 . . . . . . A 3 LEU HD11 . c34337_6q8l 1 23 . 1 1 4 4 LEU HD12 H 1 0.852 0.000 . . . . . . A 3 LEU HD12 . c34337_6q8l 1 24 . 1 1 4 4 LEU HD13 H 1 0.852 0.000 . . . . . . A 3 LEU HD13 . c34337_6q8l 1 25 . 1 1 4 4 LEU HD21 H 1 0.922 0.002 . . . . . . A 3 LEU HD21 . c34337_6q8l 1 26 . 1 1 4 4 LEU HD22 H 1 0.922 0.002 . . . . . . A 3 LEU HD22 . c34337_6q8l 1 27 . 1 1 4 4 LEU HD23 H 1 0.922 0.002 . . . . . . A 3 LEU HD23 . c34337_6q8l 1 28 . 1 1 5 5 ASP H H 1 8.162 0.002 . . . . . . A 4 ASP H . c34337_6q8l 1 29 . 1 1 5 5 ASP HA H 1 4.535 0.001 . . . . . . A 4 ASP HA . c34337_6q8l 1 30 . 1 1 5 5 ASP HB2 H 1 2.813 0.000 . . . . . . A 4 ASP HB2 . c34337_6q8l 1 31 . 1 1 5 5 ASP HB3 H 1 2.813 0.000 . . . . . . A 4 ASP HB3 . c34337_6q8l 1 32 . 1 1 6 6 THR H H 1 7.767 0.000 . . . . . . A 5 THR H . c34337_6q8l 1 33 . 1 1 6 6 THR HA H 1 4.328 0.000 . . . . . . A 5 THR HA . c34337_6q8l 1 34 . 1 1 6 6 THR HG21 H 1 1.172 0.004 . . . . . . A 5 THR HG21 . c34337_6q8l 1 35 . 1 1 6 6 THR HG22 H 1 1.172 0.004 . . . . . . A 5 THR HG22 . c34337_6q8l 1 36 . 1 1 6 6 THR HG23 H 1 1.172 0.004 . . . . . . A 5 THR HG23 . c34337_6q8l 1 37 . 1 1 7 7 VAL H H 1 7.543 0.000 . . . . . . A 6 VAL H . c34337_6q8l 1 38 . 1 1 7 7 VAL HA H 1 4.032 0.000 . . . . . . A 6 VAL HA . c34337_6q8l 1 39 . 1 1 7 7 VAL HB H 1 2.124 0.000 . . . . . . A 6 VAL HB . c34337_6q8l 1 40 . 1 1 7 7 VAL HG11 H 1 0.924 0.000 . . . . . . A 6 VAL HG11 . c34337_6q8l 1 41 . 1 1 7 7 VAL HG12 H 1 0.924 0.000 . . . . . . A 6 VAL HG12 . c34337_6q8l 1 42 . 1 1 7 7 VAL HG13 H 1 0.924 0.000 . . . . . . A 6 VAL HG13 . c34337_6q8l 1 43 . 1 1 7 7 VAL HG21 H 1 0.968 0.000 . . . . . . A 6 VAL HG21 . c34337_6q8l 1 44 . 1 1 7 7 VAL HG22 H 1 0.968 0.000 . . . . . . A 6 VAL HG22 . c34337_6q8l 1 45 . 1 1 7 7 VAL HG23 H 1 0.968 0.000 . . . . . . A 6 VAL HG23 . c34337_6q8l 1 46 . 1 1 8 8 GLN H H 1 8.257 0.000 . . . . . . A 7 GLN H . c34337_6q8l 1 47 . 1 1 8 8 GLN HA H 1 4.390 0.000 . . . . . . A 7 GLN HA . c34337_6q8l 1 48 . 1 1 8 8 GLN HB2 H 1 1.916 0.002 . . . . . . A 7 GLN HB2 . c34337_6q8l 1 49 . 1 1 8 8 GLN HB3 H 1 2.031 0.001 . . . . . . A 7 GLN HB3 . c34337_6q8l 1 50 . 1 1 8 8 GLN HG2 H 1 2.319 0.000 . . . . . . A 7 GLN HG2 . c34337_6q8l 1 51 . 1 1 8 8 GLN HG3 H 1 2.319 0.000 . . . . . . A 7 GLN HG3 . c34337_6q8l 1 52 . 1 1 8 8 GLN HE21 H 1 7.571 0.000 . . . . . . A 7 GLN HE21 . c34337_6q8l 1 53 . 1 1 8 8 GLN HE22 H 1 6.825 0.000 . . . . . . A 7 GLN HE22 . c34337_6q8l 1 54 . 1 1 9 9 ARG H H 1 8.543 0.003 . . . . . . A 8 ARG H . c34337_6q8l 1 55 . 1 1 9 9 ARG HA H 1 4.388 0.001 . . . . . . A 8 ARG HA . c34337_6q8l 1 56 . 1 1 9 9 ARG HB2 H 1 1.765 0.004 . . . . . . A 8 ARG HB2 . c34337_6q8l 1 57 . 1 1 9 9 ARG HB3 H 1 1.765 0.004 . . . . . . A 8 ARG HB3 . c34337_6q8l 1 58 . 1 1 9 9 ARG HG2 H 1 1.657 0.000 . . . . . . A 8 ARG HG2 . c34337_6q8l 1 59 . 1 1 9 9 ARG HG3 H 1 1.657 0.000 . . . . . . A 8 ARG HG3 . c34337_6q8l 1 60 . 1 1 9 9 ARG HD2 H 1 3.165 0.002 . . . . . . A 8 ARG HD2 . c34337_6q8l 1 61 . 1 1 9 9 ARG HD3 H 1 3.165 0.002 . . . . . . A 8 ARG HD3 . c34337_6q8l 1 62 . 1 1 9 9 ARG HE H 1 7.493 0.000 . . . . . . A 8 ARG HE . c34337_6q8l 1 63 . 1 1 10 10 PRO HA H 1 4.484 0.000 . . . . . . A 9 PRO HA . c34337_6q8l 1 64 . 1 1 10 10 PRO HB2 H 1 2.351 0.000 . . . . . . A 9 PRO HB2 . c34337_6q8l 1 65 . 1 1 10 10 PRO HB3 H 1 2.351 0.000 . . . . . . A 9 PRO HB3 . c34337_6q8l 1 66 . 1 1 10 10 PRO HG2 H 1 1.920 0.000 . . . . . . A 9 PRO HG2 . c34337_6q8l 1 67 . 1 1 10 10 PRO HG3 H 1 1.920 0.000 . . . . . . A 9 PRO HG3 . c34337_6q8l 1 68 . 1 1 10 10 PRO HD2 H 1 3.836 0.000 . . . . . . A 9 PRO HD2 . c34337_6q8l 1 69 . 1 1 10 10 PRO HD3 H 1 3.447 0.000 . . . . . . A 9 PRO HD3 . c34337_6q8l 1 70 . 1 1 11 11 LYS H H 1 8.632 0.000 . . . . . . A 10 LYS H . c34337_6q8l 1 71 . 1 1 11 11 LYS HA H 1 4.162 0.000 . . . . . . A 10 LYS HA . c34337_6q8l 1 72 . 1 1 11 11 LYS HB2 H 1 1.774 0.001 . . . . . . A 10 LYS HB2 . c34337_6q8l 1 73 . 1 1 11 11 LYS HB3 H 1 1.774 0.001 . . . . . . A 10 LYS HB3 . c34337_6q8l 1 74 . 1 1 11 11 LYS HG2 H 1 1.414 0.001 . . . . . . A 10 LYS HG2 . c34337_6q8l 1 75 . 1 1 11 11 LYS HG3 H 1 1.471 0.004 . . . . . . A 10 LYS HG3 . c34337_6q8l 1 76 . 1 1 11 11 LYS HD2 H 1 1.657 0.000 . . . . . . A 10 LYS HD2 . c34337_6q8l 1 77 . 1 1 11 11 LYS HD3 H 1 1.657 0.000 . . . . . . A 10 LYS HD3 . c34337_6q8l 1 78 . 1 1 11 11 LYS HE2 H 1 2.973 0.000 . . . . . . A 10 LYS HE2 . c34337_6q8l 1 79 . 1 1 11 11 LYS HE3 H 1 2.973 0.000 . . . . . . A 10 LYS HE3 . c34337_6q8l 1 80 . 1 1 11 11 LYS HZ1 H 1 7.538 0.000 . . . . . . A 10 LYS HZ1 . c34337_6q8l 1 81 . 1 1 11 11 LYS HZ2 H 1 7.538 0.000 . . . . . . A 10 LYS HZ2 . c34337_6q8l 1 82 . 1 1 11 11 LYS HZ3 H 1 7.538 0.000 . . . . . . A 10 LYS HZ3 . c34337_6q8l 1 83 . 1 1 12 12 GLY H H 1 8.508 0.004 . . . . . . A 11 GLY H . c34337_6q8l 1 84 . 1 1 12 12 GLY HA2 H 1 3.727 0.003 . . . . . . A 11 GLY HA2 . c34337_6q8l 1 85 . 1 1 12 12 GLY HA3 H 1 3.938 0.000 . . . . . . A 11 GLY HA2 . c34337_6q8l 1 86 . 1 1 13 13 TYR H H 1 7.945 0.000 . . . . . . A 12 TYR H . c34337_6q8l 1 87 . 1 1 13 13 TYR HA H 1 4.449 0.001 . . . . . . A 12 TYR HA . c34337_6q8l 1 88 . 1 1 13 13 TYR HB2 H 1 2.823 0.000 . . . . . . A 12 TYR HB2 . c34337_6q8l 1 89 . 1 1 13 13 TYR HB3 H 1 3.019 0.000 . . . . . . A 12 TYR HB3 . c34337_6q8l 1 90 . 1 1 13 13 TYR HD1 H 1 7.011 0.001 . . . . . . A 12 TYR HD1 . c34337_6q8l 1 91 . 1 1 13 13 TYR HD2 H 1 7.011 0.001 . . . . . . A 12 TYR HD2 . c34337_6q8l 1 92 . 1 1 13 13 TYR HE1 H 1 6.764 0.000 . . . . . . A 12 TYR HE1 . c34337_6q8l 1 93 . 1 1 13 13 TYR HE2 H 1 6.764 0.000 . . . . . . A 12 TYR HE2 . c34337_6q8l 1 94 . 1 1 14 14 NH2 HN1 H 1 7.606 0.002 . . . . . . A 13 NH2 HN1 . c34337_6q8l 1 95 . 1 1 14 14 NH2 HN2 H 1 7.080 0.000 . . . . . . A 13 NH2 HN2 . c34337_6q8l 1 stop_ save_ save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID c34337_6q8l _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 #INAME 1 H1y #INAME 2 H1x 4 4.390 8.256 1 U 1.463e+04 0.00e+00 - 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0 165 171 0 686 2.823 1.920 1 U 5.367e+03 0.00e+00 - 0 208 165 0 687 3.019 1.919 1 U 2.933e+03 0.00e+00 - 0 209 0 0 688 2.389 1.646 1 U 4.293e+04 0.00e+00 - 0 34 39 0 689 1.646 2.389 1 U 5.470e+04 0.00e+00 - 0 39 34 0 690 1.646 1.646 1 U -2.170e+07 0.00e+00 - 0 39 39 0 691 3.397 1.646 1 U 9.963e+03 0.00e+00 - 0 42 39 0 692 3.845 1.646 1 U 1.260e+04 0.00e+00 - 0 42 39 0 693 1.646 3.397 1 U 7.497e+03 0.00e+00 - 0 39 42 0 694 1.646 3.845 1 U 7.300e+03 0.00e+00 - 0 39 41 0 695 1.662 2.817 1 U 4.738e+03 0.00e+00 - 0 0 0 0 696 1.778 2.822 1 U 4.323e+03 0.00e+00 - 0 0 0 0 697 2.822 1.774 1 U 3.331e+03 0.00e+00 - 0 0 0 0 698 2.816 1.660 1 U 4.307e+03 0.00e+00 - 0 74 137 0 700 3.396 8.545 1 U 3.099e+03 0.00e+00 - 0 42 2 0 701 2.301 8.545 1 U 1.809e+04 0.00e+00 - 0 0 2 0 702 8.159 4.242 1 U 1.336e+04 0.00e+00 - 0 0 48 0 703 3.164 2.813 1 U 1.192e+03 0.00e+00 - 0 141 74 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . . 14 ppm . . . 4.76 . . c34337_6q8l 1 2 . . H 1 H . . 14 ppm . . . 4.76 . . c34337_6q8l 1 stop_ save_ save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID c34337_6q8l _Conformer_stat_list.ID 1 _Conformer_stat_list.Conf_family_coord_set_ID 1 _Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures _Conformer_stat_list.Conformer_submitted_total_num 10 save_ save_ensemble_of_conformers _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Sf_framecode ensemble_of_conformers _Conformer_family_coord_set.Entry_ID c34337_6q8l _Conformer_family_coord_set.ID 1 loop_ _Conformer_family_refinement.Refine_method _Conformer_family_refinement.Refine_details _Conformer_family_refinement.Software_ID _Conformer_family_refinement.Software_label _Conformer_family_refinement.Entry_ID _Conformer_family_refinement.Conformer_family_coord_set_ID 1 . . . c34337_6q8l 1 stop_ loop_ _Conformer_family_software.Software_ID _Conformer_family_software.Software_label _Conformer_family_software.Method_ID _Conformer_family_software.Method_label _Conformer_family_software.Entry_ID _Conformer_family_software.Conformer_family_coord_set_ID . . . . c34337_6q8l 1 stop_ loop_ _Atom_site.Assembly_ID _Atom_site.Model_ID _Atom_site.Model_site_ID _Atom_site.ID _Atom_site.Assembly_atom_ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Cartn_x_esd _Atom_site.Cartn_y_esd _Atom_site.Cartn_z_esd _Atom_site.Occupancy _Atom_site.Occupancy_esd _Atom_site.Uncertainty _Atom_site.Ordered_flag _Atom_site.Footnote_ID _Atom_site.PDBX_label_asym_ID _Atom_site.PDBX_label_seq_ID _Atom_site.PDBX_label_comp_ID _Atom_site.PDBX_label_atom_ID _Atom_site.PDBX_formal_charge _Atom_site.PDBX_label_entity_ID _Atom_site.PDB_record_ID _Atom_site.PDB_model_num _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Auth_entity_assembly_ID _Atom_site.Auth_asym_ID _Atom_site.Auth_chain_ID _Atom_site.Auth_seq_ID _Atom_site.Auth_comp_ID _Atom_site.Auth_atom_ID _Atom_site.Auth_alt_ID _Atom_site.Auth_atom_name _Atom_site.Details _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID . 1 . 1 . 1 1 1 ACE C C -10.088 -3.874 -0.027 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c34337_6q8l 1 . 1 . 2 . 1 1 1 ACE CH3 C -10.999 -4.934 -0.613 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c34337_6q8l 1 . 1 . 3 . 1 1 1 ACE H1 H -10.779 -5.922 -0.175 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c34337_6q8l 1 . 1 . 4 . 1 1 1 ACE H2 H -12.055 -4.697 -0.391 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c34337_6q8l 1 . 1 . 5 . 1 1 1 ACE H3 H -10.910 -5.014 -1.713 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . c34337_6q8l 1 . 1 . 6 . 1 1 1 ACE O O -10.452 -3.192 0.932 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c34337_6q8l 1 . 1 . 7 . 1 1 2 ARG C C -7.297 -2.097 -1.549 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c34337_6q8l 1 . 1 . 8 . 1 1 2 ARG CA C -7.910 -2.708 -0.247 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c34337_6q8l 1 . 1 . 9 . 1 1 2 ARG CB C -6.870 -3.255 0.785 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c34337_6q8l 1 . 1 . 10 . 1 1 2 ARG CD C -6.831 -3.964 3.288 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c34337_6q8l 1 . 1 . 11 . 1 1 2 ARG CG C -7.243 -2.904 2.248 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c34337_6q8l 1 . 1 . 12 . 1 1 2 ARG CZ C -8.747 -3.914 4.922 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c34337_6q8l 1 . 1 . 13 . 1 1 2 ARG H H -8.753 -4.403 -1.396 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H . . . . . . . . . c34337_6q8l 1 . 1 . 14 . 1 1 2 ARG HA H -8.426 -1.873 0.258 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c34337_6q8l 1 . 1 . 15 . 1 1 2 ARG HB2 H -6.740 -4.348 0.647 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c34337_6q8l 1 . 1 . 16 . 1 1 2 ARG HB3 H -5.859 -2.849 0.579 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c34337_6q8l 1 . 1 . 17 . 1 1 2 ARG HD2 H -7.071 -4.989 2.937 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c34337_6q8l 1 . 1 . 18 . 1 1 2 ARG HD3 H -5.726 -3.960 3.390 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c34337_6q8l 1 . 1 . 19 . 1 1 2 ARG HE H -6.906 -3.330 5.393 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c34337_6q8l 1 . 1 . 20 . 1 1 2 ARG HG2 H -6.814 -1.918 2.518 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c34337_6q8l 1 . 1 . 21 . 1 1 2 ARG HG3 H -8.335 -2.739 2.316 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c34337_6q8l 1 . 1 . 22 . 1 1 2 ARG HH11 H -10.137 -3.806 6.335 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c34337_6q8l 1 . 1 . 23 . 1 1 2 ARG HH12 H -8.449 -3.291 6.785 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c34337_6q8l 1 . 1 . 24 . 1 1 2 ARG HH21 H -10.608 -4.447 4.357 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c34337_6q8l 1 . 1 . 25 . 1 1 2 ARG HH22 H -9.268 -4.484 3.118 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c34337_6q8l 1 . 1 . 26 . 1 1 2 ARG N N -8.895 -3.764 -0.608 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c34337_6q8l 1 . 1 . 27 . 1 1 2 ARG NE N -7.461 -3.700 4.616 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c34337_6q8l 1 . 1 . 28 . 1 1 2 ARG NH1 N -9.148 -3.647 6.131 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c34337_6q8l 1 . 1 . 29 . 1 1 2 ARG NH2 N -9.634 -4.362 4.065 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c34337_6q8l 1 . 1 . 30 . 1 1 2 ARG O O -6.267 -2.604 -2.008 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c34337_6q8l 1 . 1 . 31 . 1 1 3 PRO C C -5.858 0.520 -2.825 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . c34337_6q8l 1 . 1 . 32 . 1 1 3 PRO CA C -7.146 -0.266 -3.260 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . c34337_6q8l 1 . 1 . 33 . 1 1 3 PRO CB C -8.279 0.640 -3.783 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . c34337_6q8l 1 . 1 . 34 . 1 1 3 PRO CD C -9.090 -0.324 -1.721 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . c34337_6q8l 1 . 1 . 35 . 1 1 3 PRO CG C -9.118 0.966 -2.546 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . c34337_6q8l 1 . 1 . 36 . 1 1 3 PRO HA H -6.847 -0.970 -4.062 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . c34337_6q8l 1 . 1 . 37 . 1 1 3 PRO HB2 H -7.911 1.544 -4.303 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . c34337_6q8l 1 . 1 . 38 . 1 1 3 PRO HB3 H -8.896 0.087 -4.516 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . c34337_6q8l 1 . 1 . 39 . 1 1 3 PRO HD2 H -9.091 -0.074 -0.642 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . c34337_6q8l 1 . 1 . 40 . 1 1 3 PRO HD3 H -9.976 -0.955 -1.924 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . c34337_6q8l 1 . 1 . 41 . 1 1 3 PRO HG2 H -8.642 1.793 -1.983 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . c34337_6q8l 1 . 1 . 42 . 1 1 3 PRO HG3 H -10.143 1.300 -2.786 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . c34337_6q8l 1 . 1 . 43 . 1 1 3 PRO N N -7.850 -1.004 -2.167 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . c34337_6q8l 1 . 1 . 44 . 1 1 3 PRO O O -4.889 0.603 -3.582 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . c34337_6q8l 1 . 1 . 45 . 1 1 4 LEU C C -3.601 0.604 -0.356 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c34337_6q8l 1 . 1 . 46 . 1 1 4 LEU CA C -4.635 1.638 -0.940 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c34337_6q8l 1 . 1 . 47 . 1 1 4 LEU CB C -5.153 2.633 0.142 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c34337_6q8l 1 . 1 . 48 . 1 1 4 LEU CD1 C -7.557 3.520 0.212 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c34337_6q8l 1 . 1 . 49 . 1 1 4 LEU CD2 C -5.640 5.161 0.042 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c34337_6q8l 1 . 1 . 50 . 1 1 4 LEU CG C -6.133 3.753 -0.331 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c34337_6q8l 1 . 1 . 51 . 1 1 4 LEU H H -6.680 0.798 -1.051 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c34337_6q8l 1 . 1 . 52 . 1 1 4 LEU HA H -4.081 2.233 -1.694 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c34337_6q8l 1 . 1 . 53 . 1 1 4 LEU HB2 H -5.601 2.052 0.974 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c34337_6q8l 1 . 1 . 54 . 1 1 4 LEU HB3 H -4.268 3.091 0.623 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c34337_6q8l 1 . 1 . 55 . 1 1 4 LEU HD11 H -8.302 4.111 -0.351 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c34337_6q8l 1 . 1 . 56 . 1 1 4 LEU HD12 H -7.867 2.462 0.130 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c34337_6q8l 1 . 1 . 57 . 1 1 4 LEU HD13 H -7.651 3.798 1.278 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c34337_6q8l 1 . 1 . 58 . 1 1 4 LEU HD21 H -5.241 5.204 1.073 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c34337_6q8l 1 . 1 . 59 . 1 1 4 LEU HD22 H -4.831 5.488 -0.637 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c34337_6q8l 1 . 1 . 60 . 1 1 4 LEU HD23 H -6.440 5.920 -0.027 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c34337_6q8l 1 . 1 . 61 . 1 1 4 LEU HG H -6.205 3.727 -1.437 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c34337_6q8l 1 . 1 . 62 . 1 1 4 LEU N N -5.834 1.029 -1.579 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c34337_6q8l 1 . 1 . 63 . 1 1 4 LEU O O -2.945 0.848 0.662 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c34337_6q8l 1 . 1 . 64 . 1 1 5 ASP C C -0.799 -0.740 -1.289 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c34337_6q8l 1 . 1 . 65 . 1 1 5 ASP CA C -2.187 -1.386 -0.899 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c34337_6q8l 1 . 1 . 66 . 1 1 5 ASP CB C -2.557 -2.667 -1.702 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c34337_6q8l 1 . 1 . 67 . 1 1 5 ASP CG C -1.699 -3.882 -1.400 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c34337_6q8l 1 . 1 . 68 . 1 1 5 ASP H H -3.925 -0.545 -1.946 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c34337_6q8l 1 . 1 . 69 . 1 1 5 ASP HA H -2.124 -1.655 0.173 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c34337_6q8l 1 . 1 . 70 . 1 1 5 ASP HB2 H -3.595 -2.986 -1.480 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c34337_6q8l 1 . 1 . 71 . 1 1 5 ASP HB3 H -2.540 -2.475 -2.791 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c34337_6q8l 1 . 1 . 72 . 1 1 5 ASP N N -3.371 -0.505 -1.081 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c34337_6q8l 1 . 1 . 73 . 1 1 5 ASP O O 0.250 -1.212 -0.845 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c34337_6q8l 1 . 1 . 74 . 1 1 5 ASP OD1 O -1.954 -4.534 -0.360 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c34337_6q8l 1 . 1 . 75 . 1 1 5 ASP OD2 O -0.738 -4.157 -2.145 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c34337_6q8l 1 . 1 . 76 . 1 1 6 THR C C 0.618 2.527 -2.024 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . c34337_6q8l 1 . 1 . 77 . 1 1 6 THR CA C 0.402 1.066 -2.593 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . c34337_6q8l 1 . 1 . 78 . 1 1 6 THR CB C 0.489 0.952 -4.170 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . c34337_6q8l 1 . 1 . 79 . 1 1 6 THR CG2 C -0.395 -0.090 -4.896 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . c34337_6q8l 1 . 1 . 80 . 1 1 6 THR H H -1.757 0.613 -2.370 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . c34337_6q8l 1 . 1 . 81 . 1 1 6 THR HA H 1.283 0.537 -2.204 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . c34337_6q8l 1 . 1 . 82 . 1 1 6 THR HB H 1.538 0.688 -4.412 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . c34337_6q8l 1 . 1 . 83 . 1 1 6 THR HG1 H 0.837 2.834 -4.456 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . c34337_6q8l 1 . 1 . 84 . 1 1 6 THR HG21 H -0.298 -1.098 -4.447 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . c34337_6q8l 1 . 1 . 85 . 1 1 6 THR HG22 H -1.465 0.185 -4.824 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . c34337_6q8l 1 . 1 . 86 . 1 1 6 THR HG23 H -0.156 -0.173 -5.969 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . c34337_6q8l 1 . 1 . 87 . 1 1 6 THR N N -0.810 0.356 -2.074 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . c34337_6q8l 1 . 1 . 88 . 1 1 6 THR O O 1.460 3.273 -2.531 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . c34337_6q8l 1 . 1 . 89 . 1 1 6 THR OG1 O 0.211 2.193 -4.814 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . c34337_6q8l 1 . 1 . 90 . 1 1 7 VAL C C 0.689 4.053 1.108 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c34337_6q8l 1 . 1 . 91 . 1 1 7 VAL CA C -0.044 4.229 -0.265 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c34337_6q8l 1 . 1 . 92 . 1 1 7 VAL CB C -1.503 4.841 -0.206 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c34337_6q8l 1 . 1 . 93 . 1 1 7 VAL CG1 C -1.872 5.665 1.054 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c34337_6q8l 1 . 1 . 94 . 1 1 7 VAL CG2 C -1.844 5.670 -1.472 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c34337_6q8l 1 . 1 . 95 . 1 1 7 VAL H H -0.784 2.175 -0.695 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c34337_6q8l 1 . 1 . 96 . 1 1 7 VAL HA H 0.604 4.929 -0.830 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c34337_6q8l 1 . 1 . 97 . 1 1 7 VAL HB H -2.228 4.003 -0.178 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c34337_6q8l 1 . 1 . 98 . 1 1 7 VAL HG11 H -2.894 6.082 0.998 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c34337_6q8l 1 . 1 . 99 . 1 1 7 VAL HG12 H -1.856 5.040 1.967 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c34337_6q8l 1 . 1 . 100 . 1 1 7 VAL HG13 H -1.176 6.507 1.224 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c34337_6q8l 1 . 1 . 101 . 1 1 7 VAL HG21 H -2.214 6.690 -1.249 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c34337_6q8l 1 . 1 . 102 . 1 1 7 VAL HG22 H -0.983 5.806 -2.153 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c34337_6q8l 1 . 1 . 103 . 1 1 7 VAL HG23 H -2.632 5.178 -2.071 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c34337_6q8l 1 . 1 . 104 . 1 1 7 VAL N N -0.131 2.914 -0.977 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c34337_6q8l 1 . 1 . 105 . 1 1 7 VAL O O 1.690 4.725 1.367 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c34337_6q8l 1 . 1 . 106 . 1 1 8 GLN C C 2.159 1.945 3.143 . . . 1.0 . . . . . . . . . . . . A . 7 GLN C . . . . . . . . . c34337_6q8l 1 . 1 . 107 . 1 1 8 GLN CA C 0.858 2.799 3.262 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CA . . . . . . . . . c34337_6q8l 1 . 1 . 108 . 1 1 8 GLN CB C -0.213 2.112 4.163 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CB . . . . . . . . . c34337_6q8l 1 . 1 . 109 . 1 1 8 GLN CD C -1.935 2.499 6.088 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CD . . . . . . . . . c34337_6q8l 1 . 1 . 110 . 1 1 8 GLN CG C -0.856 3.091 5.174 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CG . . . . . . . . . c34337_6q8l 1 . 1 . 111 . 1 1 8 GLN H H -0.598 2.619 1.606 . . . 1.0 . . . . . . . . . . . . A . 7 GLN H . . . . . . . . . c34337_6q8l 1 . 1 . 112 . 1 1 8 GLN HA H 1.194 3.737 3.751 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HA . . . . . . . . . c34337_6q8l 1 . 1 . 113 . 1 1 8 GLN HB2 H -1.007 1.618 3.562 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB2 . . . . . . . . . c34337_6q8l 1 . 1 . 114 . 1 1 8 GLN HB3 H 0.229 1.271 4.733 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB3 . . . . . . . . . c34337_6q8l 1 . 1 . 115 . 1 1 8 GLN HE21 H -1.863 4.151 7.202 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE21 . . . . . . . . . c34337_6q8l 1 . 1 . 116 . 1 1 8 GLN HE22 H -3.029 2.808 7.693 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE22 . . . . . . . . . c34337_6q8l 1 . 1 . 117 . 1 1 8 GLN HG2 H -0.049 3.512 5.806 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG2 . . . . . . . . . c34337_6q8l 1 . 1 . 118 . 1 1 8 GLN HG3 H -1.293 3.949 4.631 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG3 . . . . . . . . . c34337_6q8l 1 . 1 . 119 . 1 1 8 GLN N N 0.187 3.161 1.982 . . . 1.0 . . . . . . . . . . . . A . 7 GLN N . . . . . . . . . c34337_6q8l 1 . 1 . 120 . 1 1 8 GLN NE2 N -2.324 3.243 7.094 . . . 1.0 . . . . . . . . . . . . A . 7 GLN NE2 . . . . . . . . . c34337_6q8l 1 . 1 . 121 . 1 1 8 GLN O O 3.055 2.074 3.979 . . . 1.0 . . . . . . . . . . . . A . 7 GLN O . . . . . . . . . c34337_6q8l 1 . 1 . 122 . 1 1 8 GLN OE1 O -2.446 1.396 5.923 . . . 1.0 . . . . . . . . . . . . A . 7 GLN OE1 . . . . . . . . . c34337_6q8l 1 . 1 . 123 . 1 1 9 ARG C C 3.388 -0.372 0.477 . . . 1.0 . . . . . . . . . . . . A . 8 ARG C . . . . . . . . . c34337_6q8l 1 . 1 . 124 . 1 1 9 ARG CA C 3.381 0.123 1.962 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CA . . . . . . . . . c34337_6q8l 1 . 1 . 125 . 1 1 9 ARG CB C 3.357 -1.013 3.031 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CB . . . . . . . . . c34337_6q8l 1 . 1 . 126 . 1 1 9 ARG CD C 2.267 -3.354 2.835 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CD . . . . . . . . . c34337_6q8l 1 . 1 . 127 . 1 1 9 ARG CG C 2.059 -1.857 3.127 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CG . . . . . . . . . c34337_6q8l 1 . 1 . 128 . 1 1 9 ARG CZ C -0.062 -4.210 2.487 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CZ . . . . . . . . . c34337_6q8l 1 . 1 . 129 . 1 1 9 ARG H H 1.462 1.109 1.479 . . . 1.0 . . . . . . . . . . . . A . 8 ARG H . . . . . . . . . c34337_6q8l 1 . 1 . 130 . 1 1 9 ARG HA H 4.327 0.670 2.134 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HA . . . . . . . . . c34337_6q8l 1 . 1 . 131 . 1 1 9 ARG HB2 H 4.243 -1.658 2.874 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB2 . . . . . . . . . c34337_6q8l 1 . 1 . 132 . 1 1 9 ARG HB3 H 3.540 -0.555 4.022 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB3 . . . . . . . . . c34337_6q8l 1 . 1 . 133 . 1 1 9 ARG HD2 H 2.547 -3.514 1.771 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD2 . . . . . . . . . c34337_6q8l 1 . 1 . 134 . 1 1 9 ARG HD3 H 3.137 -3.733 3.408 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD3 . . . . . . . . . c34337_6q8l 1 . 1 . 135 . 1 1 9 ARG HE H 1.048 -4.715 4.052 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HE . . . . . . . . . c34337_6q8l 1 . 1 . 136 . 1 1 9 ARG HG2 H 1.598 -1.710 4.122 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG2 . . . . . . . . . c34337_6q8l 1 . 1 . 137 . 1 1 9 ARG HG3 H 1.298 -1.461 2.424 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG3 . . . . . . . . . c34337_6q8l 1 . 1 . 138 . 1 1 9 ARG HH11 H -1.868 -4.968 2.321 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH11 . . . . . . . . . c34337_6q8l 1 . 1 . 139 . 1 1 9 ARG HH12 H -0.888 -5.461 3.792 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH12 . . . . . . . . . c34337_6q8l 1 . 1 . 140 . 1 1 9 ARG HH21 H -1.014 -3.896 0.736 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH21 . . . . . . . . . c34337_6q8l 1 . 1 . 141 . 1 1 9 ARG HH22 H 0.548 -2.990 1.056 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH22 . . . . . . . . . c34337_6q8l 1 . 1 . 142 . 1 1 9 ARG N N 2.240 1.052 2.146 . . . 1.0 . . . . . . . . . . . . A . 8 ARG N . . . . . . . . . c34337_6q8l 1 . 1 . 143 . 1 1 9 ARG NE N 1.056 -4.135 3.209 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NE . . . . . . . . . c34337_6q8l 1 . 1 . 144 . 1 1 9 ARG NH1 N -1.030 -4.964 2.910 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH1 . . . . . . . . . c34337_6q8l 1 . 1 . 145 . 1 1 9 ARG NH2 N -0.241 -3.560 1.371 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH2 . . . . . . . . . c34337_6q8l 1 . 1 . 146 . 1 1 9 ARG O O 2.904 -1.481 0.222 . . . 1.0 . . . . . . . . . . . . A . 8 ARG O . . . . . . . . . c34337_6q8l 1 . 1 . 147 . 1 1 10 PRO C C 5.050 -1.309 -2.091 . . . 1.0 . . . . . . . . . . . . A . 9 PRO C . . . . . . . . . c34337_6q8l 1 . 1 . 148 . 1 1 10 PRO CA C 4.025 -0.150 -1.928 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CA . . . . . . . . . c34337_6q8l 1 . 1 . 149 . 1 1 10 PRO CB C 4.378 1.147 -2.696 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CB . . . . . . . . . c34337_6q8l 1 . 1 . 150 . 1 1 10 PRO CD C 4.496 1.726 -0.370 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CD . . . . . . . . . c34337_6q8l 1 . 1 . 151 . 1 1 10 PRO CG C 5.197 1.973 -1.705 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CG . . . . . . . . . c34337_6q8l 1 . 1 . 152 . 1 1 10 PRO HA H 3.053 -0.549 -2.269 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HA . . . . . . . . . c34337_6q8l 1 . 1 . 153 . 1 1 10 PRO HB2 H 4.920 0.977 -3.646 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HB2 . . . . . . . . . c34337_6q8l 1 . 1 . 154 . 1 1 10 PRO HB3 H 3.457 1.697 -2.969 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HB3 . . . . . . . . . c34337_6q8l 1 . 1 . 155 . 1 1 10 PRO HD2 H 5.218 1.794 0.466 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HD2 . . . . . . . . . c34337_6q8l 1 . 1 . 156 . 1 1 10 PRO HD3 H 3.695 2.473 -0.194 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HD3 . . . . . . . . . c34337_6q8l 1 . 1 . 157 . 1 1 10 PRO HG2 H 6.238 1.596 -1.664 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HG2 . . . . . . . . . c34337_6q8l 1 . 1 . 158 . 1 1 10 PRO HG3 H 5.250 3.045 -1.972 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HG3 . . . . . . . . . c34337_6q8l 1 . 1 . 159 . 1 1 10 PRO N N 3.918 0.374 -0.541 . . . 1.0 . . . . . . . . . . . . A . 9 PRO N . . . . . . . . . c34337_6q8l 1 . 1 . 160 . 1 1 10 PRO O O 5.738 -1.737 -1.155 . . . 1.0 . . . . . . . . . . . . A . 9 PRO O . . . . . . . . . c34337_6q8l 1 . 1 . 161 . 1 1 11 LYS C C 7.723 -2.090 -3.861 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . c34337_6q8l 1 . 1 . 162 . 1 1 11 LYS CA C 6.290 -2.740 -3.695 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . c34337_6q8l 1 . 1 . 163 . 1 1 11 LYS CB C 5.777 -3.486 -4.954 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . c34337_6q8l 1 . 1 . 164 . 1 1 11 LYS CD C 3.647 -4.467 -6.046 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . c34337_6q8l 1 . 1 . 165 . 1 1 11 LYS CE C 3.282 -5.910 -6.452 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . c34337_6q8l 1 . 1 . 166 . 1 1 11 LYS CG C 4.502 -4.361 -4.761 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . c34337_6q8l 1 . 1 . 167 . 1 1 11 LYS H H 4.640 -1.297 -4.042 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . c34337_6q8l 1 . 1 . 168 . 1 1 11 LYS HA H 6.395 -3.495 -2.889 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . c34337_6q8l 1 . 1 . 169 . 1 1 11 LYS HB2 H 5.633 -2.734 -5.756 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . c34337_6q8l 1 . 1 . 170 . 1 1 11 LYS HB3 H 6.582 -4.138 -5.342 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . c34337_6q8l 1 . 1 . 171 . 1 1 11 LYS HD2 H 2.714 -3.884 -5.898 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . c34337_6q8l 1 . 1 . 172 . 1 1 11 LYS HD3 H 4.145 -3.920 -6.873 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . c34337_6q8l 1 . 1 . 173 . 1 1 11 LYS HE2 H 3.977 -6.648 -5.990 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . c34337_6q8l 1 . 1 . 174 . 1 1 11 LYS HE3 H 2.281 -6.176 -6.039 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . c34337_6q8l 1 . 1 . 175 . 1 1 11 LYS HG2 H 4.806 -5.349 -4.361 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . c34337_6q8l 1 . 1 . 176 . 1 1 11 LYS HG3 H 3.858 -3.955 -3.953 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . c34337_6q8l 1 . 1 . 177 . 1 1 11 LYS HZ1 H 2.665 -5.392 -8.400 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . c34337_6q8l 1 . 1 . 178 . 1 1 11 LYS HZ2 H 4.246 -5.807 -8.310 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . c34337_6q8l 1 . 1 . 179 . 1 1 11 LYS HZ3 H 3.096 -6.980 -8.278 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . c34337_6q8l 1 . 1 . 180 . 1 1 11 LYS N N 5.210 -1.771 -3.335 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . c34337_6q8l 1 . 1 . 181 . 1 1 11 LYS NZ N 3.316 -6.037 -7.934 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . c34337_6q8l 1 . 1 . 182 . 1 1 11 LYS O O 8.518 -2.496 -4.710 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . c34337_6q8l 1 . 1 . 183 . 1 1 12 GLY C C 9.900 -0.501 -1.292 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . c34337_6q8l 1 . 1 . 184 . 1 1 12 GLY CA C 9.428 -0.598 -2.771 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . c34337_6q8l 1 . 1 . 185 . 1 1 12 GLY H H 7.283 -0.939 -2.328 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . c34337_6q8l 1 . 1 . 186 . 1 1 12 GLY HA2 H 10.184 -1.174 -3.337 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . c34337_6q8l 1 . 1 . 187 . 1 1 12 GLY HA3 H 9.471 0.423 -3.195 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . c34337_6q8l 1 . 1 . 188 . 1 1 12 GLY N N 8.052 -1.122 -2.989 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . c34337_6q8l 1 . 1 . 189 . 1 1 12 GLY O O 10.836 0.248 -1.013 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . c34337_6q8l 1 . 1 . 190 . 1 1 13 TYR C C 9.848 -2.725 1.547 . . . 1.0 . . . . . . . . . . . . A . 12 TYR C . . . . . . . . . c34337_6q8l 1 . 1 . 191 . 1 1 13 TYR CA C 9.613 -1.251 1.090 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CA . . . . . . . . . c34337_6q8l 1 . 1 . 192 . 1 1 13 TYR CB C 8.507 -0.477 1.890 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CB . . . . . . . . . c34337_6q8l 1 . 1 . 193 . 1 1 13 TYR CD1 C 9.168 1.962 1.523 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD1 . . . . . . . . . c34337_6q8l 1 . 1 . 194 . 1 1 13 TYR CD2 C 9.029 1.134 3.788 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD2 . . . . . . . . . c34337_6q8l 1 . 1 . 195 . 1 1 13 TYR CE1 C 9.551 3.215 2.003 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE1 . . . . . . . . . c34337_6q8l 1 . 1 . 196 . 1 1 13 TYR CE2 C 9.402 2.389 4.266 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE2 . . . . . . . . . c34337_6q8l 1 . 1 . 197 . 1 1 13 TYR CG C 8.916 0.912 2.409 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CG . . . . . . . . . c34337_6q8l 1 . 1 . 198 . 1 1 13 TYR CZ C 9.665 3.423 3.378 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CZ . . . . . . . . . c34337_6q8l 1 . 1 . 199 . 1 1 13 TYR H H 8.497 -1.793 -0.744 . . . 1.0 . . . . . . . . . . . . A . 12 TYR H . . . . . . . . . c34337_6q8l 1 . 1 . 200 . 1 1 13 TYR HA H 10.590 -0.751 1.254 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HA . . . . . . . . . c34337_6q8l 1 . 1 . 201 . 1 1 13 TYR HB2 H 7.574 -0.373 1.301 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB2 . . . . . . . . . c34337_6q8l 1 . 1 . 202 . 1 1 13 TYR HB3 H 8.174 -1.089 2.750 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB3 . . . . . . . . . c34337_6q8l 1 . 1 . 203 . 1 1 13 TYR HD1 H 9.090 1.808 0.455 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD1 . . . . . . . . . c34337_6q8l 1 . 1 . 204 . 1 1 13 TYR HD2 H 8.831 0.341 4.493 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD2 . . . . . . . . . c34337_6q8l 1 . 1 . 205 . 1 1 13 TYR HE1 H 9.763 4.011 1.309 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE1 . . . . . . . . . c34337_6q8l 1 . 1 . 206 . 1 1 13 TYR HE2 H 9.489 2.559 5.331 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE2 . . . . . . . . . c34337_6q8l 1 . 1 . 207 . 1 1 13 TYR HH H 10.221 5.232 3.118 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HH . . . . . . . . . c34337_6q8l 1 . 1 . 208 . 1 1 13 TYR N N 9.272 -1.241 -0.360 . . . 1.0 . . . . . . . . . . . . A . 12 TYR N . . . . . . . . . c34337_6q8l 1 . 1 . 209 . 1 1 13 TYR O O 10.980 -3.162 1.734 . . . 1.0 . . . . . . . . . . . . A . 12 TYR O . . . . . . . . . c34337_6q8l 1 . 1 . 210 . 1 1 13 TYR OH O 10.045 4.648 3.857 . . . 1.0 . . . . . . . . . . . . A . 12 TYR OH . . . . . . . . . c34337_6q8l 1 . 1 . 211 . 1 1 14 NH2 HN1 H 9.124 -4.494 2.053 . . . 1.0 . . . . . . . . . . . . A . 13 NH2 HN1 . . . . . . . . . c34337_6q8l 1 . 1 . 212 . 1 1 14 NH2 HN2 H 7.894 -3.192 1.610 . . . 1.0 . . . . . . . . . . . . A . 13 NH2 HN2 . . . . . . . . . c34337_6q8l 1 . 1 . 213 . 1 1 14 NH2 N N 8.840 -3.560 1.742 . . . 1.0 . . . . . . . . . . . . A . 13 NH2 N . . . . . . . . . c34337_6q8l 1 . 2 . 214 . 1 1 1 ACE C C -8.971 -4.719 0.031 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c34337_6q8l 1 . 2 . 215 . 1 1 1 ACE CH3 C -8.622 -6.185 0.160 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c34337_6q8l 1 . 2 . 216 . 1 1 1 ACE H1 H -7.585 -6.422 -0.142 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c34337_6q8l 1 . 2 . 217 . 1 1 1 ACE H2 H -8.767 -6.515 1.202 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c34337_6q8l 1 . 2 . 218 . 1 1 1 ACE H3 H -9.296 -6.784 -0.476 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . c34337_6q8l 1 . 2 . 219 . 1 1 1 ACE O O -10.145 -4.364 -0.004 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c34337_6q8l 1 . 2 . 220 . 1 1 2 ARG C C -7.464 -1.833 -1.438 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c34337_6q8l 1 . 2 . 221 . 1 1 2 ARG CA C -8.119 -2.397 -0.125 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c34337_6q8l 1 . 2 . 222 . 1 1 2 ARG CB C -7.536 -1.717 1.149 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c34337_6q8l 1 . 2 . 223 . 1 1 2 ARG CD C -7.705 -1.460 3.723 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c34337_6q8l 1 . 2 . 224 . 1 1 2 ARG CG C -8.412 -1.890 2.419 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c34337_6q8l 1 . 2 . 225 . 1 1 2 ARG CZ C -6.691 -2.700 5.656 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c34337_6q8l 1 . 2 . 226 . 1 1 2 ARG H H -7.029 -4.324 -0.081 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H . . . . . . . . . c34337_6q8l 1 . 2 . 227 . 1 1 2 ARG HA H -9.198 -2.150 -0.175 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c34337_6q8l 1 . 2 . 228 . 1 1 2 ARG HB2 H -6.503 -2.090 1.319 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c34337_6q8l 1 . 2 . 229 . 1 1 2 ARG HB3 H -7.404 -0.633 0.964 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c34337_6q8l 1 . 2 . 230 . 1 1 2 ARG HD2 H -6.754 -0.934 3.490 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c34337_6q8l 1 . 2 . 231 . 1 1 2 ARG HD3 H -8.334 -0.708 4.249 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c34337_6q8l 1 . 2 . 232 . 1 1 2 ARG HE H -7.998 -3.521 4.413 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c34337_6q8l 1 . 2 . 233 . 1 1 2 ARG HG2 H -9.344 -1.302 2.291 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c34337_6q8l 1 . 2 . 234 . 1 1 2 ARG HG3 H -8.786 -2.934 2.468 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c34337_6q8l 1 . 2 . 235 . 1 1 2 ARG HH11 H -6.055 -3.814 7.169 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c34337_6q8l 1 . 2 . 236 . 1 1 2 ARG HH12 H -7.262 -4.554 6.020 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c34337_6q8l 1 . 2 . 237 . 1 1 2 ARG HH21 H -5.368 -1.808 6.876 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c34337_6q8l 1 . 2 . 238 . 1 1 2 ARG HH22 H -6.042 -0.872 5.454 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c34337_6q8l 1 . 2 . 239 . 1 1 2 ARG N N -7.946 -3.874 0.015 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c34337_6q8l 1 . 2 . 240 . 1 1 2 ARG NE N -7.488 -2.650 4.597 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c34337_6q8l 1 . 2 . 241 . 1 1 2 ARG NH1 N -6.650 -3.798 6.339 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c34337_6q8l 1 . 2 . 242 . 1 1 2 ARG NH2 N -5.948 -1.702 6.045 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c34337_6q8l 1 . 2 . 243 . 1 1 2 ARG O O -6.401 -2.327 -1.829 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c34337_6q8l 1 . 2 . 244 . 1 1 3 PRO C C -5.943 0.656 -2.885 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . c34337_6q8l 1 . 2 . 245 . 1 1 3 PRO CA C -7.270 -0.105 -3.251 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . c34337_6q8l 1 . 2 . 246 . 1 1 3 PRO CB C -8.380 0.812 -3.799 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . c34337_6q8l 1 . 2 . 247 . 1 1 3 PRO CD C -9.201 -0.025 -1.688 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . c34337_6q8l 1 . 2 . 248 . 1 1 3 PRO CG C -9.186 1.229 -2.566 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . c34337_6q8l 1 . 2 . 249 . 1 1 3 PRO HA H -7.006 -0.856 -4.023 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . c34337_6q8l 1 . 2 . 250 . 1 1 3 PRO HB2 H -7.988 1.677 -4.370 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . c34337_6q8l 1 . 2 . 251 . 1 1 3 PRO HB3 H -9.027 0.247 -4.499 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . c34337_6q8l 1 . 2 . 252 . 1 1 3 PRO HD2 H -9.179 0.248 -0.614 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . c34337_6q8l 1 . 2 . 253 . 1 1 3 PRO HD3 H -10.114 -0.627 -1.866 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . c34337_6q8l 1 . 2 . 254 . 1 1 3 PRO HG2 H -8.666 2.061 -2.057 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . c34337_6q8l 1 . 2 . 255 . 1 1 3 PRO HG3 H -10.199 1.597 -2.810 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . c34337_6q8l 1 . 2 . 256 . 1 1 3 PRO N N -7.996 -0.768 -2.118 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . c34337_6q8l 1 . 2 . 257 . 1 1 3 PRO O O -5.010 0.730 -3.685 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . c34337_6q8l 1 . 2 . 258 . 1 1 4 LEU C C -3.586 0.711 -0.506 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c34337_6q8l 1 . 2 . 259 . 1 1 4 LEU CA C -4.620 1.763 -1.064 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c34337_6q8l 1 . 2 . 260 . 1 1 4 LEU CB C -5.075 2.787 0.026 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c34337_6q8l 1 . 2 . 261 . 1 1 4 LEU CD1 C -7.516 3.549 0.092 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c34337_6q8l 1 . 2 . 262 . 1 1 4 LEU CD2 C -5.709 5.278 0.122 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c34337_6q8l 1 . 2 . 263 . 1 1 4 LEU CG C -6.095 3.888 -0.397 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c34337_6q8l 1 . 2 . 264 . 1 1 4 LEU H H -6.691 0.971 -1.099 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c34337_6q8l 1 . 2 . 265 . 1 1 4 LEU HA H -4.080 2.333 -1.848 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c34337_6q8l 1 . 2 . 266 . 1 1 4 LEU HB2 H -5.451 2.235 0.909 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c34337_6q8l 1 . 2 . 267 . 1 1 4 LEU HB3 H -4.162 3.269 0.417 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c34337_6q8l 1 . 2 . 268 . 1 1 4 LEU HD11 H -8.278 4.130 -0.460 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c34337_6q8l 1 . 2 . 269 . 1 1 4 LEU HD12 H -7.765 2.483 -0.052 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c34337_6q8l 1 . 2 . 270 . 1 1 4 LEU HD13 H -7.656 3.762 1.169 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c34337_6q8l 1 . 2 . 271 . 1 1 4 LEU HD21 H -4.747 5.609 -0.307 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c34337_6q8l 1 . 2 . 272 . 1 1 4 LEU HD22 H -6.456 6.045 -0.160 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c34337_6q8l 1 . 2 . 273 . 1 1 4 LEU HD23 H -5.609 5.304 1.223 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c34337_6q8l 1 . 2 . 274 . 1 1 4 LEU HG H -6.114 3.950 -1.506 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c34337_6q8l 1 . 2 . 275 . 1 1 4 LEU N N -5.854 1.172 -1.649 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c34337_6q8l 1 . 2 . 276 . 1 1 4 LEU O O -2.912 0.953 0.504 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c34337_6q8l 1 . 2 . 277 . 1 1 5 ASP C C -0.808 -0.743 -1.464 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c34337_6q8l 1 . 2 . 278 . 1 1 5 ASP CA C -2.214 -1.322 -1.018 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c34337_6q8l 1 . 2 . 279 . 1 1 5 ASP CB C -2.587 -2.672 -1.708 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c34337_6q8l 1 . 2 . 280 . 1 1 5 ASP CG C -2.167 -3.907 -0.906 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c34337_6q8l 1 . 2 . 281 . 1 1 5 ASP H H -3.955 -0.472 -2.072 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c34337_6q8l 1 . 2 . 282 . 1 1 5 ASP HA H -2.127 -1.504 0.070 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c34337_6q8l 1 . 2 . 283 . 1 1 5 ASP HB2 H -3.674 -2.784 -1.885 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c34337_6q8l 1 . 2 . 284 . 1 1 5 ASP HB3 H -2.149 -2.724 -2.723 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c34337_6q8l 1 . 2 . 285 . 1 1 5 ASP N N -3.382 -0.412 -1.220 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c34337_6q8l 1 . 2 . 286 . 1 1 5 ASP O O 0.242 -1.291 -1.132 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c34337_6q8l 1 . 2 . 287 . 1 1 5 ASP OD1 O -1.404 -4.740 -1.434 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c34337_6q8l 1 . 2 . 288 . 1 1 5 ASP OD2 O -2.593 -4.053 0.266 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c34337_6q8l 1 . 2 . 289 . 1 1 6 THR C C 0.656 2.560 -2.047 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . c34337_6q8l 1 . 2 . 290 . 1 1 6 THR CA C 0.425 1.116 -2.659 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . c34337_6q8l 1 . 2 . 291 . 1 1 6 THR CB C 0.514 1.063 -4.236 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . c34337_6q8l 1 . 2 . 292 . 1 1 6 THR CG2 C -0.250 -0.055 -4.982 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . c34337_6q8l 1 . 2 . 293 . 1 1 6 THR H H -1.742 0.683 -2.457 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . c34337_6q8l 1 . 2 . 294 . 1 1 6 THR HA H 1.297 0.567 -2.284 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . c34337_6q8l 1 . 2 . 295 . 1 1 6 THR HB H 1.584 0.940 -4.492 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . c34337_6q8l 1 . 2 . 296 . 1 1 6 THR HG1 H 0.718 2.951 -4.615 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . c34337_6q8l 1 . 2 . 297 . 1 1 6 THR HG21 H -1.343 0.064 -4.851 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . c34337_6q8l 1 . 2 . 298 . 1 1 6 THR HG22 H -0.063 -0.042 -6.070 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . c34337_6q8l 1 . 2 . 299 . 1 1 6 THR HG23 H 0.003 -1.061 -4.598 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . c34337_6q8l 1 . 2 . 300 . 1 1 6 THR N N -0.799 0.404 -2.171 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . c34337_6q8l 1 . 2 . 301 . 1 1 6 THR O O 1.557 3.285 -2.473 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . c34337_6q8l 1 . 2 . 302 . 1 1 6 THR OG1 O 0.067 2.275 -4.834 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . c34337_6q8l 1 . 2 . 303 . 1 1 7 VAL C C 0.649 4.030 1.097 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c34337_6q8l 1 . 2 . 304 . 1 1 7 VAL CA C -0.044 4.250 -0.292 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c34337_6q8l 1 . 2 . 305 . 1 1 7 VAL CB C -1.494 4.882 -0.241 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c34337_6q8l 1 . 2 . 306 . 1 1 7 VAL CG1 C -1.864 5.711 1.015 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c34337_6q8l 1 . 2 . 307 . 1 1 7 VAL CG2 C -1.768 5.757 -1.483 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c34337_6q8l 1 . 2 . 308 . 1 1 7 VAL H H -0.823 2.225 -0.807 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c34337_6q8l 1 . 2 . 309 . 1 1 7 VAL HA H 0.626 4.955 -0.824 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c34337_6q8l 1 . 2 . 310 . 1 1 7 VAL HB H -2.236 4.061 -0.260 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c34337_6q8l 1 . 2 . 311 . 1 1 7 VAL HG11 H -1.158 6.545 1.192 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c34337_6q8l 1 . 2 . 312 . 1 1 7 VAL HG12 H -2.879 6.143 0.957 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c34337_6q8l 1 . 2 . 313 . 1 1 7 VAL HG13 H -1.861 5.086 1.928 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c34337_6q8l 1 . 2 . 314 . 1 1 7 VAL HG21 H -2.752 6.259 -1.445 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c34337_6q8l 1 . 2 . 315 . 1 1 7 VAL HG22 H -1.008 6.552 -1.604 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c34337_6q8l 1 . 2 . 316 . 1 1 7 VAL HG23 H -1.757 5.155 -2.411 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c34337_6q8l 1 . 2 . 317 . 1 1 7 VAL N N -0.145 2.958 -1.046 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c34337_6q8l 1 . 2 . 318 . 1 1 7 VAL O O 1.649 4.677 1.412 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c34337_6q8l 1 . 2 . 319 . 1 1 8 GLN C C 2.007 1.831 3.133 . . . 1.0 . . . . . . . . . . . . A . 7 GLN C . . . . . . . . . c34337_6q8l 1 . 2 . 320 . 1 1 8 GLN CA C 0.723 2.724 3.221 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CA . . . . . . . . . c34337_6q8l 1 . 2 . 321 . 1 1 8 GLN CB C -0.417 2.066 4.065 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CB . . . . . . . . . c34337_6q8l 1 . 2 . 322 . 1 1 8 GLN CD C -0.046 3.137 6.388 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CD . . . . . . . . . c34337_6q8l 1 . 2 . 323 . 1 1 8 GLN CG C -0.978 2.989 5.177 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CG . . . . . . . . . c34337_6q8l 1 . 2 . 324 . 1 1 8 GLN H H -0.648 2.589 1.486 . . . 1.0 . . . . . . . . . . . . A . 7 GLN H . . . . . . . . . c34337_6q8l 1 . 2 . 325 . 1 1 8 GLN HA H 1.077 3.639 3.738 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HA . . . . . . . . . c34337_6q8l 1 . 2 . 326 . 1 1 8 GLN HB2 H -1.257 1.714 3.430 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB2 . . . . . . . . . c34337_6q8l 1 . 2 . 327 . 1 1 8 GLN HB3 H -0.063 1.124 4.531 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB3 . . . . . . . . . c34337_6q8l 1 . 2 . 328 . 1 1 8 GLN HE21 H -0.260 5.120 6.388 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE21 . . . . . . . . . c34337_6q8l 1 . 2 . 329 . 1 1 8 GLN HE22 H 0.882 4.347 7.606 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE22 . . . . . . . . . c34337_6q8l 1 . 2 . 330 . 1 1 8 GLN HG2 H -1.236 3.974 4.743 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG2 . . . . . . . . . c34337_6q8l 1 . 2 . 331 . 1 1 8 GLN HG3 H -1.931 2.581 5.554 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG3 . . . . . . . . . c34337_6q8l 1 . 2 . 332 . 1 1 8 GLN N N 0.102 3.129 1.928 . . . 1.0 . . . . . . . . . . . . A . 7 GLN N . . . . . . . . . c34337_6q8l 1 . 2 . 333 . 1 1 8 GLN NE2 N 0.161 4.329 6.880 . . . 1.0 . . . . . . . . . . . . A . 7 GLN NE2 . . . . . . . . . c34337_6q8l 1 . 2 . 334 . 1 1 8 GLN O O 2.858 1.877 4.022 . . . 1.0 . . . . . . . . . . . . A . 7 GLN O . . . . . . . . . c34337_6q8l 1 . 2 . 335 . 1 1 8 GLN OE1 O 0.497 2.173 6.915 . . . 1.0 . . . . . . . . . . . . A . 7 GLN OE1 . . . . . . . . . c34337_6q8l 1 . 2 . 336 . 1 1 9 ARG C C 3.332 -0.397 0.410 . . . 1.0 . . . . . . . . . . . . A . 8 ARG C . . . . . . . . . c34337_6q8l 1 . 2 . 337 . 1 1 9 ARG CA C 3.254 0.050 1.914 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CA . . . . . . . . . c34337_6q8l 1 . 2 . 338 . 1 1 9 ARG CB C 3.133 -1.137 2.913 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CB . . . . . . . . . c34337_6q8l 1 . 2 . 339 . 1 1 9 ARG CD C 2.038 -3.452 2.577 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CD . . . . . . . . . c34337_6q8l 1 . 2 . 340 . 1 1 9 ARG CG C 1.812 -1.952 2.823 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CG . . . . . . . . . c34337_6q8l 1 . 2 . 341 . 1 1 9 ARG CZ C 0.189 -4.464 3.922 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CZ . . . . . . . . . c34337_6q8l 1 . 2 . 342 . 1 1 9 ARG H H 1.385 1.103 1.392 . . . 1.0 . . . . . . . . . . . . A . 8 ARG H . . . . . . . . . c34337_6q8l 1 . 2 . 343 . 1 1 9 ARG HA H 4.205 0.564 2.154 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HA . . . . . . . . . c34337_6q8l 1 . 2 . 344 . 1 1 9 ARG HB2 H 4.020 -1.785 2.777 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB2 . . . . . . . . . c34337_6q8l 1 . 2 . 345 . 1 1 9 ARG HB3 H 3.249 -0.743 3.942 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB3 . . . . . . . . . c34337_6q8l 1 . 2 . 346 . 1 1 9 ARG HD2 H 2.405 -3.591 1.535 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD2 . . . . . . . . . c34337_6q8l 1 . 2 . 347 . 1 1 9 ARG HD3 H 2.851 -3.863 3.212 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD3 . . . . . . . . . c34337_6q8l 1 . 2 . 348 . 1 1 9 ARG HE H 0.216 -4.494 1.928 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HE . . . . . . . . . c34337_6q8l 1 . 2 . 349 . 1 1 9 ARG HG2 H 1.205 -1.738 3.721 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG2 . . . . . . . . . c34337_6q8l 1 . 2 . 350 . 1 1 9 ARG HG3 H 1.171 -1.577 1.994 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG3 . . . . . . . . . c34337_6q8l 1 . 2 . 351 . 1 1 9 ARG HH11 H -1.334 -5.342 4.820 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH11 . . . . . . . . . c34337_6q8l 1 . 2 . 352 . 1 1 9 ARG HH12 H -1.273 -5.370 2.986 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH12 . . . . . . . . . c34337_6q8l 1 . 2 . 353 . 1 1 9 ARG HH21 H 0.182 -4.245 5.934 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH21 . . . . . . . . . c34337_6q8l 1 . 2 . 354 . 1 1 9 ARG HH22 H 1.531 -3.506 4.936 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH22 . . . . . . . . . c34337_6q8l 1 . 2 . 355 . 1 1 9 ARG N N 2.122 0.991 2.096 . . . 1.0 . . . . . . . . . . . . A . 8 ARG N . . . . . . . . . c34337_6q8l 1 . 2 . 356 . 1 1 9 ARG NE N 0.760 -4.198 2.755 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NE . . . . . . . . . c34337_6q8l 1 . 2 . 357 . 1 1 9 ARG NH1 N -0.920 -5.121 3.917 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH1 . . . . . . . . . c34337_6q8l 1 . 2 . 358 . 1 1 9 ARG NH2 N 0.688 -4.074 5.066 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH2 . . . . . . . . . c34337_6q8l 1 . 2 . 359 . 1 1 9 ARG O O 2.887 -1.508 0.098 . . . 1.0 . . . . . . . . . . . . A . 8 ARG O . . . . . . . . . c34337_6q8l 1 . 2 . 360 . 1 1 10 PRO C C 5.013 -1.309 -2.136 . . . 1.0 . . . . . . . . . . . . A . 9 PRO C . . . . . . . . . c34337_6q8l 1 . 2 . 361 . 1 1 10 PRO CA C 4.025 -0.117 -1.964 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CA . . . . . . . . . c34337_6q8l 1 . 2 . 362 . 1 1 10 PRO CB C 4.432 1.192 -2.677 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CB . . . . . . . . . c34337_6q8l 1 . 2 . 363 . 1 1 10 PRO CD C 4.473 1.712 -0.329 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CD . . . . . . . . . c34337_6q8l 1 . 2 . 364 . 1 1 10 PRO CG C 5.228 1.973 -1.631 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CG . . . . . . . . . c34337_6q8l 1 . 2 . 365 . 1 1 10 PRO HA H 3.054 -0.485 -2.342 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HA . . . . . . . . . c34337_6q8l 1 . 2 . 366 . 1 1 10 PRO HB2 H 5.001 1.036 -3.613 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HB2 . . . . . . . . . c34337_6q8l 1 . 2 . 367 . 1 1 10 PRO HB3 H 3.529 1.765 -2.964 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HB3 . . . . . . . . . c34337_6q8l 1 . 2 . 368 . 1 1 10 PRO HD2 H 5.160 1.748 0.537 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HD2 . . . . . . . . . c34337_6q8l 1 . 2 . 369 . 1 1 10 PRO HD3 H 3.676 2.467 -0.164 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HD3 . . . . . . . . . c34337_6q8l 1 . 2 . 370 . 1 1 10 PRO HG2 H 6.260 1.574 -1.558 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HG2 . . . . . . . . . c34337_6q8l 1 . 2 . 371 . 1 1 10 PRO HG3 H 5.312 3.051 -1.865 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HG3 . . . . . . . . . c34337_6q8l 1 . 2 . 372 . 1 1 10 PRO N N 3.888 0.375 -0.565 . . . 1.0 . . . . . . . . . . . . A . 9 PRO N . . . . . . . . . c34337_6q8l 1 . 2 . 373 . 1 1 10 PRO O O 5.672 -1.772 -1.195 . . . 1.0 . . . . . . . . . . . . A . 9 PRO O . . . . . . . . . c34337_6q8l 1 . 2 . 374 . 1 1 11 LYS C C 7.741 -2.079 -3.808 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . c34337_6q8l 1 . 2 . 375 . 1 1 11 LYS CA C 6.287 -2.702 -3.729 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . c34337_6q8l 1 . 2 . 376 . 1 1 11 LYS CB C 5.844 -3.478 -5.006 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . c34337_6q8l 1 . 2 . 377 . 1 1 11 LYS CD C 6.028 -5.770 -6.116 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . c34337_6q8l 1 . 2 . 378 . 1 1 11 LYS CE C 5.496 -7.220 -6.093 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . c34337_6q8l 1 . 2 . 379 . 1 1 11 LYS CG C 5.764 -5.010 -4.803 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . c34337_6q8l 1 . 2 . 380 . 1 1 11 LYS H H 4.658 -1.227 -4.084 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . c34337_6q8l 1 . 2 . 381 . 1 1 11 LYS HA H 6.369 -3.432 -2.897 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . c34337_6q8l 1 . 2 . 382 . 1 1 11 LYS HB2 H 4.862 -3.139 -5.397 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . c34337_6q8l 1 . 2 . 383 . 1 1 11 LYS HB3 H 6.531 -3.222 -5.836 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . c34337_6q8l 1 . 2 . 384 . 1 1 11 LYS HD2 H 5.621 -5.175 -6.960 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . c34337_6q8l 1 . 2 . 385 . 1 1 11 LYS HD3 H 7.124 -5.771 -6.300 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . c34337_6q8l 1 . 2 . 386 . 1 1 11 LYS HE2 H 6.329 -7.927 -5.861 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . c34337_6q8l 1 . 2 . 387 . 1 1 11 LYS HE3 H 4.775 -7.376 -5.257 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . c34337_6q8l 1 . 2 . 388 . 1 1 11 LYS HG2 H 6.489 -5.354 -4.035 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . c34337_6q8l 1 . 2 . 389 . 1 1 11 LYS HG3 H 4.765 -5.243 -4.377 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . c34337_6q8l 1 . 2 . 390 . 1 1 11 LYS HZ1 H 4.107 -6.843 -7.625 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . c34337_6q8l 1 . 2 . 391 . 1 1 11 LYS HZ2 H 5.511 -7.454 -8.196 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . c34337_6q8l 1 . 2 . 392 . 1 1 11 LYS HZ3 H 4.415 -8.447 -7.464 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . c34337_6q8l 1 . 2 . 393 . 1 1 11 LYS N N 5.179 -1.763 -3.383 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . c34337_6q8l 1 . 2 . 394 . 1 1 11 LYS NZ N 4.855 -7.518 -7.405 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . c34337_6q8l 1 . 2 . 395 . 1 1 11 LYS O O 8.583 -2.528 -4.587 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . c34337_6q8l 1 . 2 . 396 . 1 1 12 GLY C C 9.848 -0.561 -1.154 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . c34337_6q8l 1 . 2 . 397 . 1 1 12 GLY CA C 9.421 -0.615 -2.649 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . c34337_6q8l 1 . 2 . 398 . 1 1 12 GLY H H 7.253 -0.917 -2.299 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . c34337_6q8l 1 . 2 . 399 . 1 1 12 GLY HA2 H 10.188 -1.195 -3.195 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . c34337_6q8l 1 . 2 . 400 . 1 1 12 GLY HA3 H 9.512 0.412 -3.047 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . c34337_6q8l 1 . 2 . 401 . 1 1 12 GLY N N 8.039 -1.099 -2.940 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . c34337_6q8l 1 . 2 . 402 . 1 1 12 GLY O O 10.795 0.151 -0.828 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . c34337_6q8l 1 . 2 . 403 . 1 1 13 TYR C C 9.714 -2.884 1.605 . . . 1.0 . . . . . . . . . . . . A . 12 TYR C . . . . . . . . . c34337_6q8l 1 . 2 . 404 . 1 1 13 TYR CA C 9.505 -1.389 1.191 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CA . . . . . . . . . c34337_6q8l 1 . 2 . 405 . 1 1 13 TYR CB C 8.401 -0.637 2.010 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CB . . . . . . . . . c34337_6q8l 1 . 2 . 406 . 1 1 13 TYR CD1 C 8.621 1.892 1.781 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD1 . . . . . . . . . c34337_6q8l 1 . 2 . 407 . 1 1 13 TYR CD2 C 9.413 0.842 3.807 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD2 . . . . . . . . . c34337_6q8l 1 . 2 . 408 . 1 1 13 TYR CE1 C 9.009 3.133 2.281 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE1 . . . . . . . . . c34337_6q8l 1 . 2 . 409 . 1 1 13 TYR CE2 C 9.806 2.083 4.302 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE2 . . . . . . . . . c34337_6q8l 1 . 2 . 410 . 1 1 13 TYR CG C 8.822 0.736 2.545 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CG . . . . . . . . . c34337_6q8l 1 . 2 . 411 . 1 1 13 TYR CZ C 9.606 3.230 3.531 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CZ . . . . . . . . . c34337_6q8l 1 . 2 . 412 . 1 1 13 TYR H H 8.407 -1.835 -0.684 . . . 1.0 . . . . . . . . . . . . A . 12 TYR H . . . . . . . . . c34337_6q8l 1 . 2 . 413 . 1 1 13 TYR HA H 10.490 -0.913 1.388 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HA . . . . . . . . . c34337_6q8l 1 . 2 . 414 . 1 1 13 TYR HB2 H 7.459 -0.539 1.433 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB2 . . . . . . . . . c34337_6q8l 1 . 2 . 415 . 1 1 13 TYR HB3 H 8.087 -1.249 2.877 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB3 . . . . . . . . . c34337_6q8l 1 . 2 . 416 . 1 1 13 TYR HD1 H 8.185 1.829 0.796 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD1 . . . . . . . . . c34337_6q8l 1 . 2 . 417 . 1 1 13 TYR HD2 H 9.578 -0.042 4.411 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD2 . . . . . . . . . c34337_6q8l 1 . 2 . 418 . 1 1 13 TYR HE1 H 8.869 4.029 1.689 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE1 . . . . . . . . . c34337_6q8l 1 . 2 . 419 . 1 1 13 TYR HE2 H 10.261 2.155 5.277 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE2 . . . . . . . . . c34337_6q8l 1 . 2 . 420 . 1 1 13 TYR HH H 10.801 4.315 4.545 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HH . . . . . . . . . c34337_6q8l 1 . 2 . 421 . 1 1 13 TYR N N 9.173 -1.304 -0.261 . . . 1.0 . . . . . . . . . . . . A . 12 TYR N . . . . . . . . . c34337_6q8l 1 . 2 . 422 . 1 1 13 TYR O O 10.826 -3.346 1.830 . . . 1.0 . . . . . . . . . . . . A . 12 TYR O . . . . . . . . . c34337_6q8l 1 . 2 . 423 . 1 1 13 TYR OH O 10.035 4.446 3.983 . . . 1.0 . . . . . . . . . . . . A . 12 TYR OH . . . . . . . . . c34337_6q8l 1 . 2 . 424 . 1 1 14 NH2 HN1 H 8.970 -4.645 2.063 . . . 1.0 . . . . . . . . . . . . A . 13 NH2 HN1 . . . . . . . . . c34337_6q8l 1 . 2 . 425 . 1 1 14 NH2 HN2 H 7.759 -3.321 1.615 . . . 1.0 . . . . . . . . . . . . A . 13 NH2 HN2 . . . . . . . . . c34337_6q8l 1 . 2 . 426 . 1 1 14 NH2 N N 8.694 -3.716 1.735 . . . 1.0 . . . . . . . . . . . . A . 13 NH2 N . . . . . . . . . c34337_6q8l 1 . 3 . 427 . 1 1 1 ACE C C -10.129 -3.780 -0.282 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c34337_6q8l 1 . 3 . 428 . 1 1 1 ACE CH3 C -10.943 -4.946 -0.796 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c34337_6q8l 1 . 3 . 429 . 1 1 1 ACE H1 H -10.951 -4.967 -1.900 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c34337_6q8l 1 . 3 . 430 . 1 1 1 ACE H2 H -10.556 -5.913 -0.425 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c34337_6q8l 1 . 3 . 431 . 1 1 1 ACE H3 H -11.992 -4.858 -0.459 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . c34337_6q8l 1 . 3 . 432 . 1 1 1 ACE O O -10.678 -2.838 0.289 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c34337_6q8l 1 . 3 . 433 . 1 1 2 ARG C C -7.302 -2.108 -1.486 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c34337_6q8l 1 . 3 . 434 . 1 1 2 ARG CA C -7.888 -2.739 -0.173 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c34337_6q8l 1 . 3 . 435 . 1 1 2 ARG CB C -6.801 -3.211 0.844 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c34337_6q8l 1 . 3 . 436 . 1 1 2 ARG CD C -5.260 -2.414 2.761 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c34337_6q8l 1 . 3 . 437 . 1 1 2 ARG CG C -6.585 -2.206 2.002 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c34337_6q8l 1 . 3 . 438 . 1 1 2 ARG CZ C -5.810 -2.031 5.186 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c34337_6q8l 1 . 3 . 439 . 1 1 2 ARG H H -8.530 -4.662 -1.070 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H . . . . . . . . . c34337_6q8l 1 . 3 . 440 . 1 1 2 ARG HA H -8.456 -1.943 0.344 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c34337_6q8l 1 . 3 . 441 . 1 1 2 ARG HB2 H -7.066 -4.192 1.286 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c34337_6q8l 1 . 3 . 442 . 1 1 2 ARG HB3 H -5.842 -3.411 0.324 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c34337_6q8l 1 . 3 . 443 . 1 1 2 ARG HD2 H -5.043 -3.488 2.930 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c34337_6q8l 1 . 3 . 444 . 1 1 2 ARG HD3 H -4.423 -2.075 2.112 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c34337_6q8l 1 . 3 . 445 . 1 1 2 ARG HE H -4.805 -0.716 4.084 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c34337_6q8l 1 . 3 . 446 . 1 1 2 ARG HG2 H -6.612 -1.164 1.626 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c34337_6q8l 1 . 3 . 447 . 1 1 2 ARG HG3 H -7.454 -2.281 2.687 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c34337_6q8l 1 . 3 . 448 . 1 1 2 ARG HH11 H -6.169 -1.567 7.083 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c34337_6q8l 1 . 3 . 449 . 1 1 2 ARG HH12 H -5.225 -0.363 6.097 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c34337_6q8l 1 . 3 . 450 . 1 1 2 ARG HH21 H -6.880 -3.393 6.223 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c34337_6q8l 1 . 3 . 451 . 1 1 2 ARG HH22 H -6.511 -3.706 4.456 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c34337_6q8l 1 . 3 . 452 . 1 1 2 ARG N N -8.816 -3.850 -0.514 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c34337_6q8l 1 . 3 . 453 . 1 1 2 ARG NE N -5.250 -1.638 4.038 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c34337_6q8l 1 . 3 . 454 . 1 1 2 ARG NH1 N -5.723 -1.248 6.221 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c34337_6q8l 1 . 3 . 455 . 1 1 2 ARG NH2 N -6.456 -3.165 5.322 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c34337_6q8l 1 . 3 . 456 . 1 1 2 ARG O O -6.278 -2.605 -1.969 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c34337_6q8l 1 . 3 . 457 . 1 1 3 PRO C C -5.912 0.535 -2.791 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . c34337_6q8l 1 . 3 . 458 . 1 1 3 PRO CA C -7.184 -0.289 -3.207 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . c34337_6q8l 1 . 3 . 459 . 1 1 3 PRO CB C -8.343 0.562 -3.756 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . c34337_6q8l 1 . 3 . 460 . 1 1 3 PRO CD C -9.110 -0.358 -1.644 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . c34337_6q8l 1 . 3 . 461 . 1 1 3 PRO CG C -9.188 0.892 -2.525 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . c34337_6q8l 1 . 3 . 462 . 1 1 3 PRO HA H -6.866 -1.004 -3.992 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . c34337_6q8l 1 . 3 . 463 . 1 1 3 PRO HB2 H -8.003 1.467 -4.298 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . c34337_6q8l 1 . 3 . 464 . 1 1 3 PRO HB3 H -8.944 -0.027 -4.475 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . c34337_6q8l 1 . 3 . 465 . 1 1 3 PRO HD2 H -9.085 -0.073 -0.575 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . c34337_6q8l 1 . 3 . 466 . 1 1 3 PRO HD3 H -9.985 -1.018 -1.799 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . c34337_6q8l 1 . 3 . 467 . 1 1 3 PRO HG2 H -8.725 1.748 -2.011 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . c34337_6q8l 1 . 3 . 468 . 1 1 3 PRO HG3 H -10.224 1.193 -2.764 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . c34337_6q8l 1 . 3 . 469 . 1 1 3 PRO N N -7.866 -1.021 -2.096 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . c34337_6q8l 1 . 3 . 470 . 1 1 3 PRO O O -4.964 0.648 -3.571 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . c34337_6q8l 1 . 3 . 471 . 1 1 4 LEU C C -3.606 0.634 -0.376 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c34337_6q8l 1 . 3 . 472 . 1 1 4 LEU CA C -4.662 1.667 -0.935 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c34337_6q8l 1 . 3 . 473 . 1 1 4 LEU CB C -5.133 2.671 0.164 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c34337_6q8l 1 . 3 . 474 . 1 1 4 LEU CD1 C -7.623 3.359 0.340 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c34337_6q8l 1 . 3 . 475 . 1 1 4 LEU CD2 C -5.843 5.142 0.273 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c34337_6q8l 1 . 3 . 476 . 1 1 4 LEU CG C -6.220 3.732 -0.204 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c34337_6q8l 1 . 3 . 477 . 1 1 4 LEU H H -6.701 0.803 -0.996 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c34337_6q8l 1 . 3 . 478 . 1 1 4 LEU HA H -4.132 2.258 -1.709 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c34337_6q8l 1 . 3 . 479 . 1 1 4 LEU HB2 H -5.444 2.103 1.062 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c34337_6q8l 1 . 3 . 480 . 1 1 4 LEU HB3 H -4.227 3.195 0.522 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c34337_6q8l 1 . 3 . 481 . 1 1 4 LEU HD11 H -7.614 2.519 1.057 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c34337_6q8l 1 . 3 . 482 . 1 1 4 LEU HD12 H -8.135 4.194 0.852 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c34337_6q8l 1 . 3 . 483 . 1 1 4 LEU HD13 H -8.300 3.070 -0.476 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c34337_6q8l 1 . 3 . 484 . 1 1 4 LEU HD21 H -5.809 5.212 1.376 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c34337_6q8l 1 . 3 . 485 . 1 1 4 LEU HD22 H -4.857 5.454 -0.114 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c34337_6q8l 1 . 3 . 486 . 1 1 4 LEU HD23 H -6.573 5.894 -0.084 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c34337_6q8l 1 . 3 . 487 . 1 1 4 LEU HG H -6.287 3.796 -1.311 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c34337_6q8l 1 . 3 . 488 . 1 1 4 LEU N N -5.870 1.044 -1.544 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c34337_6q8l 1 . 3 . 489 . 1 1 4 LEU O O -2.957 0.876 0.648 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c34337_6q8l 1 . 3 . 490 . 1 1 5 ASP C C -0.783 -0.792 -1.334 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c34337_6q8l 1 . 3 . 491 . 1 1 5 ASP CA C -2.180 -1.368 -0.872 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c34337_6q8l 1 . 3 . 492 . 1 1 5 ASP CB C -2.537 -2.724 -1.548 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c34337_6q8l 1 . 3 . 493 . 1 1 5 ASP CG C -1.959 -3.940 -0.825 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c34337_6q8l 1 . 3 . 494 . 1 1 5 ASP H H -3.908 -0.530 -1.969 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c34337_6q8l 1 . 3 . 495 . 1 1 5 ASP HA H -2.100 -1.536 0.220 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c34337_6q8l 1 . 3 . 496 . 1 1 5 ASP HB2 H -3.629 -2.902 -1.593 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c34337_6q8l 1 . 3 . 497 . 1 1 5 ASP HB3 H -2.215 -2.733 -2.607 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c34337_6q8l 1 . 3 . 498 . 1 1 5 ASP N N -3.356 -0.471 -1.103 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c34337_6q8l 1 . 3 . 499 . 1 1 5 ASP O O 0.266 -1.356 -1.026 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c34337_6q8l 1 . 3 . 500 . 1 1 5 ASP OD1 O -1.116 -4.651 -1.411 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c34337_6q8l 1 . 3 . 501 . 1 1 5 ASP OD2 O -2.352 -4.192 0.339 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c34337_6q8l 1 . 3 . 502 . 1 1 6 THR C C 0.641 2.511 -2.014 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . c34337_6q8l 1 . 3 . 503 . 1 1 6 THR CA C 0.425 1.050 -2.581 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . c34337_6q8l 1 . 3 . 504 . 1 1 6 THR CB C 0.500 0.948 -4.160 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . c34337_6q8l 1 . 3 . 505 . 1 1 6 THR CG2 C -0.469 -0.005 -4.898 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . c34337_6q8l 1 . 3 . 506 . 1 1 6 THR H H -1.736 0.653 -2.278 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . c34337_6q8l 1 . 3 . 507 . 1 1 6 THR HA H 1.307 0.522 -2.193 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . c34337_6q8l 1 . 3 . 508 . 1 1 6 THR HB H 1.522 0.603 -4.409 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . c34337_6q8l 1 . 3 . 509 . 1 1 6 THR HG1 H 0.868 2.843 -4.281 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . c34337_6q8l 1 . 3 . 510 . 1 1 6 THR HG21 H -0.306 -0.008 -5.990 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . c34337_6q8l 1 . 3 . 511 . 1 1 6 THR HG22 H -0.371 -1.047 -4.538 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . c34337_6q8l 1 . 3 . 512 . 1 1 6 THR HG23 H -1.522 0.293 -4.731 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . c34337_6q8l 1 . 3 . 513 . 1 1 6 THR N N -0.785 0.350 -2.047 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . c34337_6q8l 1 . 3 . 514 . 1 1 6 THR O O 1.487 3.251 -2.523 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . c34337_6q8l 1 . 3 . 515 . 1 1 6 THR OG1 O 0.326 2.219 -4.784 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . c34337_6q8l 1 . 3 . 516 . 1 1 7 VAL C C 0.694 4.064 1.084 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c34337_6q8l 1 . 3 . 517 . 1 1 7 VAL CA C -0.037 4.234 -0.287 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c34337_6q8l 1 . 3 . 518 . 1 1 7 VAL CB C -1.496 4.840 -0.228 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c34337_6q8l 1 . 3 . 519 . 1 1 7 VAL CG1 C -1.858 5.683 1.021 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c34337_6q8l 1 . 3 . 520 . 1 1 7 VAL CG2 C -1.795 5.687 -1.483 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c34337_6q8l 1 . 3 . 521 . 1 1 7 VAL H H -0.774 2.175 -0.698 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c34337_6q8l 1 . 3 . 522 . 1 1 7 VAL HA H 0.607 4.930 -0.862 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c34337_6q8l 1 . 3 . 523 . 1 1 7 VAL HB H -2.231 4.011 -0.225 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c34337_6q8l 1 . 3 . 524 . 1 1 7 VAL HG11 H -2.853 6.157 0.944 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c34337_6q8l 1 . 3 . 525 . 1 1 7 VAL HG12 H -1.898 5.053 1.930 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c34337_6q8l 1 . 3 . 526 . 1 1 7 VAL HG13 H -1.122 6.484 1.215 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c34337_6q8l 1 . 3 . 527 . 1 1 7 VAL HG21 H -1.676 5.096 -2.410 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c34337_6q8l 1 . 3 . 528 . 1 1 7 VAL HG22 H -2.830 6.078 -1.487 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c34337_6q8l 1 . 3 . 529 . 1 1 7 VAL HG23 H -1.118 6.559 -1.561 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c34337_6q8l 1 . 3 . 530 . 1 1 7 VAL N N -0.122 2.914 -0.985 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c34337_6q8l 1 . 3 . 531 . 1 1 7 VAL O O 1.703 4.726 1.338 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c34337_6q8l 1 . 3 . 532 . 1 1 8 GLN C C 2.146 1.947 3.115 . . . 1.0 . . . . . . . . . . . . A . 7 GLN C . . . . . . . . . c34337_6q8l 1 . 3 . 533 . 1 1 8 GLN CA C 0.852 2.816 3.236 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CA . . . . . . . . . c34337_6q8l 1 . 3 . 534 . 1 1 8 GLN CB C -0.219 2.131 4.138 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CB . . . . . . . . . c34337_6q8l 1 . 3 . 535 . 1 1 8 GLN CD C -1.498 2.350 6.378 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CD . . . . . . . . . c34337_6q8l 1 . 3 . 536 . 1 1 8 GLN CG C -0.819 3.074 5.214 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CG . . . . . . . . . c34337_6q8l 1 . 3 . 537 . 1 1 8 GLN H H -0.603 2.640 1.581 . . . 1.0 . . . . . . . . . . . . A . 7 GLN H . . . . . . . . . c34337_6q8l 1 . 3 . 538 . 1 1 8 GLN HA H 1.196 3.752 3.722 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HA . . . . . . . . . c34337_6q8l 1 . 3 . 539 . 1 1 8 GLN HB2 H -1.044 1.677 3.550 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB2 . . . . . . . . . c34337_6q8l 1 . 3 . 540 . 1 1 8 GLN HB3 H 0.228 1.252 4.644 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB3 . . . . . . . . . c34337_6q8l 1 . 3 . 541 . 1 1 8 GLN HE21 H 0.281 1.747 7.035 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE21 . . . . . . . . . c34337_6q8l 1 . 3 . 542 . 1 1 8 GLN HE22 H -1.212 1.269 8.008 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE22 . . . . . . . . . c34337_6q8l 1 . 3 . 543 . 1 1 8 GLN HG2 H -0.039 3.741 5.631 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG2 . . . . . . . . . c34337_6q8l 1 . 3 . 544 . 1 1 8 GLN HG3 H -1.548 3.760 4.743 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG3 . . . . . . . . . c34337_6q8l 1 . 3 . 545 . 1 1 8 GLN N N 0.181 3.182 1.960 . . . 1.0 . . . . . . . . . . . . A . 7 GLN N . . . . . . . . . c34337_6q8l 1 . 3 . 546 . 1 1 8 GLN NE2 N -0.721 1.743 7.246 . . . 1.0 . . . . . . . . . . . . A . 7 GLN NE2 . . . . . . . . . c34337_6q8l 1 . 3 . 547 . 1 1 8 GLN O O 3.030 2.049 3.969 . . . 1.0 . . . . . . . . . . . . A . 7 GLN O . . . . . . . . . c34337_6q8l 1 . 3 . 548 . 1 1 8 GLN OE1 O -2.715 2.315 6.516 . . . 1.0 . . . . . . . . . . . . A . 7 GLN OE1 . . . . . . . . . c34337_6q8l 1 . 3 . 549 . 1 1 9 ARG C C 3.390 -0.369 0.443 . . . 1.0 . . . . . . . . . . . . A . 8 ARG C . . . . . . . . . c34337_6q8l 1 . 3 . 550 . 1 1 9 ARG CA C 3.353 0.115 1.934 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CA . . . . . . . . . c34337_6q8l 1 . 3 . 551 . 1 1 9 ARG CB C 3.269 -1.040 2.973 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CB . . . . . . . . . c34337_6q8l 1 . 3 . 552 . 1 1 9 ARG CD C 2.207 -3.383 2.704 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CD . . . . . . . . . c34337_6q8l 1 . 3 . 553 . 1 1 9 ARG CG C 1.964 -1.883 2.952 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CG . . . . . . . . . c34337_6q8l 1 . 3 . 554 . 1 1 9 ARG CZ C 0.528 -4.467 4.210 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CZ . . . . . . . . . c34337_6q8l 1 . 3 . 555 . 1 1 9 ARG H H 1.450 1.123 1.443 . . . 1.0 . . . . . . . . . . . . A . 8 ARG H . . . . . . . . . c34337_6q8l 1 . 3 . 556 . 1 1 9 ARG HA H 4.307 0.638 2.138 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HA . . . . . . . . . c34337_6q8l 1 . 3 . 557 . 1 1 9 ARG HB2 H 4.163 -1.681 2.846 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB2 . . . . . . . . . c34337_6q8l 1 . 3 . 558 . 1 1 9 ARG HB3 H 3.398 -0.611 3.986 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB3 . . . . . . . . . c34337_6q8l 1 . 3 . 559 . 1 1 9 ARG HD2 H 2.504 -3.530 1.644 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD2 . . . . . . . . . c34337_6q8l 1 . 3 . 560 . 1 1 9 ARG HD3 H 3.073 -3.764 3.285 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD3 . . . . . . . . . c34337_6q8l 1 . 3 . 561 . 1 1 9 ARG HE H 0.372 -4.481 2.216 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HE . . . . . . . . . c34337_6q8l 1 . 3 . 562 . 1 1 9 ARG HG2 H 1.404 -1.694 3.886 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG2 . . . . . . . . . c34337_6q8l 1 . 3 . 563 . 1 1 9 ARG HG3 H 1.271 -1.522 2.162 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG3 . . . . . . . . . c34337_6q8l 1 . 3 . 564 . 1 1 9 ARG HH11 H -0.889 -5.373 5.256 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH11 . . . . . . . . . c34337_6q8l 1 . 3 . 565 . 1 1 9 ARG HH12 H -1.018 -5.421 3.433 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH12 . . . . . . . . . c34337_6q8l 1 . 3 . 566 . 1 1 9 ARG HH21 H 0.729 -4.318 6.219 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH21 . . . . . . . . . c34337_6q8l 1 . 3 . 567 . 1 1 9 ARG HH22 H 1.968 -3.524 5.126 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH22 . . . . . . . . . c34337_6q8l 1 . 3 . 568 . 1 1 9 ARG N N 2.227 1.063 2.110 . . . 1.0 . . . . . . . . . . . . A . 8 ARG N . . . . . . . . . c34337_6q8l 1 . 3 . 569 . 1 1 9 ARG NE N 0.974 -4.166 2.988 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NE . . . . . . . . . c34337_6q8l 1 . 3 . 570 . 1 1 9 ARG NH1 N -0.570 -5.151 4.312 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH1 . . . . . . . . . c34337_6q8l 1 . 3 . 571 . 1 1 9 ARG NH2 N 1.136 -4.091 5.311 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH2 . . . . . . . . . c34337_6q8l 1 . 3 . 572 . 1 1 9 ARG O O 2.920 -1.477 0.166 . . . 1.0 . . . . . . . . . . . . A . 8 ARG O . . . . . . . . . c34337_6q8l 1 . 3 . 573 . 1 1 10 PRO C C 5.054 -1.326 -2.116 . . . 1.0 . . . . . . . . . . . . A . 9 PRO C . . . . . . . . . c34337_6q8l 1 . 3 . 574 . 1 1 10 PRO CA C 4.051 -0.146 -1.950 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CA . . . . . . . . . c34337_6q8l 1 . 3 . 575 . 1 1 10 PRO CB C 4.428 1.150 -2.705 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CB . . . . . . . . . c34337_6q8l 1 . 3 . 576 . 1 1 10 PRO CD C 4.520 1.721 -0.372 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CD . . . . . . . . . c34337_6q8l 1 . 3 . 577 . 1 1 10 PRO CG C 5.240 1.965 -1.697 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CG . . . . . . . . . c34337_6q8l 1 . 3 . 578 . 1 1 10 PRO HA H 3.076 -0.530 -2.302 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HA . . . . . . . . . c34337_6q8l 1 . 3 . 579 . 1 1 10 PRO HB2 H 4.979 0.976 -3.648 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HB2 . . . . . . . . . c34337_6q8l 1 . 3 . 580 . 1 1 10 PRO HB3 H 3.514 1.707 -2.986 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HB3 . . . . . . . . . c34337_6q8l 1 . 3 . 581 . 1 1 10 PRO HD2 H 5.231 1.776 0.475 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HD2 . . . . . . . . . c34337_6q8l 1 . 3 . 582 . 1 1 10 PRO HD3 H 3.722 2.471 -0.201 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HD3 . . . . . . . . . c34337_6q8l 1 . 3 . 583 . 1 1 10 PRO HG2 H 6.277 1.580 -1.643 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HG2 . . . . . . . . . c34337_6q8l 1 . 3 . 584 . 1 1 10 PRO HG3 H 5.302 3.038 -1.957 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HG3 . . . . . . . . . c34337_6q8l 1 . 3 . 585 . 1 1 10 PRO N N 3.938 0.374 -0.560 . . . 1.0 . . . . . . . . . . . . A . 9 PRO N . . . . . . . . . c34337_6q8l 1 . 3 . 586 . 1 1 10 PRO O O 5.753 -1.738 -1.181 . . . 1.0 . . . . . . . . . . . . A . 9 PRO O . . . . . . . . . c34337_6q8l 1 . 3 . 587 . 1 1 11 LYS C C 7.739 -2.061 -3.856 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . c34337_6q8l 1 . 3 . 588 . 1 1 11 LYS CA C 6.314 -2.732 -3.719 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . c34337_6q8l 1 . 3 . 589 . 1 1 11 LYS CB C 5.852 -3.561 -4.959 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . c34337_6q8l 1 . 3 . 590 . 1 1 11 LYS CD C 5.773 -5.976 -5.798 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . c34337_6q8l 1 . 3 . 591 . 1 1 11 LYS CE C 5.316 -7.414 -5.509 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . c34337_6q8l 1 . 3 . 592 . 1 1 11 LYS CG C 5.446 -5.021 -4.634 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . c34337_6q8l 1 . 3 . 593 . 1 1 11 LYS H H 4.627 -1.332 -4.060 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . c34337_6q8l 1 . 3 . 594 . 1 1 11 LYS HA H 6.457 -3.438 -2.876 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . c34337_6q8l 1 . 3 . 595 . 1 1 11 LYS HB2 H 5.019 -3.074 -5.508 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . c34337_6q8l 1 . 3 . 596 . 1 1 11 LYS HB3 H 6.658 -3.559 -5.718 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . c34337_6q8l 1 . 3 . 597 . 1 1 11 LYS HD2 H 5.312 -5.591 -6.730 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . c34337_6q8l 1 . 3 . 598 . 1 1 11 LYS HD3 H 6.870 -5.946 -5.972 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . c34337_6q8l 1 . 3 . 599 . 1 1 11 LYS HE2 H 5.762 -7.777 -4.557 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . c34337_6q8l 1 . 3 . 600 . 1 1 11 LYS HE3 H 4.215 -7.437 -5.342 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . c34337_6q8l 1 . 3 . 601 . 1 1 11 LYS HG2 H 5.968 -5.385 -3.726 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . c34337_6q8l 1 . 3 . 602 . 1 1 11 LYS HG3 H 4.368 -5.053 -4.375 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . c34337_6q8l 1 . 3 . 603 . 1 1 11 LYS HZ1 H 5.318 -7.954 -7.543 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . c34337_6q8l 1 . 3 . 604 . 1 1 11 LYS HZ2 H 6.726 -8.312 -6.789 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . c34337_6q8l 1 . 3 . 605 . 1 1 11 LYS HZ3 H 5.404 -9.261 -6.546 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . c34337_6q8l 1 . 3 . 606 . 1 1 11 LYS N N 5.191 -1.817 -3.355 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . c34337_6q8l 1 . 3 . 607 . 1 1 11 LYS NZ N 5.707 -8.284 -6.650 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . c34337_6q8l 1 . 3 . 608 . 1 1 11 LYS O O 8.564 -2.468 -4.679 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . c34337_6q8l 1 . 3 . 609 . 1 1 12 GLY C C 9.891 -0.492 -1.254 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . c34337_6q8l 1 . 3 . 610 . 1 1 12 GLY CA C 9.426 -0.581 -2.735 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . c34337_6q8l 1 . 3 . 611 . 1 1 12 GLY H H 7.276 -0.930 -2.314 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . c34337_6q8l 1 . 3 . 612 . 1 1 12 GLY HA2 H 10.185 -1.161 -3.292 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . c34337_6q8l 1 . 3 . 613 . 1 1 12 GLY HA3 H 9.484 0.439 -3.159 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . c34337_6q8l 1 . 3 . 614 . 1 1 12 GLY N N 8.049 -1.096 -2.975 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . c34337_6q8l 1 . 3 . 615 . 1 1 12 GLY O O 10.828 0.252 -0.969 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . c34337_6q8l 1 . 3 . 616 . 1 1 13 TYR C C 9.852 -2.749 1.564 . . . 1.0 . . . . . . . . . . . . A . 12 TYR C . . . . . . . . . c34337_6q8l 1 . 3 . 617 . 1 1 13 TYR CA C 9.615 -1.271 1.115 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CA . . . . . . . . . c34337_6q8l 1 . 3 . 618 . 1 1 13 TYR CB C 8.520 -0.507 1.935 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CB . . . . . . . . . c34337_6q8l 1 . 3 . 619 . 1 1 13 TYR CD1 C 9.579 0.999 3.677 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD1 . . . . . . . . . c34337_6q8l 1 . 3 . 620 . 1 1 13 TYR CD2 C 8.694 2.028 1.678 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD2 . . . . . . . . . c34337_6q8l 1 . 3 . 621 . 1 1 13 TYR CE1 C 9.945 2.250 4.162 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE1 . . . . . . . . . c34337_6q8l 1 . 3 . 622 . 1 1 13 TYR CE2 C 9.060 3.280 2.168 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE2 . . . . . . . . . c34337_6q8l 1 . 3 . 623 . 1 1 13 TYR CG C 8.947 0.877 2.436 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CG . . . . . . . . . c34337_6q8l 1 . 3 . 624 . 1 1 13 TYR CZ C 9.678 3.393 3.410 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CZ . . . . . . . . . c34337_6q8l 1 . 3 . 625 . 1 1 13 TYR H H 8.490 -1.795 -0.718 . . . 1.0 . . . . . . . . . . . . A . 12 TYR H . . . . . . . . . c34337_6q8l 1 . 3 . 626 . 1 1 13 TYR HA H 10.596 -0.777 1.277 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HA . . . . . . . . . c34337_6q8l 1 . 3 . 627 . 1 1 13 TYR HB2 H 7.571 -0.425 1.368 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB2 . . . . . . . . . c34337_6q8l 1 . 3 . 628 . 1 1 13 TYR HB3 H 8.218 -1.102 2.817 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB3 . . . . . . . . . c34337_6q8l 1 . 3 . 629 . 1 1 13 TYR HD1 H 9.786 0.120 4.275 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD1 . . . . . . . . . c34337_6q8l 1 . 3 . 630 . 1 1 13 TYR HD2 H 8.219 1.949 0.712 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD2 . . . . . . . . . c34337_6q8l 1 . 3 . 631 . 1 1 13 TYR HE1 H 10.428 2.342 5.123 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE1 . . . . . . . . . c34337_6q8l 1 . 3 . 632 . 1 1 13 TYR HE2 H 8.861 4.164 1.576 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE2 . . . . . . . . . c34337_6q8l 1 . 3 . 633 . 1 1 13 TYR HH H 9.635 5.299 3.353 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HH . . . . . . . . . c34337_6q8l 1 . 3 . 634 . 1 1 13 TYR N N 9.262 -1.243 -0.331 . . . 1.0 . . . . . . . . . . . . A . 12 TYR N . . . . . . . . . c34337_6q8l 1 . 3 . 635 . 1 1 13 TYR O O 10.983 -3.185 1.755 . . . 1.0 . . . . . . . . . . . . A . 12 TYR O . . . . . . . . . c34337_6q8l 1 . 3 . 636 . 1 1 13 TYR OH O 10.014 4.620 3.912 . . . 1.0 . . . . . . . . . . . . A . 12 TYR OH . . . . . . . . . c34337_6q8l 1 . 3 . 637 . 1 1 14 NH2 HN1 H 9.126 -4.513 2.078 . . . 1.0 . . . . . . . . . . . . A . 13 NH2 HN1 . . . . . . . . . c34337_6q8l 1 . 3 . 638 . 1 1 14 NH2 HN2 H 7.896 -3.209 1.636 . . . 1.0 . . . . . . . . . . . . A . 13 NH2 HN2 . . . . . . . . . c34337_6q8l 1 . 3 . 639 . 1 1 14 NH2 N N 8.842 -3.583 1.756 . . . 1.0 . . . . . . . . . . . . A . 13 NH2 N . . . . . . . . . c34337_6q8l 1 . 4 . 640 . 1 1 1 ACE C C -8.176 -5.024 -0.857 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c34337_6q8l 1 . 4 . 641 . 1 1 1 ACE CH3 C -7.627 -6.433 -0.764 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c34337_6q8l 1 . 4 . 642 . 1 1 1 ACE H1 H -8.452 -7.163 -0.834 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c34337_6q8l 1 . 4 . 643 . 1 1 1 ACE H2 H -6.936 -6.631 -1.603 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c34337_6q8l 1 . 4 . 644 . 1 1 1 ACE H3 H -7.089 -6.626 0.182 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . c34337_6q8l 1 . 4 . 645 . 1 1 1 ACE O O -9.224 -4.803 -1.463 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c34337_6q8l 1 . 4 . 646 . 1 1 2 ARG C C -7.315 -1.893 -1.571 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c34337_6q8l 1 . 4 . 647 . 1 1 2 ARG CA C -7.846 -2.639 -0.293 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c34337_6q8l 1 . 4 . 648 . 1 1 2 ARG CB C -7.363 -1.936 1.009 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c34337_6q8l 1 . 4 . 649 . 1 1 2 ARG CD C -7.528 -3.355 3.189 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c34337_6q8l 1 . 4 . 650 . 1 1 2 ARG CG C -8.165 -2.268 2.297 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c34337_6q8l 1 . 4 . 651 . 1 1 2 ARG CZ C -7.891 -5.768 3.746 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c34337_6q8l 1 . 4 . 652 . 1 1 2 ARG H H -6.556 -4.397 0.105 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H . . . . . . . . . c34337_6q8l 1 . 4 . 653 . 1 1 2 ARG HA H -8.951 -2.572 -0.317 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c34337_6q8l 1 . 4 . 654 . 1 1 2 ARG HB2 H -6.274 -2.085 1.151 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c34337_6q8l 1 . 4 . 655 . 1 1 2 ARG HB3 H -7.434 -0.839 0.869 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c34337_6q8l 1 . 4 . 656 . 1 1 2 ARG HD2 H -6.453 -3.475 2.939 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c34337_6q8l 1 . 4 . 657 . 1 1 2 ARG HD3 H -7.545 -3.001 4.242 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c34337_6q8l 1 . 4 . 658 . 1 1 2 ARG HE H -9.060 -4.764 2.486 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c34337_6q8l 1 . 4 . 659 . 1 1 2 ARG HG2 H -8.239 -1.342 2.901 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c34337_6q8l 1 . 4 . 660 . 1 1 2 ARG HG3 H -9.226 -2.489 2.058 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c34337_6q8l 1 . 4 . 661 . 1 1 2 ARG HH11 H -8.337 -7.665 4.125 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c34337_6q8l 1 . 4 . 662 . 1 1 2 ARG HH12 H -9.444 -6.758 2.999 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c34337_6q8l 1 . 4 . 663 . 1 1 2 ARG HH21 H -6.637 -6.721 5.004 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c34337_6q8l 1 . 4 . 664 . 1 1 2 ARG HH22 H -6.318 -4.966 4.592 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c34337_6q8l 1 . 4 . 665 . 1 1 2 ARG N N -7.464 -4.079 -0.247 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c34337_6q8l 1 . 4 . 666 . 1 1 2 ARG NE N -8.238 -4.661 3.088 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c34337_6q8l 1 . 4 . 667 . 1 1 2 ARG NH1 N -8.622 -6.835 3.601 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c34337_6q8l 1 . 4 . 668 . 1 1 2 ARG NH2 N -6.846 -5.840 4.534 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c34337_6q8l 1 . 4 . 669 . 1 1 2 ARG O O -6.257 -2.266 -2.090 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c34337_6q8l 1 . 4 . 670 . 1 1 3 PRO C C -6.040 0.822 -2.760 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . c34337_6q8l 1 . 4 . 671 . 1 1 3 PRO CA C -7.352 0.054 -3.156 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . c34337_6q8l 1 . 4 . 672 . 1 1 3 PRO CB C -8.535 0.979 -3.505 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . c34337_6q8l 1 . 4 . 673 . 1 1 3 PRO CD C -9.188 -0.205 -1.507 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . c34337_6q8l 1 . 4 . 674 . 1 1 3 PRO CG C -9.286 1.163 -2.185 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . c34337_6q8l 1 . 4 . 675 . 1 1 3 PRO HA H -7.110 -0.570 -4.038 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . c34337_6q8l 1 . 4 . 676 . 1 1 3 PRO HB2 H -8.222 1.939 -3.959 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . c34337_6q8l 1 . 4 . 677 . 1 1 3 PRO HB3 H -9.195 0.486 -4.244 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . c34337_6q8l 1 . 4 . 678 . 1 1 3 PRO HD2 H -9.143 -0.087 -0.408 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . c34337_6q8l 1 . 4 . 679 . 1 1 3 PRO HD3 H -10.069 -0.833 -1.741 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . c34337_6q8l 1 . 4 . 680 . 1 1 3 PRO HG2 H -8.776 1.932 -1.577 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . c34337_6q8l 1 . 4 . 681 . 1 1 3 PRO HG3 H -10.329 1.506 -2.315 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . c34337_6q8l 1 . 4 . 682 . 1 1 3 PRO N N -7.959 -0.797 -2.084 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . c34337_6q8l 1 . 4 . 683 . 1 1 3 PRO O O -5.137 0.987 -3.583 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . c34337_6q8l 1 . 4 . 684 . 1 1 4 LEU C C -3.672 0.809 -0.332 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c34337_6q8l 1 . 4 . 685 . 1 1 4 LEU CA C -4.701 1.851 -0.908 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c34337_6q8l 1 . 4 . 686 . 1 1 4 LEU CB C -5.152 2.899 0.157 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c34337_6q8l 1 . 4 . 687 . 1 1 4 LEU CD1 C -7.588 3.697 0.287 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c34337_6q8l 1 . 4 . 688 . 1 1 4 LEU CD2 C -5.740 5.407 0.057 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c34337_6q8l 1 . 4 . 689 . 1 1 4 LEU CG C -6.186 3.978 -0.294 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c34337_6q8l 1 . 4 . 690 . 1 1 4 LEU H H -6.724 0.950 -0.913 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c34337_6q8l 1 . 4 . 691 . 1 1 4 LEU HA H -4.158 2.410 -1.699 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c34337_6q8l 1 . 4 . 692 . 1 1 4 LEU HB2 H -5.522 2.364 1.053 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c34337_6q8l 1 . 4 . 693 . 1 1 4 LEU HB3 H -4.239 3.396 0.536 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c34337_6q8l 1 . 4 . 694 . 1 1 4 LEU HD11 H -7.800 2.615 0.371 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c34337_6q8l 1 . 4 . 695 . 1 1 4 LEU HD12 H -7.726 4.124 1.297 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c34337_6q8l 1 . 4 . 696 . 1 1 4 LEU HD13 H -8.379 4.122 -0.359 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c34337_6q8l 1 . 4 . 697 . 1 1 4 LEU HD21 H -5.372 5.483 1.097 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c34337_6q8l 1 . 4 . 698 . 1 1 4 LEU HD22 H -4.923 5.741 -0.608 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c34337_6q8l 1 . 4 . 699 . 1 1 4 LEU HD23 H -6.561 6.139 -0.054 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c34337_6q8l 1 . 4 . 700 . 1 1 4 LEU HG H -6.278 3.941 -1.398 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c34337_6q8l 1 . 4 . 701 . 1 1 4 LEU N N -5.927 1.236 -1.486 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c34337_6q8l 1 . 4 . 702 . 1 1 4 LEU O O -2.991 1.072 0.666 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c34337_6q8l 1 . 4 . 703 . 1 1 5 ASP C C -0.913 -0.688 -1.274 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c34337_6q8l 1 . 4 . 704 . 1 1 5 ASP CA C -2.313 -1.243 -0.794 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c34337_6q8l 1 . 4 . 705 . 1 1 5 ASP CB C -2.695 -2.603 -1.446 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c34337_6q8l 1 . 4 . 706 . 1 1 5 ASP CG C -2.118 -3.822 -0.726 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c34337_6q8l 1 . 4 . 707 . 1 1 5 ASP H H -4.054 -0.411 -1.871 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c34337_6q8l 1 . 4 . 708 . 1 1 5 ASP HA H -2.228 -1.398 0.300 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c34337_6q8l 1 . 4 . 709 . 1 1 5 ASP HB2 H -3.790 -2.768 -1.462 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c34337_6q8l 1 . 4 . 710 . 1 1 5 ASP HB3 H -2.400 -2.628 -2.512 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c34337_6q8l 1 . 4 . 711 . 1 1 5 ASP N N -3.472 -0.328 -1.027 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c34337_6q8l 1 . 4 . 712 . 1 1 5 ASP O O 0.129 -1.247 -0.932 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c34337_6q8l 1 . 4 . 713 . 1 1 5 ASP OD1 O -1.154 -4.429 -1.236 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c34337_6q8l 1 . 4 . 714 . 1 1 5 ASP OD2 O -2.636 -4.180 0.358 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c34337_6q8l 1 . 4 . 715 . 1 1 6 THR C C 0.602 2.550 -2.066 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . c34337_6q8l 1 . 4 . 716 . 1 1 6 THR CA C 0.338 1.077 -2.581 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . c34337_6q8l 1 . 4 . 717 . 1 1 6 THR CB C 0.380 0.939 -4.149 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . c34337_6q8l 1 . 4 . 718 . 1 1 6 THR CG2 C -0.234 -0.329 -4.784 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . c34337_6q8l 1 . 4 . 719 . 1 1 6 THR H H -1.836 0.739 -2.290 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . c34337_6q8l 1 . 4 . 720 . 1 1 6 THR HA H 1.206 0.525 -2.196 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . c34337_6q8l 1 . 4 . 721 . 1 1 6 THR HB H 1.446 0.956 -4.449 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . c34337_6q8l 1 . 4 . 722 . 1 1 6 THR HG1 H 0.350 2.781 -4.729 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . c34337_6q8l 1 . 4 . 723 . 1 1 6 THR HG21 H 0.203 -1.257 -4.371 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . c34337_6q8l 1 . 4 . 724 . 1 1 6 THR HG22 H -1.324 -0.379 -4.591 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . c34337_6q8l 1 . 4 . 725 . 1 1 6 THR HG23 H -0.114 -0.348 -5.881 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . c34337_6q8l 1 . 4 . 726 . 1 1 6 THR N N -0.895 0.426 -2.034 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . c34337_6q8l 1 . 4 . 727 . 1 1 6 THR O O 1.462 3.256 -2.597 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . c34337_6q8l 1 . 4 . 728 . 1 1 6 THR OG1 O -0.263 2.041 -4.784 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . c34337_6q8l 1 . 4 . 729 . 1 1 7 VAL C C 0.725 4.178 1.016 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c34337_6q8l 1 . 4 . 730 . 1 1 7 VAL CA C -0.006 4.327 -0.359 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c34337_6q8l 1 . 4 . 731 . 1 1 7 VAL CB C -1.456 4.962 -0.310 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c34337_6q8l 1 . 4 . 732 . 1 1 7 VAL CG1 C -1.820 5.823 0.926 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c34337_6q8l 1 . 4 . 733 . 1 1 7 VAL CG2 C -1.782 5.773 -1.591 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c34337_6q8l 1 . 4 . 734 . 1 1 7 VAL H H -0.794 2.276 -0.716 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c34337_6q8l 1 . 4 . 735 . 1 1 7 VAL HA H 0.650 4.997 -0.951 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c34337_6q8l 1 . 4 . 736 . 1 1 7 VAL HB H -2.191 4.133 -0.273 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c34337_6q8l 1 . 4 . 737 . 1 1 7 VAL HG11 H -1.120 6.667 1.068 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c34337_6q8l 1 . 4 . 738 . 1 1 7 VAL HG12 H -2.841 6.242 0.861 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c34337_6q8l 1 . 4 . 739 . 1 1 7 VAL HG13 H -1.800 5.228 1.859 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c34337_6q8l 1 . 4 . 740 . 1 1 7 VAL HG21 H -1.836 6.865 -1.415 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c34337_6q8l 1 . 4 . 741 . 1 1 7 VAL HG22 H -1.037 5.631 -2.396 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c34337_6q8l 1 . 4 . 742 . 1 1 7 VAL HG23 H -2.756 5.472 -2.018 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c34337_6q8l 1 . 4 . 743 . 1 1 7 VAL N N -0.125 2.990 -1.025 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c34337_6q8l 1 . 4 . 744 . 1 1 7 VAL O O 1.746 4.826 1.258 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c34337_6q8l 1 . 4 . 745 . 1 1 8 GLN C C 2.108 2.069 3.101 . . . 1.0 . . . . . . . . . . . . A . 7 GLN C . . . . . . . . . c34337_6q8l 1 . 4 . 746 . 1 1 8 GLN CA C 0.838 2.972 3.201 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CA . . . . . . . . . c34337_6q8l 1 . 4 . 747 . 1 1 8 GLN CB C -0.284 2.347 4.093 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CB . . . . . . . . . c34337_6q8l 1 . 4 . 748 . 1 1 8 GLN CD C 0.076 3.345 6.470 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CD . . . . . . . . . c34337_6q8l 1 . 4 . 749 . 1 1 8 GLN CG C -0.793 3.301 5.202 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CG . . . . . . . . . c34337_6q8l 1 . 4 . 750 . 1 1 8 GLN H H -0.601 2.795 1.538 . . . 1.0 . . . . . . . . . . . . A . 7 GLN H . . . . . . . . . c34337_6q8l 1 . 4 . 751 . 1 1 8 GLN HA H 1.203 3.905 3.676 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HA . . . . . . . . . c34337_6q8l 1 . 4 . 752 . 1 1 8 GLN HB2 H -1.155 2.006 3.495 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB2 . . . . . . . . . c34337_6q8l 1 . 4 . 753 . 1 1 8 GLN HB3 H 0.057 1.401 4.560 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB3 . . . . . . . . . c34337_6q8l 1 . 4 . 754 . 1 1 8 GLN HE21 H -0.908 4.961 7.115 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE21 . . . . . . . . . c34337_6q8l 1 . 4 . 755 . 1 1 8 GLN HE22 H 0.430 4.248 8.169 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE22 . . . . . . . . . c34337_6q8l 1 . 4 . 756 . 1 1 8 GLN HG2 H -0.907 4.322 4.786 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG2 . . . . . . . . . c34337_6q8l 1 . 4 . 757 . 1 1 8 GLN HG3 H -1.813 2.999 5.501 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG3 . . . . . . . . . c34337_6q8l 1 . 4 . 758 . 1 1 8 GLN N N 0.190 3.330 1.910 . . . 1.0 . . . . . . . . . . . . A . 7 GLN N . . . . . . . . . c34337_6q8l 1 . 4 . 759 . 1 1 8 GLN NE2 N -0.164 4.296 7.336 . . . 1.0 . . . . . . . . . . . . A . 7 GLN NE2 . . . . . . . . . c34337_6q8l 1 . 4 . 760 . 1 1 8 GLN O O 3.018 2.191 3.924 . . . 1.0 . . . . . . . . . . . . A . 7 GLN O . . . . . . . . . c34337_6q8l 1 . 4 . 761 . 1 1 8 GLN OE1 O 0.953 2.526 6.723 . . . 1.0 . . . . . . . . . . . . A . 7 GLN OE1 . . . . . . . . . c34337_6q8l 1 . 4 . 762 . 1 1 9 ARG C C 3.276 -0.345 0.483 . . . 1.0 . . . . . . . . . . . . A . 8 ARG C . . . . . . . . . c34337_6q8l 1 . 4 . 763 . 1 1 9 ARG CA C 3.256 0.177 1.961 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CA . . . . . . . . . c34337_6q8l 1 . 4 . 764 . 1 1 9 ARG CB C 3.146 -0.930 3.050 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CB . . . . . . . . . c34337_6q8l 1 . 4 . 765 . 1 1 9 ARG CD C 2.114 -3.252 2.829 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CD . . . . . . . . . c34337_6q8l 1 . 4 . 766 . 1 1 9 ARG CG C 1.832 -1.769 3.075 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CG . . . . . . . . . c34337_6q8l 1 . 4 . 767 . 1 1 9 ARG CZ C 0.868 -5.337 3.407 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CZ . . . . . . . . . c34337_6q8l 1 . 4 . 768 . 1 1 9 ARG H H 1.369 1.210 1.465 . . . 1.0 . . . . . . . . . . . . A . 8 ARG H . . . . . . . . . c34337_6q8l 1 . 4 . 769 . 1 1 9 ARG HA H 4.224 0.684 2.143 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HA . . . . . . . . . c34337_6q8l 1 . 4 . 770 . 1 1 9 ARG HB2 H 4.039 -1.577 2.957 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB2 . . . . . . . . . c34337_6q8l 1 . 4 . 771 . 1 1 9 ARG HB3 H 3.278 -0.458 4.044 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB3 . . . . . . . . . c34337_6q8l 1 . 4 . 772 . 1 1 9 ARG HD2 H 2.488 -3.398 1.794 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD2 . . . . . . . . . c34337_6q8l 1 . 4 . 773 . 1 1 9 ARG HD3 H 2.933 -3.563 3.507 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD3 . . . . . . . . . c34337_6q8l 1 . 4 . 774 . 1 1 9 ARG HE H -0.041 -3.654 2.852 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HE . . . . . . . . . c34337_6q8l 1 . 4 . 775 . 1 1 9 ARG HG2 H 1.315 -1.610 4.042 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG2 . . . . . . . . . c34337_6q8l 1 . 4 . 776 . 1 1 9 ARG HG3 H 1.116 -1.403 2.310 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG3 . . . . . . . . . c34337_6q8l 1 . 4 . 777 . 1 1 9 ARG HH11 H -0.267 -6.892 3.875 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH11 . . . . . . . . . c34337_6q8l 1 . 4 . 778 . 1 1 9 ARG HH12 H -1.109 -5.345 3.391 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH12 . . . . . . . . . c34337_6q8l 1 . 4 . 779 . 1 1 9 ARG HH21 H 1.874 -7.025 3.871 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH21 . . . . . . . . . c34337_6q8l 1 . 4 . 780 . 1 1 9 ARG HH22 H 2.811 -5.529 3.385 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH22 . . . . . . . . . c34337_6q8l 1 . 4 . 781 . 1 1 9 ARG N N 2.154 1.153 2.122 . . . 1.0 . . . . . . . . . . . . A . 8 ARG N . . . . . . . . . c34337_6q8l 1 . 4 . 782 . 1 1 9 ARG NE N 0.883 -4.058 3.037 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NE . . . . . . . . . c34337_6q8l 1 . 4 . 783 . 1 1 9 ARG NH1 N -0.282 -5.912 3.589 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH1 . . . . . . . . . c34337_6q8l 1 . 4 . 784 . 1 1 9 ARG NH2 N 1.955 -6.046 3.595 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH2 . . . . . . . . . c34337_6q8l 1 . 4 . 785 . 1 1 9 ARG O O 2.779 -1.449 0.240 . . . 1.0 . . . . . . . . . . . . A . 8 ARG O . . . . . . . . . c34337_6q8l 1 . 4 . 786 . 1 1 10 PRO C C 4.902 -1.400 -2.066 . . . 1.0 . . . . . . . . . . . . A . 9 PRO C . . . . . . . . . c34337_6q8l 1 . 4 . 787 . 1 1 10 PRO CA C 3.926 -0.196 -1.924 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CA . . . . . . . . . c34337_6q8l 1 . 4 . 788 . 1 1 10 PRO CB C 4.331 1.071 -2.714 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CB . . . . . . . . . c34337_6q8l 1 . 4 . 789 . 1 1 10 PRO CD C 4.459 1.692 -0.395 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CD . . . . . . . . . c34337_6q8l 1 . 4 . 790 . 1 1 10 PRO CG C 5.172 1.887 -1.733 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CG . . . . . . . . . c34337_6q8l 1 . 4 . 791 . 1 1 10 PRO HA H 2.941 -0.566 -2.259 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HA . . . . . . . . . c34337_6q8l 1 . 4 . 792 . 1 1 10 PRO HB2 H 4.868 0.860 -3.658 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HB2 . . . . . . . . . c34337_6q8l 1 . 4 . 793 . 1 1 10 PRO HB3 H 3.430 1.647 -3.000 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HB3 . . . . . . . . . c34337_6q8l 1 . 4 . 794 . 1 1 10 PRO HD2 H 5.178 1.749 0.444 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HD2 . . . . . . . . . c34337_6q8l 1 . 4 . 795 . 1 1 10 PRO HD3 H 3.683 2.470 -0.237 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HD3 . . . . . . . . . c34337_6q8l 1 . 4 . 796 . 1 1 10 PRO HG2 H 6.200 1.475 -1.681 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HG2 . . . . . . . . . c34337_6q8l 1 . 4 . 797 . 1 1 10 PRO HG3 H 5.262 2.951 -2.021 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HG3 . . . . . . . . . c34337_6q8l 1 . 4 . 798 . 1 1 10 PRO N N 3.836 0.360 -0.544 . . . 1.0 . . . . . . . . . . . . A . 9 PRO N . . . . . . . . . c34337_6q8l 1 . 4 . 799 . 1 1 10 PRO O O 5.595 -1.809 -1.126 . . . 1.0 . . . . . . . . . . . . A . 9 PRO O . . . . . . . . . c34337_6q8l 1 . 4 . 800 . 1 1 11 LYS C C 7.553 -2.270 -3.804 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . c34337_6q8l 1 . 4 . 801 . 1 1 11 LYS CA C 6.104 -2.886 -3.638 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . c34337_6q8l 1 . 4 . 802 . 1 1 11 LYS CB C 5.605 -3.727 -4.854 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . c34337_6q8l 1 . 4 . 803 . 1 1 11 LYS CD C 5.552 -6.140 -5.771 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . c34337_6q8l 1 . 4 . 804 . 1 1 11 LYS CE C 4.277 -6.898 -6.195 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . c34337_6q8l 1 . 4 . 805 . 1 1 11 LYS CG C 5.379 -5.228 -4.534 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . c34337_6q8l 1 . 4 . 806 . 1 1 11 LYS H H 4.471 -1.432 -4.010 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . c34337_6q8l 1 . 4 . 807 . 1 1 11 LYS HA H 6.217 -3.574 -2.775 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . c34337_6q8l 1 . 4 . 808 . 1 1 11 LYS HB2 H 4.676 -3.323 -5.307 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . c34337_6q8l 1 . 4 . 809 . 1 1 11 LYS HB3 H 6.335 -3.619 -5.679 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . c34337_6q8l 1 . 4 . 810 . 1 1 11 LYS HD2 H 5.988 -5.557 -6.608 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . c34337_6q8l 1 . 4 . 811 . 1 1 11 LYS HD3 H 6.352 -6.876 -5.552 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . c34337_6q8l 1 . 4 . 812 . 1 1 11 LYS HE2 H 4.264 -7.902 -5.713 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . c34337_6q8l 1 . 4 . 813 . 1 1 11 LYS HE3 H 3.360 -6.395 -5.812 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . c34337_6q8l 1 . 4 . 814 . 1 1 11 LYS HG2 H 6.096 -5.565 -3.758 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . c34337_6q8l 1 . 4 . 815 . 1 1 11 LYS HG3 H 4.390 -5.350 -4.044 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . c34337_6q8l 1 . 4 . 816 . 1 1 11 LYS HZ1 H 4.191 -6.078 -8.122 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . c34337_6q8l 1 . 4 . 817 . 1 1 11 LYS HZ2 H 5.057 -7.465 -8.071 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . c34337_6q8l 1 . 4 . 818 . 1 1 11 LYS HZ3 H 3.408 -7.520 -8.032 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . c34337_6q8l 1 . 4 . 819 . 1 1 11 LYS N N 5.020 -1.919 -3.296 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . c34337_6q8l 1 . 4 . 820 . 1 1 11 LYS NZ N 4.225 -7.005 -7.678 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . c34337_6q8l 1 . 4 . 821 . 1 1 11 LYS O O 8.357 -2.735 -4.616 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . c34337_6q8l 1 . 4 . 822 . 1 1 12 GLY C C 9.776 -0.681 -1.284 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . c34337_6q8l 1 . 4 . 823 . 1 1 12 GLY CA C 9.294 -0.797 -2.758 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . c34337_6q8l 1 . 4 . 824 . 1 1 12 GLY H H 7.138 -1.062 -2.307 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . c34337_6q8l 1 . 4 . 825 . 1 1 12 GLY HA2 H 10.030 -1.413 -3.308 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . c34337_6q8l 1 . 4 . 826 . 1 1 12 GLY HA3 H 9.375 0.209 -3.211 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . c34337_6q8l 1 . 4 . 827 . 1 1 12 GLY N N 7.899 -1.278 -2.966 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . c34337_6q8l 1 . 4 . 828 . 1 1 12 GLY O O 10.730 0.052 -1.026 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . c34337_6q8l 1 . 4 . 829 . 1 1 13 TYR C C 9.701 -2.857 1.596 . . . 1.0 . . . . . . . . . . . . A . 12 TYR C . . . . . . . . . c34337_6q8l 1 . 4 . 830 . 1 1 13 TYR CA C 9.497 -1.388 1.108 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CA . . . . . . . . . c34337_6q8l 1 . 4 . 831 . 1 1 13 TYR CB C 8.419 -0.573 1.902 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CB . . . . . . . . . c34337_6q8l 1 . 4 . 832 . 1 1 13 TYR CD1 C 8.902 1.903 1.513 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD1 . . . . . . . . . c34337_6q8l 1 . 4 . 833 . 1 1 13 TYR CD2 C 9.296 0.978 3.711 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD2 . . . . . . . . . c34337_6q8l 1 . 4 . 834 . 1 1 13 TYR CE1 C 9.345 3.149 1.959 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE1 . . . . . . . . . c34337_6q8l 1 . 4 . 835 . 1 1 13 TYR CE2 C 9.728 2.226 4.155 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE2 . . . . . . . . . c34337_6q8l 1 . 4 . 836 . 1 1 13 TYR CG C 8.882 0.811 2.382 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CG . . . . . . . . . c34337_6q8l 1 . 4 . 837 . 1 1 13 TYR CZ C 9.763 3.303 3.282 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CZ . . . . . . . . . c34337_6q8l 1 . 4 . 838 . 1 1 13 TYR H H 8.354 -1.938 -0.707 . . . 1.0 . . . . . . . . . . . . A . 12 TYR H . . . . . . . . . c34337_6q8l 1 . 4 . 839 . 1 1 13 TYR HA H 10.489 -0.911 1.253 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HA . . . . . . . . . c34337_6q8l 1 . 4 . 840 . 1 1 13 TYR HB2 H 7.481 -0.461 1.323 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB2 . . . . . . . . . c34337_6q8l 1 . 4 . 841 . 1 1 13 TYR HB3 H 8.083 -1.149 2.785 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB3 . . . . . . . . . c34337_6q8l 1 . 4 . 842 . 1 1 13 TYR HD1 H 8.592 1.787 0.484 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD1 . . . . . . . . . c34337_6q8l 1 . 4 . 843 . 1 1 13 TYR HD2 H 9.292 0.147 4.398 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD2 . . . . . . . . . c34337_6q8l 1 . 4 . 844 . 1 1 13 TYR HE1 H 9.365 3.986 1.279 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE1 . . . . . . . . . c34337_6q8l 1 . 4 . 845 . 1 1 13 TYR HE2 H 10.054 2.352 5.178 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE2 . . . . . . . . . c34337_6q8l 1 . 4 . 846 . 1 1 13 TYR HH H 10.550 5.015 2.966 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HH . . . . . . . . . c34337_6q8l 1 . 4 . 847 . 1 1 13 TYR N N 9.142 -1.396 -0.338 . . . 1.0 . . . . . . . . . . . . A . 12 TYR N . . . . . . . . . c34337_6q8l 1 . 4 . 848 . 1 1 13 TYR O O 10.822 -3.317 1.790 . . . 1.0 . . . . . . . . . . . . A . 12 TYR O . . . . . . . . . c34337_6q8l 1 . 4 . 849 . 1 1 13 TYR OH O 10.247 4.507 3.721 . . . 1.0 . . . . . . . . . . . . A . 12 TYR OH . . . . . . . . . c34337_6q8l 1 . 4 . 850 . 1 1 14 NH2 HN1 H 8.936 -4.594 2.148 . . . 1.0 . . . . . . . . . . . . A . 13 NH2 HN1 . . . . . . . . . c34337_6q8l 1 . 4 . 851 . 1 1 14 NH2 HN2 H 7.736 -3.272 1.679 . . . 1.0 . . . . . . . . . . . . A . 13 NH2 HN2 . . . . . . . . . c34337_6q8l 1 . 4 . 852 . 1 1 14 NH2 N N 8.673 -3.663 1.811 . . . 1.0 . . . . . . . . . . . . A . 13 NH2 N . . . . . . . . . c34337_6q8l 1 . 5 . 853 . 1 1 1 ACE C C -9.535 -4.136 -1.432 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c34337_6q8l 1 . 5 . 854 . 1 1 1 ACE CH3 C -10.988 -4.475 -1.679 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c34337_6q8l 1 . 5 . 855 . 1 1 1 ACE H1 H -11.651 -3.597 -1.569 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c34337_6q8l 1 . 5 . 856 . 1 1 1 ACE H2 H -11.116 -4.852 -2.708 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c34337_6q8l 1 . 5 . 857 . 1 1 1 ACE H3 H -11.326 -5.264 -0.986 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . c34337_6q8l 1 . 5 . 858 . 1 1 1 ACE O O -8.651 -4.594 -2.152 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c34337_6q8l 1 . 5 . 859 . 1 1 2 ARG C C -7.253 -2.034 -1.264 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c34337_6q8l 1 . 5 . 860 . 1 1 2 ARG CA C -7.972 -2.749 -0.055 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c34337_6q8l 1 . 5 . 861 . 1 1 2 ARG CB C -7.066 -3.758 0.718 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c34337_6q8l 1 . 5 . 862 . 1 1 2 ARG CD C -8.575 -5.668 1.605 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c34337_6q8l 1 . 5 . 863 . 1 1 2 ARG CG C -7.666 -4.462 1.960 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c34337_6q8l 1 . 5 . 864 . 1 1 2 ARG CZ C -8.974 -6.793 3.812 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c34337_6q8l 1 . 5 . 865 . 1 1 2 ARG H H -10.171 -3.059 0.100 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H . . . . . . . . . c34337_6q8l 1 . 5 . 866 . 1 1 2 ARG HA H -8.157 -1.936 0.673 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c34337_6q8l 1 . 5 . 867 . 1 1 2 ARG HB2 H -6.669 -4.513 0.011 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c34337_6q8l 1 . 5 . 868 . 1 1 2 ARG HB3 H -6.156 -3.214 1.045 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c34337_6q8l 1 . 5 . 869 . 1 1 2 ARG HD2 H -9.628 -5.349 1.461 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c34337_6q8l 1 . 5 . 870 . 1 1 2 ARG HD3 H -8.295 -6.065 0.606 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c34337_6q8l 1 . 5 . 871 . 1 1 2 ARG HE H -7.950 -7.631 2.329 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c34337_6q8l 1 . 5 . 872 . 1 1 2 ARG HG2 H -6.827 -4.791 2.606 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c34337_6q8l 1 . 5 . 873 . 1 1 2 ARG HG3 H -8.220 -3.729 2.578 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c34337_6q8l 1 . 5 . 874 . 1 1 2 ARG HH11 H -9.113 -7.815 5.509 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c34337_6q8l 1 . 5 . 875 . 1 1 2 ARG HH12 H -8.182 -8.577 4.141 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c34337_6q8l 1 . 5 . 876 . 1 1 2 ARG HH21 H -10.010 -5.874 5.276 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c34337_6q8l 1 . 5 . 877 . 1 1 2 ARG HH22 H -9.805 -5.032 3.660 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c34337_6q8l 1 . 5 . 878 . 1 1 2 ARG N N -9.317 -3.317 -0.398 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c34337_6q8l 1 . 5 . 879 . 1 1 2 ARG NE N -8.472 -6.787 2.579 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c34337_6q8l 1 . 5 . 880 . 1 1 2 ARG NH1 N -8.741 -7.830 4.559 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c34337_6q8l 1 . 5 . 881 . 1 1 2 ARG NH2 N -9.677 -5.809 4.313 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c34337_6q8l 1 . 5 . 882 . 1 1 2 ARG O O -6.143 -2.439 -1.622 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c34337_6q8l 1 . 5 . 883 . 1 1 3 PRO C C -5.875 0.525 -2.716 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . c34337_6q8l 1 . 5 . 884 . 1 1 3 PRO CA C -7.159 -0.302 -3.076 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . c34337_6q8l 1 . 5 . 885 . 1 1 3 PRO CB C -8.331 0.527 -3.636 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . c34337_6q8l 1 . 5 . 886 . 1 1 3 PRO CD C -9.081 -0.318 -1.503 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . c34337_6q8l 1 . 5 . 887 . 1 1 3 PRO CG C -9.165 0.911 -2.411 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . c34337_6q8l 1 . 5 . 888 . 1 1 3 PRO HA H -6.860 -1.055 -3.832 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . c34337_6q8l 1 . 5 . 889 . 1 1 3 PRO HB2 H -8.005 1.405 -4.226 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . c34337_6q8l 1 . 5 . 890 . 1 1 3 PRO HB3 H -8.941 -0.099 -4.316 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . c34337_6q8l 1 . 5 . 891 . 1 1 3 PRO HD2 H -9.066 -0.027 -0.434 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . c34337_6q8l 1 . 5 . 892 . 1 1 3 PRO HD3 H -9.952 -0.979 -1.665 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . c34337_6q8l 1 . 5 . 893 . 1 1 3 PRO HG2 H -8.714 1.792 -1.922 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . c34337_6q8l 1 . 5 . 894 . 1 1 3 PRO HG3 H -10.206 1.184 -2.658 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . c34337_6q8l 1 . 5 . 895 . 1 1 3 PRO N N -7.829 -0.984 -1.928 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . c34337_6q8l 1 . 5 . 896 . 1 1 3 PRO O O -4.936 0.614 -3.509 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . c34337_6q8l 1 . 5 . 897 . 1 1 4 LEU C C -3.579 0.614 -0.282 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c34337_6q8l 1 . 5 . 898 . 1 1 4 LEU CA C -4.612 1.652 -0.865 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c34337_6q8l 1 . 5 . 899 . 1 1 4 LEU CB C -5.128 2.650 0.220 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c34337_6q8l 1 . 5 . 900 . 1 1 4 LEU CD1 C -7.539 3.512 0.287 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c34337_6q8l 1 . 5 . 901 . 1 1 4 LEU CD2 C -5.668 5.178 0.155 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c34337_6q8l 1 . 5 . 902 . 1 1 4 LEU CG C -6.118 3.767 -0.248 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c34337_6q8l 1 . 5 . 903 . 1 1 4 LEU H H -6.641 0.786 -0.926 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c34337_6q8l 1 . 5 . 904 . 1 1 4 LEU HA H -4.065 2.240 -1.630 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c34337_6q8l 1 . 5 . 905 . 1 1 4 LEU HB2 H -5.566 2.071 1.058 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c34337_6q8l 1 . 5 . 906 . 1 1 4 LEU HB3 H -4.242 3.116 0.691 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c34337_6q8l 1 . 5 . 907 . 1 1 4 LEU HD11 H -8.261 4.268 -0.074 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c34337_6q8l 1 . 5 . 908 . 1 1 4 LEU HD12 H -7.923 2.526 -0.024 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c34337_6q8l 1 . 5 . 909 . 1 1 4 LEU HD13 H -7.574 3.524 1.393 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c34337_6q8l 1 . 5 . 910 . 1 1 4 LEU HD21 H -5.860 5.398 1.222 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c34337_6q8l 1 . 5 . 911 . 1 1 4 LEU HD22 H -4.591 5.322 -0.024 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c34337_6q8l 1 . 5 . 912 . 1 1 4 LEU HD23 H -6.190 5.948 -0.443 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c34337_6q8l 1 . 5 . 913 . 1 1 4 LEU HG H -6.163 3.758 -1.356 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c34337_6q8l 1 . 5 . 914 . 1 1 4 LEU N N -5.822 1.049 -1.481 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c34337_6q8l 1 . 5 . 915 . 1 1 4 LEU O O -2.896 0.895 0.709 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c34337_6q8l 1 . 5 . 916 . 1 1 5 ASP C C -0.799 -0.834 -1.234 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c34337_6q8l 1 . 5 . 917 . 1 1 5 ASP CA C -2.183 -1.417 -0.740 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c34337_6q8l 1 . 5 . 918 . 1 1 5 ASP CB C -2.527 -2.791 -1.385 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c34337_6q8l 1 . 5 . 919 . 1 1 5 ASP CG C -1.896 -3.989 -0.674 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c34337_6q8l 1 . 5 . 920 . 1 1 5 ASP H H -3.948 -0.625 -1.808 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c34337_6q8l 1 . 5 . 921 . 1 1 5 ASP HA H -2.085 -1.567 0.355 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c34337_6q8l 1 . 5 . 922 . 1 1 5 ASP HB2 H -3.615 -2.991 -1.389 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c34337_6q8l 1 . 5 . 923 . 1 1 5 ASP HB3 H -2.243 -2.805 -2.456 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c34337_6q8l 1 . 5 . 924 . 1 1 5 ASP N N -3.367 -0.532 -0.963 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c34337_6q8l 1 . 5 . 925 . 1 1 5 ASP O O 0.262 -1.370 -0.914 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c34337_6q8l 1 . 5 . 926 . 1 1 5 ASP OD1 O -2.306 -4.295 0.469 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c34337_6q8l 1 . 5 . 927 . 1 1 5 ASP OD2 O -0.995 -4.633 -1.251 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c34337_6q8l 1 . 5 . 928 . 1 1 6 THR C C 0.633 2.432 -2.001 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . c34337_6q8l 1 . 5 . 929 . 1 1 6 THR CA C 0.375 0.972 -2.560 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . c34337_6q8l 1 . 5 . 930 . 1 1 6 THR CB C 0.398 0.859 -4.134 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . c34337_6q8l 1 . 5 . 931 . 1 1 6 THR CG2 C -0.458 -0.234 -4.820 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . c34337_6q8l 1 . 5 . 932 . 1 1 6 THR H H -1.778 0.565 -2.229 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . c34337_6q8l 1 . 5 . 933 . 1 1 6 THR HA H 1.263 0.432 -2.205 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . c34337_6q8l 1 . 5 . 934 . 1 1 6 THR HB H 1.452 0.664 -4.415 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . c34337_6q8l 1 . 5 . 935 . 1 1 6 THR HG1 H 0.478 2.132 -5.584 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . c34337_6q8l 1 . 5 . 936 . 1 1 6 THR HG21 H -0.311 -1.227 -4.353 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . c34337_6q8l 1 . 5 . 937 . 1 1 6 THR HG22 H -1.537 -0.001 -4.722 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . c34337_6q8l 1 . 5 . 938 . 1 1 6 THR HG23 H -0.248 -0.335 -5.899 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . c34337_6q8l 1 . 5 . 939 . 1 1 6 THR N N -0.822 0.281 -1.991 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . c34337_6q8l 1 . 5 . 940 . 1 1 6 THR O O 1.580 3.106 -2.413 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . c34337_6q8l 1 . 5 . 941 . 1 1 6 THR OG1 O 0.002 2.081 -4.751 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . c34337_6q8l 1 . 5 . 942 . 1 1 7 VAL C C 0.693 4.074 1.001 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c34337_6q8l 1 . 5 . 943 . 1 1 7 VAL CA C -0.066 4.220 -0.357 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c34337_6q8l 1 . 5 . 944 . 1 1 7 VAL CB C -1.511 4.854 -0.279 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c34337_6q8l 1 . 5 . 945 . 1 1 7 VAL CG1 C -1.810 5.748 0.951 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c34337_6q8l 1 . 5 . 946 . 1 1 7 VAL CG2 C -1.843 5.640 -1.567 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c34337_6q8l 1 . 5 . 947 . 1 1 7 VAL H H -0.862 2.181 -0.755 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c34337_6q8l 1 . 5 . 948 . 1 1 7 VAL HA H 0.576 4.898 -0.958 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c34337_6q8l 1 . 5 . 949 . 1 1 7 VAL HB H -2.259 4.037 -0.209 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c34337_6q8l 1 . 5 . 950 . 1 1 7 VAL HG11 H -1.030 6.513 1.114 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c34337_6q8l 1 . 5 . 951 . 1 1 7 VAL HG12 H -2.779 6.273 0.881 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c34337_6q8l 1 . 5 . 952 . 1 1 7 VAL HG13 H -1.866 5.139 1.874 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c34337_6q8l 1 . 5 . 953 . 1 1 7 VAL HG21 H -1.043 6.354 -1.837 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c34337_6q8l 1 . 5 . 954 . 1 1 7 VAL HG22 H -1.973 4.959 -2.429 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c34337_6q8l 1 . 5 . 955 . 1 1 7 VAL HG23 H -2.779 6.224 -1.485 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c34337_6q8l 1 . 5 . 956 . 1 1 7 VAL N N -0.189 2.898 -1.045 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c34337_6q8l 1 . 5 . 957 . 1 1 7 VAL O O 1.703 4.744 1.228 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c34337_6q8l 1 . 5 . 958 . 1 1 8 GLN C C 2.155 2.030 3.094 . . . 1.0 . . . . . . . . . . . . A . 7 GLN C . . . . . . . . . c34337_6q8l 1 . 5 . 959 . 1 1 8 GLN CA C 0.863 2.898 3.192 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CA . . . . . . . . . c34337_6q8l 1 . 5 . 960 . 1 1 8 GLN CB C -0.220 2.266 4.124 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CB . . . . . . . . . c34337_6q8l 1 . 5 . 961 . 1 1 8 GLN CD C 0.192 3.437 6.376 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CD . . . . . . . . . c34337_6q8l 1 . 5 . 962 . 1 1 8 GLN CG C -0.765 3.245 5.192 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CG . . . . . . . . . c34337_6q8l 1 . 5 . 963 . 1 1 8 GLN H H -0.595 2.663 1.548 . . . 1.0 . . . . . . . . . . . . A . 7 GLN H . . . . . . . . . c34337_6q8l 1 . 5 . 964 . 1 1 8 GLN HA H 1.214 3.849 3.639 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HA . . . . . . . . . c34337_6q8l 1 . 5 . 965 . 1 1 8 GLN HB2 H -1.076 1.856 3.548 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB2 . . . . . . . . . c34337_6q8l 1 . 5 . 966 . 1 1 8 GLN HB3 H 0.171 1.363 4.637 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB3 . . . . . . . . . c34337_6q8l 1 . 5 . 967 . 1 1 8 GLN HE21 H 0.667 5.289 5.789 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE21 . . . . . . . . . c34337_6q8l 1 . 5 . 968 . 1 1 8 GLN HE22 H 1.509 4.580 7.266 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE22 . . . . . . . . . c34337_6q8l 1 . 5 . 969 . 1 1 8 GLN HG2 H -1.038 4.212 4.725 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG2 . . . . . . . . . c34337_6q8l 1 . 5 . 970 . 1 1 8 GLN HG3 H -1.714 2.853 5.599 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG3 . . . . . . . . . c34337_6q8l 1 . 5 . 971 . 1 1 8 GLN N N 0.188 3.219 1.905 . . . 1.0 . . . . . . . . . . . . A . 7 GLN N . . . . . . . . . c34337_6q8l 1 . 5 . 972 . 1 1 8 GLN NE2 N 0.817 4.582 6.512 . . . 1.0 . . . . . . . . . . . . A . 7 GLN NE2 . . . . . . . . . c34337_6q8l 1 . 5 . 973 . 1 1 8 GLN O O 3.056 2.175 3.924 . . . 1.0 . . . . . . . . . . . . A . 7 GLN O . . . . . . . . . c34337_6q8l 1 . 5 . 974 . 1 1 8 GLN OE1 O 0.407 2.541 7.183 . . . 1.0 . . . . . . . . . . . . A . 7 GLN OE1 . . . . . . . . . c34337_6q8l 1 . 5 . 975 . 1 1 9 ARG C C 3.389 -0.357 0.479 . . . 1.0 . . . . . . . . . . . . A . 8 ARG C . . . . . . . . . c34337_6q8l 1 . 5 . 976 . 1 1 9 ARG CA C 3.358 0.171 1.956 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CA . . . . . . . . . c34337_6q8l 1 . 5 . 977 . 1 1 9 ARG CB C 3.282 -0.934 3.050 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CB . . . . . . . . . c34337_6q8l 1 . 5 . 978 . 1 1 9 ARG CD C 2.313 -3.284 2.843 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CD . . . . . . . . . c34337_6q8l 1 . 5 . 979 . 1 1 9 ARG CG C 1.993 -1.807 3.087 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CG . . . . . . . . . c34337_6q8l 1 . 5 . 980 . 1 1 9 ARG CZ C 1.114 -5.439 3.203 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CZ . . . . . . . . . c34337_6q8l 1 . 5 . 981 . 1 1 9 ARG H H 1.443 1.151 1.457 . . . 1.0 . . . . . . . . . . . . A . 8 ARG H . . . . . . . . . c34337_6q8l 1 . 5 . 982 . 1 1 9 ARG HA H 4.311 0.707 2.131 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HA . . . . . . . . . c34337_6q8l 1 . 5 . 983 . 1 1 9 ARG HB2 H 4.193 -1.557 2.958 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB2 . . . . . . . . . c34337_6q8l 1 . 5 . 984 . 1 1 9 ARG HB3 H 3.407 -0.454 4.041 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB3 . . . . . . . . . c34337_6q8l 1 . 5 . 985 . 1 1 9 ARG HD2 H 2.716 -3.411 1.816 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD2 . . . . . . . . . c34337_6q8l 1 . 5 . 986 . 1 1 9 ARG HD3 H 3.119 -3.587 3.541 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD3 . . . . . . . . . c34337_6q8l 1 . 5 . 987 . 1 1 9 ARG HE H 0.164 -3.708 2.958 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HE . . . . . . . . . c34337_6q8l 1 . 5 . 988 . 1 1 9 ARG HG2 H 1.476 -1.664 4.056 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG2 . . . . . . . . . c34337_6q8l 1 . 5 . 989 . 1 1 9 ARG HG3 H 1.263 -1.464 2.323 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG3 . . . . . . . . . c34337_6q8l 1 . 5 . 990 . 1 1 9 ARG HH11 H 0.018 -7.058 3.532 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH11 . . . . . . . . . c34337_6q8l 1 . 5 . 991 . 1 1 9 ARG HH12 H -0.861 -5.471 3.326 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH12 . . . . . . . . . c34337_6q8l 1 . 5 . 992 . 1 1 9 ARG HH21 H 2.156 -7.162 3.346 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH21 . . . . . . . . . c34337_6q8l 1 . 5 . 993 . 1 1 9 ARG HH22 H 3.049 -5.598 3.007 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH22 . . . . . . . . . c34337_6q8l 1 . 5 . 994 . 1 1 9 ARG N N 2.229 1.115 2.114 . . . 1.0 . . . . . . . . . . . . A . 8 ARG N . . . . . . . . . c34337_6q8l 1 . 5 . 995 . 1 1 9 ARG NE N 1.100 -4.121 3.017 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NE . . . . . . . . . c34337_6q8l 1 . 5 . 996 . 1 1 9 ARG NH1 N -0.018 -6.048 3.389 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH1 . . . . . . . . . c34337_6q8l 1 . 5 . 997 . 1 1 9 ARG NH2 N 2.215 -6.153 3.209 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH2 . . . . . . . . . c34337_6q8l 1 . 5 . 998 . 1 1 9 ARG O O 2.927 -1.478 0.241 . . . 1.0 . . . . . . . . . . . . A . 8 ARG O . . . . . . . . . c34337_6q8l 1 . 5 . 999 . 1 1 10 PRO C C 5.029 -1.368 -2.087 . . . 1.0 . . . . . . . . . . . . A . 9 PRO C . . . . . . . . . c34337_6q8l 1 . 5 . 1000 . 1 1 10 PRO CA C 4.021 -0.194 -1.934 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CA . . . . . . . . . c34337_6q8l 1 . 5 . 1001 . 1 1 10 PRO CB C 4.383 1.081 -2.730 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CB . . . . . . . . . c34337_6q8l 1 . 5 . 1002 . 1 1 10 PRO CD C 4.498 1.716 -0.415 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CD . . . . . . . . . c34337_6q8l 1 . 5 . 1003 . 1 1 10 PRO CG C 5.200 1.930 -1.755 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CG . . . . . . . . . c34337_6q8l 1 . 5 . 1004 . 1 1 10 PRO HA H 3.044 -0.592 -2.260 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HA . . . . . . . . . c34337_6q8l 1 . 5 . 1005 . 1 1 10 PRO HB2 H 4.926 0.886 -3.675 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HB2 . . . . . . . . . c34337_6q8l 1 . 5 . 1006 . 1 1 10 PRO HB3 H 3.465 1.623 -3.022 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HB3 . . . . . . . . . c34337_6q8l 1 . 5 . 1007 . 1 1 10 PRO HD2 H 5.217 1.804 0.421 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HD2 . . . . . . . . . c34337_6q8l 1 . 5 . 1008 . 1 1 10 PRO HD3 H 3.695 2.466 -0.258 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HD3 . . . . . . . . . c34337_6q8l 1 . 5 . 1009 . 1 1 10 PRO HG2 H 6.240 1.554 -1.705 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HG2 . . . . . . . . . c34337_6q8l 1 . 5 . 1010 . 1 1 10 PRO HG3 H 5.250 2.995 -2.048 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HG3 . . . . . . . . . c34337_6q8l 1 . 5 . 1011 . 1 1 10 PRO N N 3.924 0.360 -0.555 . . . 1.0 . . . . . . . . . . . . A . 9 PRO N . . . . . . . . . c34337_6q8l 1 . 5 . 1012 . 1 1 10 PRO O O 5.735 -1.766 -1.150 . . . 1.0 . . . . . . . . . . . . A . 9 PRO O . . . . . . . . . c34337_6q8l 1 . 5 . 1013 . 1 1 11 LYS C C 7.708 -2.146 -3.838 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . c34337_6q8l 1 . 5 . 1014 . 1 1 11 LYS CA C 6.279 -2.800 -3.676 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . c34337_6q8l 1 . 5 . 1015 . 1 1 11 LYS CB C 5.813 -3.648 -4.901 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . c34337_6q8l 1 . 5 . 1016 . 1 1 11 LYS CD C 5.782 -6.072 -5.781 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . c34337_6q8l 1 . 5 . 1017 . 1 1 11 LYS CE C 4.892 -7.328 -5.799 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . c34337_6q8l 1 . 5 . 1018 . 1 1 11 LYS CG C 5.577 -5.137 -4.567 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . c34337_6q8l 1 . 5 . 1019 . 1 1 11 LYS H H 4.591 -1.403 -4.030 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . c34337_6q8l 1 . 5 . 1020 . 1 1 11 LYS HA H 6.417 -3.488 -2.818 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . c34337_6q8l 1 . 5 . 1021 . 1 1 11 LYS HB2 H 4.887 -3.252 -5.368 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . c34337_6q8l 1 . 5 . 1022 . 1 1 11 LYS HB3 H 6.551 -3.555 -5.722 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . c34337_6q8l 1 . 5 . 1023 . 1 1 11 LYS HD2 H 5.595 -5.513 -6.721 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . c34337_6q8l 1 . 5 . 1024 . 1 1 11 LYS HD3 H 6.856 -6.346 -5.848 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . c34337_6q8l 1 . 5 . 1025 . 1 1 11 LYS HE2 H 3.825 -7.017 -5.865 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . c34337_6q8l 1 . 5 . 1026 . 1 1 11 LYS HE3 H 5.078 -7.893 -6.740 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . c34337_6q8l 1 . 5 . 1027 . 1 1 11 LYS HG2 H 6.262 -5.471 -3.762 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . c34337_6q8l 1 . 5 . 1028 . 1 1 11 LYS HG3 H 4.560 -5.236 -4.136 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . c34337_6q8l 1 . 5 . 1029 . 1 1 11 LYS HZ1 H 6.099 -8.523 -4.546 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . c34337_6q8l 1 . 5 . 1030 . 1 1 11 LYS HZ2 H 4.958 -7.681 -3.731 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . c34337_6q8l 1 . 5 . 1031 . 1 1 11 LYS HZ3 H 4.528 -9.026 -4.573 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . c34337_6q8l 1 . 5 . 1032 . 1 1 11 LYS N N 5.163 -1.874 -3.322 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . c34337_6q8l 1 . 5 . 1033 . 1 1 11 LYS NZ N 5.129 -8.192 -4.608 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . c34337_6q8l 1 . 5 . 1034 . 1 1 11 LYS O O 8.529 -2.597 -4.640 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . c34337_6q8l 1 . 5 . 1035 . 1 1 12 GLY C C 9.891 -0.497 -1.328 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . c34337_6q8l 1 . 5 . 1036 . 1 1 12 GLY CA C 9.403 -0.621 -2.798 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . c34337_6q8l 1 . 5 . 1037 . 1 1 12 GLY H H 7.254 -0.943 -2.347 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . c34337_6q8l 1 . 5 . 1038 . 1 1 12 GLY HA2 H 10.155 -1.212 -3.354 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . c34337_6q8l 1 . 5 . 1039 . 1 1 12 GLY HA3 H 9.452 0.388 -3.247 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . c34337_6q8l 1 . 5 . 1040 . 1 1 12 GLY N N 8.023 -1.142 -3.003 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . c34337_6q8l 1 . 5 . 1041 . 1 1 12 GLY O O 10.832 0.256 -1.075 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . c34337_6q8l 1 . 5 . 1042 . 1 1 13 TYR C C 9.888 -2.665 1.558 . . . 1.0 . . . . . . . . . . . . A . 12 TYR C . . . . . . . . . c34337_6q8l 1 . 5 . 1043 . 1 1 13 TYR CA C 9.640 -1.203 1.068 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CA . . . . . . . . . c34337_6q8l 1 . 5 . 1044 . 1 1 13 TYR CB C 8.547 -0.415 1.868 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CB . . . . . . . . . c34337_6q8l 1 . 5 . 1045 . 1 1 13 TYR CD1 C 9.060 2.042 1.411 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD1 . . . . . . . . . c34337_6q8l 1 . 5 . 1046 . 1 1 13 TYR CD2 C 9.260 1.225 3.677 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD2 . . . . . . . . . c34337_6q8l 1 . 5 . 1047 . 1 1 13 TYR CE1 C 9.465 3.309 1.834 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE1 . . . . . . . . . c34337_6q8l 1 . 5 . 1048 . 1 1 13 TYR CE2 C 9.663 2.493 4.097 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE2 . . . . . . . . . c34337_6q8l 1 . 5 . 1049 . 1 1 13 TYR CG C 8.965 0.992 2.328 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CG . . . . . . . . . c34337_6q8l 1 . 5 . 1050 . 1 1 13 TYR CZ C 9.772 3.527 3.174 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CZ . . . . . . . . . c34337_6q8l 1 . 5 . 1051 . 1 1 13 TYR H H 8.497 -1.782 -0.739 . . . 1.0 . . . . . . . . . . . . A . 12 TYR H . . . . . . . . . c34337_6q8l 1 . 5 . 1052 . 1 1 13 TYR HA H 10.620 -0.699 1.206 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HA . . . . . . . . . c34337_6q8l 1 . 5 . 1053 . 1 1 13 TYR HB2 H 7.600 -0.337 1.297 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB2 . . . . . . . . . c34337_6q8l 1 . 5 . 1054 . 1 1 13 TYR HB3 H 8.240 -0.995 2.759 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB3 . . . . . . . . . c34337_6q8l 1 . 5 . 1055 . 1 1 13 TYR HD1 H 8.847 1.878 0.365 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD1 . . . . . . . . . c34337_6q8l 1 . 5 . 1056 . 1 1 13 TYR HD2 H 9.187 0.429 4.402 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD2 . . . . . . . . . c34337_6q8l 1 . 5 . 1057 . 1 1 13 TYR HE1 H 9.559 4.115 1.124 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE1 . . . . . . . . . c34337_6q8l 1 . 5 . 1058 . 1 1 13 TYR HE2 H 9.888 2.660 5.140 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE2 . . . . . . . . . c34337_6q8l 1 . 5 . 1059 . 1 1 13 TYR HH H 10.615 4.679 4.441 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HH . . . . . . . . . c34337_6q8l 1 . 5 . 1060 . 1 1 13 TYR N N 9.277 -1.224 -0.376 . . . 1.0 . . . . . . . . . . . . A . 12 TYR N . . . . . . . . . c34337_6q8l 1 . 5 . 1061 . 1 1 13 TYR O O 11.022 -3.092 1.752 . . . 1.0 . . . . . . . . . . . . A . 12 TYR O . . . . . . . . . c34337_6q8l 1 . 5 . 1062 . 1 1 13 TYR OH O 10.215 4.761 3.574 . . . 1.0 . . . . . . . . . . . . A . 12 TYR OH . . . . . . . . . c34337_6q8l 1 . 5 . 1063 . 1 1 14 NH2 HN1 H 9.174 -4.419 2.120 . . . 1.0 . . . . . . . . . . . . A . 13 NH2 HN1 . . . . . . . . . c34337_6q8l 1 . 5 . 1064 . 1 1 14 NH2 HN2 H 7.936 -3.134 1.649 . . . 1.0 . . . . . . . . . . . . A . 13 NH2 HN2 . . . . . . . . . c34337_6q8l 1 . 5 . 1065 . 1 1 14 NH2 N N 8.884 -3.500 1.776 . . . 1.0 . . . . . . . . . . . . A . 13 NH2 N . . . . . . . . . c34337_6q8l 1 . 6 . 1066 . 1 1 1 ACE C C -8.845 -4.940 -0.520 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c34337_6q8l 1 . 6 . 1067 . 1 1 1 ACE CH3 C -8.467 -6.405 -0.419 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c34337_6q8l 1 . 6 . 1068 . 1 1 1 ACE H1 H -8.937 -6.971 -1.243 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c34337_6q8l 1 . 6 . 1069 . 1 1 1 ACE H2 H -7.378 -6.592 -0.467 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c34337_6q8l 1 . 6 . 1070 . 1 1 1 ACE H3 H -8.844 -6.825 0.530 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . c34337_6q8l 1 . 6 . 1071 . 1 1 1 ACE O O -10.013 -4.617 -0.731 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c34337_6q8l 1 . 6 . 1072 . 1 1 2 ARG C C -7.383 -1.915 -1.587 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c34337_6q8l 1 . 6 . 1073 . 1 1 2 ARG CA C -8.071 -2.589 -0.348 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c34337_6q8l 1 . 6 . 1074 . 1 1 2 ARG CB C -7.543 -1.983 0.984 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c34337_6q8l 1 . 6 . 1075 . 1 1 2 ARG CD C -7.659 -2.096 3.594 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c34337_6q8l 1 . 6 . 1076 . 1 1 2 ARG CG C -8.335 -2.419 2.250 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c34337_6q8l 1 . 6 . 1077 . 1 1 2 ARG CZ C -5.718 -3.037 4.876 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c34337_6q8l 1 . 6 . 1078 . 1 1 2 ARG H H -6.927 -4.487 -0.259 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H . . . . . . . . . c34337_6q8l 1 . 6 . 1079 . 1 1 2 ARG HA H -9.155 -2.369 -0.398 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c34337_6q8l 1 . 6 . 1080 . 1 1 2 ARG HB2 H -6.465 -2.222 1.085 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c34337_6q8l 1 . 6 . 1081 . 1 1 2 ARG HB3 H -7.568 -0.877 0.930 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c34337_6q8l 1 . 6 . 1082 . 1 1 2 ARG HD2 H -7.416 -1.015 3.652 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c34337_6q8l 1 . 6 . 1083 . 1 1 2 ARG HD3 H -8.390 -2.297 4.405 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c34337_6q8l 1 . 6 . 1084 . 1 1 2 ARG HE H -6.077 -3.473 2.972 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c34337_6q8l 1 . 6 . 1085 . 1 1 2 ARG HG2 H -9.335 -1.943 2.223 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c34337_6q8l 1 . 6 . 1086 . 1 1 2 ARG HG3 H -8.558 -3.504 2.214 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c34337_6q8l 1 . 6 . 1087 . 1 1 2 ARG HH11 H -4.120 -3.863 5.717 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c34337_6q8l 1 . 6 . 1088 . 1 1 2 ARG HH12 H -4.445 -4.250 3.964 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c34337_6q8l 1 . 6 . 1089 . 1 1 2 ARG HH21 H -5.421 -2.557 6.809 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c34337_6q8l 1 . 6 . 1090 . 1 1 2 ARG HH22 H -6.865 -1.853 5.932 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c34337_6q8l 1 . 6 . 1091 . 1 1 2 ARG N N -7.858 -4.065 -0.334 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c34337_6q8l 1 . 6 . 1092 . 1 1 2 ARG NE N -6.439 -2.934 3.764 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c34337_6q8l 1 . 6 . 1093 . 1 1 2 ARG NH1 N -4.657 -3.791 4.852 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c34337_6q8l 1 . 6 . 1094 . 1 1 2 ARG NH2 N -6.020 -2.423 5.993 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c34337_6q8l 1 . 6 . 1095 . 1 1 2 ARG O O -6.286 -2.344 -1.964 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c34337_6q8l 1 . 6 . 1096 . 1 1 3 PRO C C -5.907 0.704 -2.797 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . c34337_6q8l 1 . 6 . 1097 . 1 1 3 PRO CA C -7.188 -0.067 -3.273 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . c34337_6q8l 1 . 6 . 1098 . 1 1 3 PRO CB C -8.306 0.849 -3.809 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . c34337_6q8l 1 . 6 . 1099 . 1 1 3 PRO CD C -9.176 -0.155 -1.790 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . c34337_6q8l 1 . 6 . 1100 . 1 1 3 PRO CG C -9.182 1.150 -2.591 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . c34337_6q8l 1 . 6 . 1101 . 1 1 3 PRO HA H -6.871 -0.757 -4.080 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . c34337_6q8l 1 . 6 . 1102 . 1 1 3 PRO HB2 H -7.924 1.765 -4.301 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . c34337_6q8l 1 . 6 . 1103 . 1 1 3 PRO HB3 H -8.901 0.311 -4.573 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . c34337_6q8l 1 . 6 . 1104 . 1 1 3 PRO HD2 H -9.198 0.052 -0.702 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . c34337_6q8l 1 . 6 . 1105 . 1 1 3 PRO HD3 H -10.057 -0.778 -2.035 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . c34337_6q8l 1 . 6 . 1106 . 1 1 3 PRO HG2 H -8.725 1.970 -2.006 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . c34337_6q8l 1 . 6 . 1107 . 1 1 3 PRO HG3 H -10.201 1.485 -2.858 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . c34337_6q8l 1 . 6 . 1108 . 1 1 3 PRO N N -7.928 -0.828 -2.218 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . c34337_6q8l 1 . 6 . 1109 . 1 1 3 PRO O O -4.929 0.814 -3.539 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . c34337_6q8l 1 . 6 . 1110 . 1 1 4 LEU C C -3.691 0.733 -0.278 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c34337_6q8l 1 . 6 . 1111 . 1 1 4 LEU CA C -4.709 1.779 -0.872 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c34337_6q8l 1 . 6 . 1112 . 1 1 4 LEU CB C -5.226 2.773 0.213 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c34337_6q8l 1 . 6 . 1113 . 1 1 4 LEU CD1 C -7.671 3.523 0.277 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c34337_6q8l 1 . 6 . 1114 . 1 1 4 LEU CD2 C -5.854 5.268 0.249 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c34337_6q8l 1 . 6 . 1115 . 1 1 4 LEU CG C -6.254 3.863 -0.226 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c34337_6q8l 1 . 6 . 1116 . 1 1 4 LEU H H -6.749 0.929 -1.025 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c34337_6q8l 1 . 6 . 1117 . 1 1 4 LEU HA H -4.140 2.375 -1.615 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c34337_6q8l 1 . 6 . 1118 . 1 1 4 LEU HB2 H -5.630 2.193 1.066 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c34337_6q8l 1 . 6 . 1119 . 1 1 4 LEU HB3 H -4.337 3.263 0.652 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c34337_6q8l 1 . 6 . 1120 . 1 1 4 LEU HD11 H -7.955 2.483 0.043 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c34337_6q8l 1 . 6 . 1121 . 1 1 4 LEU HD12 H -7.763 3.635 1.374 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c34337_6q8l 1 . 6 . 1122 . 1 1 4 LEU HD13 H -8.435 4.174 -0.188 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c34337_6q8l 1 . 6 . 1123 . 1 1 4 LEU HD21 H -4.995 5.652 -0.332 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c34337_6q8l 1 . 6 . 1124 . 1 1 4 LEU HD22 H -6.672 6.001 0.124 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c34337_6q8l 1 . 6 . 1125 . 1 1 4 LEU HD23 H -5.562 5.281 1.316 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c34337_6q8l 1 . 6 . 1126 . 1 1 4 LEU HG H -6.295 3.898 -1.335 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c34337_6q8l 1 . 6 . 1127 . 1 1 4 LEU N N -5.897 1.175 -1.536 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c34337_6q8l 1 . 6 . 1128 . 1 1 4 LEU O O -3.073 0.963 0.768 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c34337_6q8l 1 . 6 . 1129 . 1 1 5 ASP C C -0.872 -0.689 -1.231 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c34337_6q8l 1 . 6 . 1130 . 1 1 5 ASP CA C -2.265 -1.266 -0.759 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c34337_6q8l 1 . 6 . 1131 . 1 1 5 ASP CB C -2.632 -2.626 -1.420 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c34337_6q8l 1 . 6 . 1132 . 1 1 5 ASP CG C -1.960 -3.832 -0.764 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c34337_6q8l 1 . 6 . 1133 . 1 1 5 ASP H H -3.962 -0.413 -1.886 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c34337_6q8l 1 . 6 . 1134 . 1 1 5 ASP HA H -2.184 -1.429 0.334 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c34337_6q8l 1 . 6 . 1135 . 1 1 5 ASP HB2 H -3.719 -2.831 -1.370 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c34337_6q8l 1 . 6 . 1136 . 1 1 5 ASP HB3 H -2.402 -2.613 -2.502 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c34337_6q8l 1 . 6 . 1137 . 1 1 5 ASP N N -3.435 -0.372 -1.003 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c34337_6q8l 1 . 6 . 1138 . 1 1 5 ASP O O 0.177 -1.223 -0.875 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c34337_6q8l 1 . 6 . 1139 . 1 1 5 ASP OD1 O -2.408 -4.248 0.331 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c34337_6q8l 1 . 6 . 1140 . 1 1 5 ASP OD2 O -0.987 -4.368 -1.334 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c34337_6q8l 1 . 6 . 1141 . 1 1 6 THR C C 0.638 2.538 -2.010 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . c34337_6q8l 1 . 6 . 1142 . 1 1 6 THR CA C 0.353 1.081 -2.559 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . c34337_6q8l 1 . 6 . 1143 . 1 1 6 THR CB C 0.382 0.960 -4.131 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . c34337_6q8l 1 . 6 . 1144 . 1 1 6 THR CG2 C -0.404 -0.192 -4.800 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . c34337_6q8l 1 . 6 . 1145 . 1 1 6 THR H H -1.813 0.716 -2.262 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . c34337_6q8l 1 . 6 . 1146 . 1 1 6 THR HA H 1.226 0.521 -2.195 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . c34337_6q8l 1 . 6 . 1147 . 1 1 6 THR HB H 1.443 0.828 -4.419 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . c34337_6q8l 1 . 6 . 1148 . 1 1 6 THR HG1 H 0.642 2.535 -5.222 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . c34337_6q8l 1 . 6 . 1149 . 1 1 6 THR HG21 H -0.197 -0.277 -5.881 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . c34337_6q8l 1 . 6 . 1150 . 1 1 6 THR HG22 H -0.191 -1.170 -4.331 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . c34337_6q8l 1 . 6 . 1151 . 1 1 6 THR HG23 H -1.496 -0.025 -4.698 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . c34337_6q8l 1 . 6 . 1152 . 1 1 6 THR N N -0.869 0.419 -2.000 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . c34337_6q8l 1 . 6 . 1153 . 1 1 6 THR O O 1.563 3.214 -2.463 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . c34337_6q8l 1 . 6 . 1154 . 1 1 6 THR OG1 O -0.102 2.146 -4.755 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . c34337_6q8l 1 . 6 . 1155 . 1 1 7 VAL C C 0.727 4.167 1.030 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c34337_6q8l 1 . 6 . 1156 . 1 1 7 VAL CA C -0.018 4.321 -0.335 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c34337_6q8l 1 . 6 . 1157 . 1 1 7 VAL CB C -1.463 4.959 -0.272 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c34337_6q8l 1 . 6 . 1158 . 1 1 7 VAL CG1 C -1.789 5.845 0.956 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c34337_6q8l 1 . 6 . 1159 . 1 1 7 VAL CG2 C -1.758 5.778 -1.546 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c34337_6q8l 1 . 6 . 1160 . 1 1 7 VAL H H -0.827 2.287 -0.731 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c34337_6q8l 1 . 6 . 1161 . 1 1 7 VAL HA H 0.633 4.992 -0.932 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c34337_6q8l 1 . 6 . 1162 . 1 1 7 VAL HB H -2.218 4.147 -0.231 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c34337_6q8l 1 . 6 . 1163 . 1 1 7 VAL HG11 H -1.045 6.649 1.105 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c34337_6q8l 1 . 6 . 1164 . 1 1 7 VAL HG12 H -2.786 6.317 0.886 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c34337_6q8l 1 . 6 . 1165 . 1 1 7 VAL HG13 H -1.808 5.247 1.887 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c34337_6q8l 1 . 6 . 1166 . 1 1 7 VAL HG21 H -1.034 6.604 -1.681 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c34337_6q8l 1 . 6 . 1167 . 1 1 7 VAL HG22 H -1.705 5.148 -2.453 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c34337_6q8l 1 . 6 . 1168 . 1 1 7 VAL HG23 H -2.768 6.229 -1.532 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c34337_6q8l 1 . 6 . 1169 . 1 1 7 VAL N N -0.143 2.995 -1.016 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c34337_6q8l 1 . 6 . 1170 . 1 1 7 VAL O O 1.753 4.815 1.253 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c34337_6q8l 1 . 6 . 1171 . 1 1 8 GLN C C 2.170 2.087 3.090 . . . 1.0 . . . . . . . . . . . . A . 7 GLN C . . . . . . . . . c34337_6q8l 1 . 6 . 1172 . 1 1 8 GLN CA C 0.896 2.981 3.214 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CA . . . . . . . . . c34337_6q8l 1 . 6 . 1173 . 1 1 8 GLN CB C -0.161 2.352 4.173 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CB . . . . . . . . . c34337_6q8l 1 . 6 . 1174 . 1 1 8 GLN CD C -1.128 2.709 6.538 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CD . . . . . . . . . c34337_6q8l 1 . 6 . 1175 . 1 1 8 GLN CG C -0.742 3.354 5.205 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CG . . . . . . . . . c34337_6q8l 1 . 6 . 1176 . 1 1 8 GLN H H -0.582 2.775 1.581 . . . 1.0 . . . . . . . . . . . . A . 7 GLN H . . . . . . . . . c34337_6q8l 1 . 6 . 1177 . 1 1 8 GLN HA H 1.276 3.922 3.660 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HA . . . . . . . . . c34337_6q8l 1 . 6 . 1178 . 1 1 8 GLN HB2 H -0.993 1.865 3.622 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB2 . . . . . . . . . c34337_6q8l 1 . 6 . 1179 . 1 1 8 GLN HB3 H 0.296 1.500 4.718 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB3 . . . . . . . . . c34337_6q8l 1 . 6 . 1180 . 1 1 8 GLN HE21 H -3.024 3.297 6.361 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE21 . . . . . . . . . c34337_6q8l 1 . 6 . 1181 . 1 1 8 GLN HE22 H -2.507 2.386 7.879 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE22 . . . . . . . . . c34337_6q8l 1 . 6 . 1182 . 1 1 8 GLN HG2 H 0.006 4.127 5.457 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG2 . . . . . . . . . c34337_6q8l 1 . 6 . 1183 . 1 1 8 GLN HG3 H -1.583 3.915 4.753 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG3 . . . . . . . . . c34337_6q8l 1 . 6 . 1184 . 1 1 8 GLN N N 0.208 3.322 1.939 . . . 1.0 . . . . . . . . . . . . A . 7 GLN N . . . . . . . . . c34337_6q8l 1 . 6 . 1185 . 1 1 8 GLN NE2 N -2.373 2.758 6.935 . . . 1.0 . . . . . . . . . . . . A . 7 GLN NE2 . . . . . . . . . c34337_6q8l 1 . 6 . 1186 . 1 1 8 GLN O O 3.085 2.210 3.907 . . . 1.0 . . . . . . . . . . . . A . 7 GLN O . . . . . . . . . c34337_6q8l 1 . 6 . 1187 . 1 1 8 GLN OE1 O -0.297 2.162 7.257 . . . 1.0 . . . . . . . . . . . . A . 7 GLN OE1 . . . . . . . . . c34337_6q8l 1 . 6 . 1188 . 1 1 9 ARG C C 3.326 -0.340 0.484 . . . 1.0 . . . . . . . . . . . . A . 8 ARG C . . . . . . . . . c34337_6q8l 1 . 6 . 1189 . 1 1 9 ARG CA C 3.301 0.182 1.962 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CA . . . . . . . . . c34337_6q8l 1 . 6 . 1190 . 1 1 9 ARG CB C 3.186 -0.924 3.052 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CB . . . . . . . . . c34337_6q8l 1 . 6 . 1191 . 1 1 9 ARG CD C 2.164 -3.250 2.824 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CD . . . . . . . . . c34337_6q8l 1 . 6 . 1192 . 1 1 9 ARG CG C 1.875 -1.766 3.072 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CG . . . . . . . . . c34337_6q8l 1 . 6 . 1193 . 1 1 9 ARG CZ C 0.940 -5.345 3.411 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CZ . . . . . . . . . c34337_6q8l 1 . 6 . 1194 . 1 1 9 ARG H H 1.416 1.218 1.465 . . . 1.0 . . . . . . . . . . . . A . 8 ARG H . . . . . . . . . c34337_6q8l 1 . 6 . 1195 . 1 1 9 ARG HA H 4.270 0.684 2.146 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HA . . . . . . . . . c34337_6q8l 1 . 6 . 1196 . 1 1 9 ARG HB2 H 4.082 -1.569 2.965 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB2 . . . . . . . . . c34337_6q8l 1 . 6 . 1197 . 1 1 9 ARG HB3 H 3.313 -0.451 4.045 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB3 . . . . . . . . . c34337_6q8l 1 . 6 . 1198 . 1 1 9 ARG HD2 H 2.533 -3.392 1.786 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD2 . . . . . . . . . c34337_6q8l 1 . 6 . 1199 . 1 1 9 ARG HD3 H 2.991 -3.556 3.496 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD3 . . . . . . . . . c34337_6q8l 1 . 6 . 1200 . 1 1 9 ARG HE H 0.014 -3.671 2.850 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HE . . . . . . . . . c34337_6q8l 1 . 6 . 1201 . 1 1 9 ARG HG2 H 1.356 -1.615 4.039 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG2 . . . . . . . . . c34337_6q8l 1 . 6 . 1202 . 1 1 9 ARG HG3 H 1.159 -1.402 2.307 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG3 . . . . . . . . . c34337_6q8l 1 . 6 . 1203 . 1 1 9 ARG HH11 H -0.179 -6.910 3.884 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH11 . . . . . . . . . c34337_6q8l 1 . 6 . 1204 . 1 1 9 ARG HH12 H -1.034 -5.375 3.387 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH12 . . . . . . . . . c34337_6q8l 1 . 6 . 1205 . 1 1 9 ARG HH21 H 1.961 -7.024 3.875 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH21 . . . . . . . . . c34337_6q8l 1 . 6 . 1206 . 1 1 9 ARG HH22 H 2.884 -5.521 3.383 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH22 . . . . . . . . . c34337_6q8l 1 . 6 . 1207 . 1 1 9 ARG N N 2.203 1.162 2.118 . . . 1.0 . . . . . . . . . . . . A . 8 ARG N . . . . . . . . . c34337_6q8l 1 . 6 . 1208 . 1 1 9 ARG NE N 0.942 -4.066 3.039 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NE . . . . . . . . . c34337_6q8l 1 . 6 . 1209 . 1 1 9 ARG NH1 N -0.203 -5.930 3.599 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH1 . . . . . . . . . c34337_6q8l 1 . 6 . 1210 . 1 1 9 ARG NH2 N 2.033 -6.044 3.599 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH2 . . . . . . . . . c34337_6q8l 1 . 6 . 1211 . 1 1 9 ARG O O 2.841 -1.449 0.239 . . . 1.0 . . . . . . . . . . . . A . 8 ARG O . . . . . . . . . c34337_6q8l 1 . 6 . 1212 . 1 1 10 PRO C C 4.947 -1.371 -2.081 . . . 1.0 . . . . . . . . . . . . A . 9 PRO C . . . . . . . . . c34337_6q8l 1 . 6 . 1213 . 1 1 10 PRO CA C 3.969 -0.173 -1.924 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CA . . . . . . . . . c34337_6q8l 1 . 6 . 1214 . 1 1 10 PRO CB C 4.371 1.098 -2.707 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CB . . . . . . . . . c34337_6q8l 1 . 6 . 1215 . 1 1 10 PRO CD C 4.486 1.713 -0.389 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CD . . . . . . . . . c34337_6q8l 1 . 6 . 1216 . 1 1 10 PRO CG C 5.208 1.914 -1.720 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CG . . . . . . . . . c34337_6q8l 1 . 6 . 1217 . 1 1 10 PRO HA H 2.985 -0.541 -2.259 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HA . . . . . . . . . c34337_6q8l 1 . 6 . 1218 . 1 1 10 PRO HB2 H 4.913 0.896 -3.650 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HB2 . . . . . . . . . c34337_6q8l 1 . 6 . 1219 . 1 1 10 PRO HB3 H 3.469 1.671 -2.995 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HB3 . . . . . . . . . c34337_6q8l 1 . 6 . 1220 . 1 1 10 PRO HD2 H 5.199 1.777 0.454 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HD2 . . . . . . . . . c34337_6q8l 1 . 6 . 1221 . 1 1 10 PRO HD3 H 3.703 2.482 -0.235 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HD3 . . . . . . . . . c34337_6q8l 1 . 6 . 1222 . 1 1 10 PRO HG2 H 6.236 1.504 -1.664 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HG2 . . . . . . . . . c34337_6q8l 1 . 6 . 1223 . 1 1 10 PRO HG3 H 5.296 2.979 -2.004 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HG3 . . . . . . . . . c34337_6q8l 1 . 6 . 1224 . 1 1 10 PRO N N 3.879 0.373 -0.541 . . . 1.0 . . . . . . . . . . . . A . 9 PRO N . . . . . . . . . c34337_6q8l 1 . 6 . 1225 . 1 1 10 PRO O O 5.638 -1.794 -1.143 . . . 1.0 . . . . . . . . . . . . A . 9 PRO O . . . . . . . . . c34337_6q8l 1 . 6 . 1226 . 1 1 11 LYS C C 7.615 -2.199 -3.828 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . c34337_6q8l 1 . 6 . 1227 . 1 1 11 LYS CA C 6.170 -2.817 -3.675 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . c34337_6q8l 1 . 6 . 1228 . 1 1 11 LYS CB C 5.690 -3.659 -4.899 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . c34337_6q8l 1 . 6 . 1229 . 1 1 11 LYS CD C 5.635 -6.133 -5.725 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . c34337_6q8l 1 . 6 . 1230 . 1 1 11 LYS CE C 4.367 -6.856 -6.218 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . c34337_6q8l 1 . 6 . 1231 . 1 1 11 LYS CG C 5.459 -5.146 -4.544 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . c34337_6q8l 1 . 6 . 1232 . 1 1 11 LYS H H 4.521 -1.375 -4.027 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . c34337_6q8l 1 . 6 . 1233 . 1 1 11 LYS HA H 6.294 -3.505 -2.813 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . c34337_6q8l 1 . 6 . 1234 . 1 1 11 LYS HB2 H 4.766 -3.257 -5.364 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . c34337_6q8l 1 . 6 . 1235 . 1 1 11 LYS HB3 H 6.428 -3.573 -5.718 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . c34337_6q8l 1 . 6 . 1236 . 1 1 11 LYS HD2 H 6.101 -5.615 -6.589 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . c34337_6q8l 1 . 6 . 1237 . 1 1 11 LYS HD3 H 6.406 -6.880 -5.449 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . c34337_6q8l 1 . 6 . 1238 . 1 1 11 LYS HE2 H 3.657 -6.118 -6.651 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . c34337_6q8l 1 . 6 . 1239 . 1 1 11 LYS HE3 H 4.643 -7.518 -7.070 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . c34337_6q8l 1 . 6 . 1240 . 1 1 11 LYS HG2 H 6.169 -5.461 -3.752 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . c34337_6q8l 1 . 6 . 1241 . 1 1 11 LYS HG3 H 4.468 -5.233 -4.058 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . c34337_6q8l 1 . 6 . 1242 . 1 1 11 LYS HZ1 H 4.389 -8.306 -4.684 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . c34337_6q8l 1 . 6 . 1243 . 1 1 11 LYS HZ2 H 3.407 -7.042 -4.360 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . c34337_6q8l 1 . 6 . 1244 . 1 1 11 LYS HZ3 H 2.914 -8.195 -5.421 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . c34337_6q8l 1 . 6 . 1245 . 1 1 11 LYS N N 5.074 -1.871 -3.319 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . c34337_6q8l 1 . 6 . 1246 . 1 1 11 LYS NZ N 3.733 -7.648 -5.125 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . c34337_6q8l 1 . 6 . 1247 . 1 1 11 LYS O O 8.432 -2.675 -4.620 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . c34337_6q8l 1 . 6 . 1248 . 1 1 12 GLY C C 9.813 -0.647 -1.286 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . c34337_6q8l 1 . 6 . 1249 . 1 1 12 GLY CA C 9.340 -0.731 -2.763 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . c34337_6q8l 1 . 6 . 1250 . 1 1 12 GLY H H 7.181 -0.989 -2.338 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . c34337_6q8l 1 . 6 . 1251 . 1 1 12 GLY HA2 H 10.079 -1.340 -3.318 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . c34337_6q8l 1 . 6 . 1252 . 1 1 12 GLY HA3 H 9.430 0.282 -3.196 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . c34337_6q8l 1 . 6 . 1253 . 1 1 12 GLY N N 7.947 -1.202 -2.993 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . c34337_6q8l 1 . 6 . 1254 . 1 1 12 GLY O O 10.783 0.060 -1.017 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . c34337_6q8l 1 . 6 . 1255 . 1 1 13 TYR C C 9.729 -2.885 1.559 . . . 1.0 . . . . . . . . . . . . A . 12 TYR C . . . . . . . . . c34337_6q8l 1 . 6 . 1256 . 1 1 13 TYR CA C 9.554 -1.407 1.088 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CA . . . . . . . . . c34337_6q8l 1 . 6 . 1257 . 1 1 13 TYR CB C 8.551 -0.567 1.955 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CB . . . . . . . . . c34337_6q8l 1 . 6 . 1258 . 1 1 13 TYR CD1 C 10.262 1.052 2.955 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD1 . . . . . . . . . c34337_6q8l 1 . 6 . 1259 . 1 1 13 TYR CD2 C 8.097 1.912 2.322 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD2 . . . . . . . . . c34337_6q8l 1 . 6 . 1260 . 1 1 13 TYR CE1 C 10.635 2.320 3.396 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE1 . . . . . . . . . c34337_6q8l 1 . 6 . 1261 . 1 1 13 TYR CE2 C 8.467 3.179 2.781 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE2 . . . . . . . . . c34337_6q8l 1 . 6 . 1262 . 1 1 13 TYR CG C 8.995 0.844 2.389 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CG . . . . . . . . . c34337_6q8l 1 . 6 . 1263 . 1 1 13 TYR CZ C 9.742 3.376 3.310 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CZ . . . . . . . . . c34337_6q8l 1 . 6 . 1264 . 1 1 13 TYR H H 8.374 -1.899 -0.721 . . . 1.0 . . . . . . . . . . . . A . 12 TYR H . . . . . . . . . c34337_6q8l 1 . 6 . 1265 . 1 1 13 TYR HA H 10.571 -0.982 1.198 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HA . . . . . . . . . c34337_6q8l 1 . 6 . 1266 . 1 1 13 TYR HB2 H 7.565 -0.521 1.448 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB2 . . . . . . . . . c34337_6q8l 1 . 6 . 1267 . 1 1 13 TYR HB3 H 8.318 -1.105 2.893 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB3 . . . . . . . . . c34337_6q8l 1 . 6 . 1268 . 1 1 13 TYR HD1 H 10.962 0.238 3.061 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD1 . . . . . . . . . c34337_6q8l 1 . 6 . 1269 . 1 1 13 TYR HD2 H 7.097 1.768 1.938 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD2 . . . . . . . . . c34337_6q8l 1 . 6 . 1270 . 1 1 13 TYR HE1 H 11.621 2.475 3.812 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE1 . . . . . . . . . c34337_6q8l 1 . 6 . 1271 . 1 1 13 TYR HE2 H 7.761 3.992 2.737 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE2 . . . . . . . . . c34337_6q8l 1 . 6 . 1272 . 1 1 13 TYR HH H 9.396 5.229 3.628 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HH . . . . . . . . . c34337_6q8l 1 . 6 . 1273 . 1 1 13 TYR N N 9.164 -1.364 -0.347 . . . 1.0 . . . . . . . . . . . . A . 12 TYR N . . . . . . . . . c34337_6q8l 1 . 6 . 1274 . 1 1 13 TYR O O 10.841 -3.366 1.753 . . . 1.0 . . . . . . . . . . . . A . 12 TYR O . . . . . . . . . c34337_6q8l 1 . 6 . 1275 . 1 1 13 TYR OH O 10.119 4.614 3.760 . . . 1.0 . . . . . . . . . . . . A . 12 TYR OH . . . . . . . . . c34337_6q8l 1 . 6 . 1276 . 1 1 14 NH2 HN1 H 8.937 -4.588 2.156 . . . 1.0 . . . . . . . . . . . . A . 13 NH2 HN1 . . . . . . . . . c34337_6q8l 1 . 6 . 1277 . 1 1 14 NH2 HN2 H 7.758 -3.247 1.691 . . . 1.0 . . . . . . . . . . . . A . 13 NH2 HN2 . . . . . . . . . c34337_6q8l 1 . 6 . 1278 . 1 1 14 NH2 N N 8.687 -3.667 1.783 . . . 1.0 . . . . . . . . . . . . A . 13 NH2 N . . . . . . . . . c34337_6q8l 1 . 7 . 1279 . 1 1 1 ACE C C -8.701 -5.002 -0.339 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c34337_6q8l 1 . 7 . 1280 . 1 1 1 ACE CH3 C -8.289 -6.462 -0.321 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c34337_6q8l 1 . 7 . 1281 . 1 1 1 ACE H1 H -7.249 -6.637 -0.650 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c34337_6q8l 1 . 7 . 1282 . 1 1 1 ACE H2 H -8.401 -6.870 0.699 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c34337_6q8l 1 . 7 . 1283 . 1 1 1 ACE H3 H -8.951 -7.046 -0.984 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . c34337_6q8l 1 . 7 . 1284 . 1 1 1 ACE O O -9.886 -4.700 -0.219 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c34337_6q8l 1 . 7 . 1285 . 1 1 2 ARG C C -7.318 -1.915 -1.637 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c34337_6q8l 1 . 7 . 1286 . 1 1 2 ARG CA C -7.953 -2.634 -0.398 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c34337_6q8l 1 . 7 . 1287 . 1 1 2 ARG CB C -7.423 -2.032 0.941 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c34337_6q8l 1 . 7 . 1288 . 1 1 2 ARG CD C -7.682 -2.036 3.560 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c34337_6q8l 1 . 7 . 1289 . 1 1 2 ARG CG C -8.158 -2.575 2.191 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c34337_6q8l 1 . 7 . 1290 . 1 1 2 ARG CZ C -6.872 -4.129 4.711 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c34337_6q8l 1 . 7 . 1291 . 1 1 2 ARG H H -6.779 -4.510 -0.552 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H . . . . . . . . . c34337_6q8l 1 . 7 . 1292 . 1 1 2 ARG HA H -9.042 -2.441 -0.434 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c34337_6q8l 1 . 7 . 1293 . 1 1 2 ARG HB2 H -6.330 -2.195 1.028 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c34337_6q8l 1 . 7 . 1294 . 1 1 2 ARG HB3 H -7.542 -0.931 0.920 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c34337_6q8l 1 . 7 . 1295 . 1 1 2 ARG HD2 H -7.284 -1.007 3.444 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c34337_6q8l 1 . 7 . 1296 . 1 1 2 ARG HD3 H -8.552 -1.899 4.235 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c34337_6q8l 1 . 7 . 1297 . 1 1 2 ARG HE H -5.697 -2.564 4.350 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c34337_6q8l 1 . 7 . 1298 . 1 1 2 ARG HG2 H -9.242 -2.380 2.079 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c34337_6q8l 1 . 7 . 1299 . 1 1 2 ARG HG3 H -8.083 -3.678 2.169 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c34337_6q8l 1 . 7 . 1300 . 1 1 2 ARG HH11 H -6.074 -5.699 5.620 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c34337_6q8l 1 . 7 . 1301 . 1 1 2 ARG HH12 H -4.991 -4.263 5.328 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c34337_6q8l 1 . 7 . 1302 . 1 1 2 ARG HH21 H -8.108 -5.701 4.986 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c34337_6q8l 1 . 7 . 1303 . 1 1 2 ARG HH22 H -8.747 -4.195 4.163 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c34337_6q8l 1 . 7 . 1304 . 1 1 2 ARG N N -7.715 -4.109 -0.441 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c34337_6q8l 1 . 7 . 1305 . 1 1 2 ARG NE N -6.657 -2.901 4.221 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c34337_6q8l 1 . 7 . 1306 . 1 1 2 ARG NH1 N -5.882 -4.757 5.272 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c34337_6q8l 1 . 7 . 1307 . 1 1 2 ARG NH2 N -8.028 -4.743 4.644 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c34337_6q8l 1 . 7 . 1308 . 1 1 2 ARG O O -6.222 -2.308 -2.055 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c34337_6q8l 1 . 7 . 1309 . 1 1 3 PRO C C -5.941 0.768 -2.805 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . c34337_6q8l 1 . 7 . 1310 . 1 1 3 PRO CA C -7.214 -0.021 -3.279 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . c34337_6q8l 1 . 7 . 1311 . 1 1 3 PRO CB C -8.367 0.875 -3.770 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . c34337_6q8l 1 . 7 . 1312 . 1 1 3 PRO CD C -9.166 -0.203 -1.760 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . c34337_6q8l 1 . 7 . 1313 . 1 1 3 PRO CG C -9.226 1.121 -2.527 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . c34337_6q8l 1 . 7 . 1314 . 1 1 3 PRO HA H -6.896 -0.683 -4.109 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . c34337_6q8l 1 . 7 . 1315 . 1 1 3 PRO HB2 H -8.021 1.812 -4.247 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . c34337_6q8l 1 . 7 . 1316 . 1 1 3 PRO HB3 H -8.963 0.338 -4.535 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . c34337_6q8l 1 . 7 . 1317 . 1 1 3 PRO HD2 H -9.173 -0.021 -0.667 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . c34337_6q8l 1 . 7 . 1318 . 1 1 3 PRO HD3 H -10.036 -0.844 -2.000 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . c34337_6q8l 1 . 7 . 1319 . 1 1 3 PRO HG2 H -8.780 1.938 -1.932 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . c34337_6q8l 1 . 7 . 1320 . 1 1 3 PRO HG3 H -10.259 1.434 -2.766 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . c34337_6q8l 1 . 7 . 1321 . 1 1 3 PRO N N -7.909 -0.829 -2.229 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . c34337_6q8l 1 . 7 . 1322 . 1 1 3 PRO O O -4.976 0.904 -3.559 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . c34337_6q8l 1 . 7 . 1323 . 1 1 4 LEU C C -3.710 0.764 -0.290 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c34337_6q8l 1 . 7 . 1324 . 1 1 4 LEU CA C -4.728 1.814 -0.878 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c34337_6q8l 1 . 7 . 1325 . 1 1 4 LEU CB C -5.244 2.798 0.215 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c34337_6q8l 1 . 7 . 1326 . 1 1 4 LEU CD1 C -7.631 3.713 0.328 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c34337_6q8l 1 . 7 . 1327 . 1 1 4 LEU CD2 C -5.705 5.326 0.199 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c34337_6q8l 1 . 7 . 1328 . 1 1 4 LEU CG C -6.213 3.941 -0.228 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c34337_6q8l 1 . 7 . 1329 . 1 1 4 LEU H H -6.760 0.945 -1.017 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c34337_6q8l 1 . 7 . 1330 . 1 1 4 LEU HA H -4.160 2.413 -1.617 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c34337_6q8l 1 . 7 . 1331 . 1 1 4 LEU HB2 H -5.697 2.208 1.036 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c34337_6q8l 1 . 7 . 1332 . 1 1 4 LEU HB3 H -4.355 3.242 0.702 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c34337_6q8l 1 . 7 . 1333 . 1 1 4 LEU HD11 H -8.335 4.501 0.001 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c34337_6q8l 1 . 7 . 1334 . 1 1 4 LEU HD12 H -8.052 2.751 -0.011 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c34337_6q8l 1 . 7 . 1335 . 1 1 4 LEU HD13 H -7.646 3.695 1.433 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c34337_6q8l 1 . 7 . 1336 . 1 1 4 LEU HD21 H -5.468 5.369 1.278 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c34337_6q8l 1 . 7 . 1337 . 1 1 4 LEU HD22 H -4.788 5.598 -0.352 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c34337_6q8l 1 . 7 . 1338 . 1 1 4 LEU HD23 H -6.445 6.122 -0.008 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c34337_6q8l 1 . 7 . 1339 . 1 1 4 LEU HG H -6.287 3.954 -1.336 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c34337_6q8l 1 . 7 . 1340 . 1 1 4 LEU N N -5.922 1.220 -1.538 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c34337_6q8l 1 . 7 . 1341 . 1 1 4 LEU O O -3.084 0.997 0.750 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c34337_6q8l 1 . 7 . 1342 . 1 1 5 ASP C C -0.894 -0.678 -1.256 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c34337_6q8l 1 . 7 . 1343 . 1 1 5 ASP CA C -2.284 -1.240 -0.758 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c34337_6q8l 1 . 7 . 1344 . 1 1 5 ASP CB C -2.658 -2.614 -1.384 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c34337_6q8l 1 . 7 . 1345 . 1 1 5 ASP CG C -1.922 -3.829 -0.809 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c34337_6q8l 1 . 7 . 1346 . 1 1 5 ASP H H -3.992 -0.403 -1.885 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c34337_6q8l 1 . 7 . 1347 . 1 1 5 ASP HA H -2.190 -1.382 0.336 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c34337_6q8l 1 . 7 . 1348 . 1 1 5 ASP HB2 H -3.732 -2.840 -1.248 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c34337_6q8l 1 . 7 . 1349 . 1 1 5 ASP HB3 H -2.515 -2.586 -2.481 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c34337_6q8l 1 . 7 . 1350 . 1 1 5 ASP N N -3.456 -0.347 -1.010 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c34337_6q8l 1 . 7 . 1351 . 1 1 5 ASP O O 0.154 -1.239 -0.938 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c34337_6q8l 1 . 7 . 1352 . 1 1 5 ASP OD1 O -1.534 -4.712 -1.602 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c34337_6q8l 1 . 7 . 1353 . 1 1 5 ASP OD2 O -1.765 -3.931 0.432 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c34337_6q8l 1 . 7 . 1354 . 1 1 6 THR C C 0.599 2.569 -2.042 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . c34337_6q8l 1 . 7 . 1355 . 1 1 6 THR CA C 0.341 1.098 -2.563 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . c34337_6q8l 1 . 7 . 1356 . 1 1 6 THR CB C 0.414 0.941 -4.133 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . c34337_6q8l 1 . 7 . 1357 . 1 1 6 THR CG2 C -0.427 -0.166 -4.809 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . c34337_6q8l 1 . 7 . 1358 . 1 1 6 THR H H -1.832 0.753 -2.252 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . c34337_6q8l 1 . 7 . 1359 . 1 1 6 THR HA H 1.212 0.558 -2.165 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . c34337_6q8l 1 . 7 . 1360 . 1 1 6 THR HB H 1.471 0.724 -4.382 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . c34337_6q8l 1 . 7 . 1361 . 1 1 6 THR HG1 H 0.654 2.832 -4.453 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . c34337_6q8l 1 . 7 . 1362 . 1 1 6 THR HG21 H -1.507 0.075 -4.756 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . c34337_6q8l 1 . 7 . 1363 . 1 1 6 THR HG22 H -0.179 -0.293 -5.877 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . c34337_6q8l 1 . 7 . 1364 . 1 1 6 THR HG23 H -0.298 -1.146 -4.312 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . c34337_6q8l 1 . 7 . 1365 . 1 1 6 THR N N -0.887 0.442 -2.008 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . c34337_6q8l 1 . 7 . 1366 . 1 1 6 THR O O 1.436 3.287 -2.596 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . c34337_6q8l 1 . 7 . 1367 . 1 1 6 THR OG1 O 0.065 2.152 -4.802 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . c34337_6q8l 1 . 7 . 1368 . 1 1 7 VAL C C 0.736 4.184 1.050 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c34337_6q8l 1 . 7 . 1369 . 1 1 7 VAL CA C -0.003 4.330 -0.322 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c34337_6q8l 1 . 7 . 1370 . 1 1 7 VAL CB C -1.453 4.960 -0.272 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c34337_6q8l 1 . 7 . 1371 . 1 1 7 VAL CG1 C -1.805 5.827 0.963 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c34337_6q8l 1 . 7 . 1372 . 1 1 7 VAL CG2 C -1.739 5.792 -1.539 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c34337_6q8l 1 . 7 . 1373 . 1 1 7 VAL H H -0.775 2.274 -0.677 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c34337_6q8l 1 . 7 . 1374 . 1 1 7 VAL HA H 0.648 5.002 -0.918 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c34337_6q8l 1 . 7 . 1375 . 1 1 7 VAL HB H -2.204 4.141 -0.256 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c34337_6q8l 1 . 7 . 1376 . 1 1 7 VAL HG11 H -1.027 6.584 1.178 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c34337_6q8l 1 . 7 . 1377 . 1 1 7 VAL HG12 H -2.768 6.360 0.856 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c34337_6q8l 1 . 7 . 1378 . 1 1 7 VAL HG13 H -1.905 5.204 1.872 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c34337_6q8l 1 . 7 . 1379 . 1 1 7 VAL HG21 H -2.800 6.093 -1.607 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c34337_6q8l 1 . 7 . 1380 . 1 1 7 VAL HG22 H -1.133 6.718 -1.567 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c34337_6q8l 1 . 7 . 1381 . 1 1 7 VAL HG23 H -1.511 5.226 -2.461 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c34337_6q8l 1 . 7 . 1382 . 1 1 7 VAL N N -0.113 2.994 -0.988 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c34337_6q8l 1 . 7 . 1383 . 1 1 7 VAL O O 1.760 4.829 1.284 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c34337_6q8l 1 . 7 . 1384 . 1 1 8 GLN C C 2.135 2.068 3.115 . . . 1.0 . . . . . . . . . . . . A . 7 GLN C . . . . . . . . . c34337_6q8l 1 . 7 . 1385 . 1 1 8 GLN CA C 0.865 2.970 3.231 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CA . . . . . . . . . c34337_6q8l 1 . 7 . 1386 . 1 1 8 GLN CB C -0.253 2.336 4.119 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CB . . . . . . . . . c34337_6q8l 1 . 7 . 1387 . 1 1 8 GLN CD C -0.111 3.185 6.566 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CD . . . . . . . . . c34337_6q8l 1 . 7 . 1388 . 1 1 8 GLN CG C -0.807 3.300 5.201 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CG . . . . . . . . . c34337_6q8l 1 . 7 . 1389 . 1 1 8 GLN H H -0.589 2.806 1.579 . . . 1.0 . . . . . . . . . . . . A . 7 GLN H . . . . . . . . . c34337_6q8l 1 . 7 . 1390 . 1 1 8 GLN HA H 1.233 3.899 3.714 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HA . . . . . . . . . c34337_6q8l 1 . 7 . 1391 . 1 1 8 GLN HB2 H -1.103 1.957 3.514 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB2 . . . . . . . . . c34337_6q8l 1 . 7 . 1392 . 1 1 8 GLN HB3 H 0.108 1.407 4.606 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB3 . . . . . . . . . c34337_6q8l 1 . 7 . 1393 . 1 1 8 GLN HE21 H -1.797 3.708 7.497 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE21 . . . . . . . . . c34337_6q8l 1 . 7 . 1394 . 1 1 8 GLN HE22 H -0.315 3.284 8.513 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE22 . . . . . . . . . c34337_6q8l 1 . 7 . 1395 . 1 1 8 GLN HG2 H -0.738 4.351 4.862 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG2 . . . . . . . . . c34337_6q8l 1 . 7 . 1396 . 1 1 8 GLN HG3 H -1.893 3.117 5.312 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG3 . . . . . . . . . c34337_6q8l 1 . 7 . 1397 . 1 1 8 GLN N N 0.206 3.337 1.948 . . . 1.0 . . . . . . . . . . . . A . 7 GLN N . . . . . . . . . c34337_6q8l 1 . 7 . 1398 . 1 1 8 GLN NE2 N -0.825 3.426 7.636 . . . 1.0 . . . . . . . . . . . . A . 7 GLN NE2 . . . . . . . . . c34337_6q8l 1 . 7 . 1399 . 1 1 8 GLN O O 3.049 2.186 3.934 . . . 1.0 . . . . . . . . . . . . A . 7 GLN O . . . . . . . . . c34337_6q8l 1 . 7 . 1400 . 1 1 8 GLN OE1 O 1.067 2.872 6.697 . . . 1.0 . . . . . . . . . . . . A . 7 GLN OE1 . . . . . . . . . c34337_6q8l 1 . 7 . 1401 . 1 1 9 ARG C C 3.299 -0.343 0.489 . . . 1.0 . . . . . . . . . . . . A . 8 ARG C . . . . . . . . . c34337_6q8l 1 . 7 . 1402 . 1 1 9 ARG CA C 3.278 0.179 1.967 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CA . . . . . . . . . c34337_6q8l 1 . 7 . 1403 . 1 1 9 ARG CB C 3.176 -0.929 3.057 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CB . . . . . . . . . c34337_6q8l 1 . 7 . 1404 . 1 1 9 ARG CD C 2.150 -3.253 2.833 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CD . . . . . . . . . c34337_6q8l 1 . 7 . 1405 . 1 1 9 ARG CG C 1.866 -1.771 3.088 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CG . . . . . . . . . c34337_6q8l 1 . 7 . 1406 . 1 1 9 ARG CZ C 0.906 -5.387 3.149 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CZ . . . . . . . . . c34337_6q8l 1 . 7 . 1407 . 1 1 9 ARG H H 1.390 1.213 1.479 . . . 1.0 . . . . . . . . . . . . A . 8 ARG H . . . . . . . . . c34337_6q8l 1 . 7 . 1408 . 1 1 9 ARG HA H 4.245 0.688 2.146 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HA . . . . . . . . . c34337_6q8l 1 . 7 . 1409 . 1 1 9 ARG HB2 H 4.071 -1.574 2.961 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB2 . . . . . . . . . c34337_6q8l 1 . 7 . 1410 . 1 1 9 ARG HB3 H 3.312 -0.457 4.050 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB3 . . . . . . . . . c34337_6q8l 1 . 7 . 1411 . 1 1 9 ARG HD2 H 2.537 -3.381 1.800 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD2 . . . . . . . . . c34337_6q8l 1 . 7 . 1412 . 1 1 9 ARG HD3 H 2.956 -3.582 3.520 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD3 . . . . . . . . . c34337_6q8l 1 . 7 . 1413 . 1 1 9 ARG HE H -0.006 -3.625 2.984 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HE . . . . . . . . . c34337_6q8l 1 . 7 . 1414 . 1 1 9 ARG HG2 H 1.354 -1.620 4.060 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG2 . . . . . . . . . c34337_6q8l 1 . 7 . 1415 . 1 1 9 ARG HG3 H 1.144 -1.404 2.328 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG3 . . . . . . . . . c34337_6q8l 1 . 7 . 1416 . 1 1 9 ARG HH11 H -0.220 -6.987 3.464 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH11 . . . . . . . . . c34337_6q8l 1 . 7 . 1417 . 1 1 9 ARG HH12 H -1.055 -5.366 3.364 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH12 . . . . . . . . . c34337_6q8l 1 . 7 . 1418 . 1 1 9 ARG HH21 H 1.900 -7.143 3.160 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH21 . . . . . . . . . c34337_6q8l 1 . 7 . 1419 . 1 1 9 ARG HH22 H 2.822 -5.591 2.843 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH22 . . . . . . . . . c34337_6q8l 1 . 7 . 1420 . 1 1 9 ARG N N 2.176 1.154 2.133 . . . 1.0 . . . . . . . . . . . . A . 8 ARG N . . . . . . . . . c34337_6q8l 1 . 7 . 1421 . 1 1 9 ARG NE N 0.921 -4.063 3.015 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NE . . . . . . . . . c34337_6q8l 1 . 7 . 1422 . 1 1 9 ARG NH1 N -0.233 -5.971 3.365 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH1 . . . . . . . . . c34337_6q8l 1 . 7 . 1423 . 1 1 9 ARG NH2 N 1.985 -6.129 3.075 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH2 . . . . . . . . . c34337_6q8l 1 . 7 . 1424 . 1 1 9 ARG O O 2.803 -1.447 0.243 . . . 1.0 . . . . . . . . . . . . A . 8 ARG O . . . . . . . . . c34337_6q8l 1 . 7 . 1425 . 1 1 10 PRO C C 4.928 -1.392 -2.072 . . . 1.0 . . . . . . . . . . . . A . 9 PRO C . . . . . . . . . c34337_6q8l 1 . 7 . 1426 . 1 1 10 PRO CA C 3.949 -0.189 -1.920 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CA . . . . . . . . . c34337_6q8l 1 . 7 . 1427 . 1 1 10 PRO CB C 4.345 1.083 -2.706 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CB . . . . . . . . . c34337_6q8l 1 . 7 . 1428 . 1 1 10 PRO CD C 4.474 1.700 -0.387 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CD . . . . . . . . . c34337_6q8l 1 . 7 . 1429 . 1 1 10 PRO CG C 5.184 1.903 -1.725 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CG . . . . . . . . . c34337_6q8l 1 . 7 . 1430 . 1 1 10 PRO HA H 2.961 -0.555 -2.253 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HA . . . . . . . . . c34337_6q8l 1 . 7 . 1431 . 1 1 10 PRO HB2 H 4.883 0.880 -3.650 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HB2 . . . . . . . . . c34337_6q8l 1 . 7 . 1432 . 1 1 10 PRO HB3 H 3.441 1.656 -2.989 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HB3 . . . . . . . . . c34337_6q8l 1 . 7 . 1433 . 1 1 10 PRO HD2 H 5.195 1.760 0.451 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HD2 . . . . . . . . . c34337_6q8l 1 . 7 . 1434 . 1 1 10 PRO HD3 H 3.695 2.472 -0.224 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HD3 . . . . . . . . . c34337_6q8l 1 . 7 . 1435 . 1 1 10 PRO HG2 H 6.215 1.498 -1.674 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HG2 . . . . . . . . . c34337_6q8l 1 . 7 . 1436 . 1 1 10 PRO HG3 H 5.267 2.968 -2.009 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HG3 . . . . . . . . . c34337_6q8l 1 . 7 . 1437 . 1 1 10 PRO N N 3.860 0.363 -0.538 . . . 1.0 . . . . . . . . . . . . A . 9 PRO N . . . . . . . . . c34337_6q8l 1 . 7 . 1438 . 1 1 10 PRO O O 5.628 -1.800 -1.136 . . . 1.0 . . . . . . . . . . . . A . 9 PRO O . . . . . . . . . c34337_6q8l 1 . 7 . 1439 . 1 1 11 LYS C C 7.583 -2.198 -3.842 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . c34337_6q8l 1 . 7 . 1440 . 1 1 11 LYS CA C 6.156 -2.850 -3.660 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . c34337_6q8l 1 . 7 . 1441 . 1 1 11 LYS CB C 5.680 -3.691 -4.882 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . c34337_6q8l 1 . 7 . 1442 . 1 1 11 LYS CD C 5.256 -6.091 -5.658 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . c34337_6q8l 1 . 7 . 1443 . 1 1 11 LYS CE C 4.183 -7.199 -5.718 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . c34337_6q8l 1 . 7 . 1444 . 1 1 11 LYS CG C 5.044 -5.058 -4.527 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . c34337_6q8l 1 . 7 . 1445 . 1 1 11 LYS H H 4.489 -1.427 -4.013 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . c34337_6q8l 1 . 7 . 1446 . 1 1 11 LYS HA H 6.305 -3.550 -2.813 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . c34337_6q8l 1 . 7 . 1447 . 1 1 11 LYS HB2 H 4.981 -3.120 -5.527 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . c34337_6q8l 1 . 7 . 1448 . 1 1 11 LYS HB3 H 6.539 -3.865 -5.557 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . c34337_6q8l 1 . 7 . 1449 . 1 1 11 LYS HD2 H 5.373 -5.568 -6.630 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . c34337_6q8l 1 . 7 . 1450 . 1 1 11 LYS HD3 H 6.254 -6.553 -5.510 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . c34337_6q8l 1 . 7 . 1451 . 1 1 11 LYS HE2 H 4.656 -8.193 -5.552 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . c34337_6q8l 1 . 7 . 1452 . 1 1 11 LYS HE3 H 3.453 -7.107 -4.882 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . c34337_6q8l 1 . 7 . 1453 . 1 1 11 LYS HG2 H 5.479 -5.471 -3.594 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . c34337_6q8l 1 . 7 . 1454 . 1 1 11 LYS HG3 H 3.972 -4.902 -4.291 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . c34337_6q8l 1 . 7 . 1455 . 1 1 11 LYS HZ1 H 3.097 -6.218 -7.223 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . c34337_6q8l 1 . 7 . 1456 . 1 1 11 LYS HZ2 H 4.132 -7.336 -7.818 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . c34337_6q8l 1 . 7 . 1457 . 1 1 11 LYS HZ3 H 2.713 -7.816 -7.129 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . c34337_6q8l 1 . 7 . 1458 . 1 1 11 LYS N N 5.046 -1.914 -3.303 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . c34337_6q8l 1 . 7 . 1459 . 1 1 11 LYS NZ N 3.490 -7.150 -7.035 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . c34337_6q8l 1 . 7 . 1460 . 1 1 11 LYS O O 8.384 -2.623 -4.677 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . c34337_6q8l 1 . 7 . 1461 . 1 1 12 GLY C C 9.863 -0.736 -1.321 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . c34337_6q8l 1 . 7 . 1462 . 1 1 12 GLY CA C 9.325 -0.753 -2.778 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . c34337_6q8l 1 . 7 . 1463 . 1 1 12 GLY H H 7.170 -1.024 -2.314 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . c34337_6q8l 1 . 7 . 1464 . 1 1 12 GLY HA2 H 10.048 -1.327 -3.387 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . c34337_6q8l 1 . 7 . 1465 . 1 1 12 GLY HA3 H 9.392 0.280 -3.166 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . c34337_6q8l 1 . 7 . 1466 . 1 1 12 GLY N N 7.929 -1.227 -2.982 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . c34337_6q8l 1 . 7 . 1467 . 1 1 12 GLY O O 10.915 -0.143 -1.095 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . c34337_6q8l 1 . 7 . 1468 . 1 1 13 TYR C C 9.717 -2.863 1.572 . . . 1.0 . . . . . . . . . . . . A . 12 TYR C . . . . . . . . . c34337_6q8l 1 . 7 . 1469 . 1 1 13 TYR CA C 9.550 -1.387 1.086 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CA . . . . . . . . . c34337_6q8l 1 . 7 . 1470 . 1 1 13 TYR CB C 8.517 -0.525 1.896 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CB . . . . . . . . . c34337_6q8l 1 . 7 . 1471 . 1 1 13 TYR CD1 C 9.785 1.710 1.599 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD1 . . . . . . . . . c34337_6q8l 1 . 7 . 1472 . 1 1 13 TYR CD2 C 8.466 1.361 3.588 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD2 . . . . . . . . . c34337_6q8l 1 . 7 . 1473 . 1 1 13 TYR CE1 C 10.192 2.950 2.088 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE1 . . . . . . . . . c34337_6q8l 1 . 7 . 1474 . 1 1 13 TYR CE2 C 8.868 2.606 4.073 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE2 . . . . . . . . . c34337_6q8l 1 . 7 . 1475 . 1 1 13 TYR CG C 8.941 0.889 2.360 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CG . . . . . . . . . c34337_6q8l 1 . 7 . 1476 . 1 1 13 TYR CZ C 9.744 3.389 3.325 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CZ . . . . . . . . . c34337_6q8l 1 . 7 . 1477 . 1 1 13 TYR H H 8.337 -1.853 -0.707 . . . 1.0 . . . . . . . . . . . . A . 12 TYR H . . . . . . . . . c34337_6q8l 1 . 7 . 1478 . 1 1 13 TYR HA H 10.559 -0.948 1.224 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HA . . . . . . . . . c34337_6q8l 1 . 7 . 1479 . 1 1 13 TYR HB2 H 7.557 -0.431 1.349 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB2 . . . . . . . . . c34337_6q8l 1 . 7 . 1480 . 1 1 13 TYR HB3 H 8.225 -1.097 2.799 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB3 . . . . . . . . . c34337_6q8l 1 . 7 . 1481 . 1 1 13 TYR HD1 H 10.154 1.392 0.642 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD1 . . . . . . . . . c34337_6q8l 1 . 7 . 1482 . 1 1 13 TYR HD2 H 7.789 0.765 4.185 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD2 . . . . . . . . . c34337_6q8l 1 . 7 . 1483 . 1 1 13 TYR HE1 H 10.874 3.559 1.512 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE1 . . . . . . . . . c34337_6q8l 1 . 7 . 1484 . 1 1 13 TYR HE2 H 8.500 2.953 5.026 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE2 . . . . . . . . . c34337_6q8l 1 . 7 . 1485 . 1 1 13 TYR HH H 10.018 4.617 4.760 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HH . . . . . . . . . c34337_6q8l 1 . 7 . 1486 . 1 1 13 TYR N N 9.171 -1.370 -0.354 . . . 1.0 . . . . . . . . . . . . A . 12 TYR N . . . . . . . . . c34337_6q8l 1 . 7 . 1487 . 1 1 13 TYR O O 10.827 -3.351 1.761 . . . 1.0 . . . . . . . . . . . . A . 12 TYR O . . . . . . . . . c34337_6q8l 1 . 7 . 1488 . 1 1 13 TYR OH O 10.197 4.583 3.819 . . . 1.0 . . . . . . . . . . . . A . 12 TYR OH . . . . . . . . . c34337_6q8l 1 . 7 . 1489 . 1 1 14 NH2 HN1 H 8.918 -4.576 2.139 . . . 1.0 . . . . . . . . . . . . A . 13 NH2 HN1 . . . . . . . . . c34337_6q8l 1 . 7 . 1490 . 1 1 14 NH2 HN2 H 7.743 -3.232 1.670 . . . 1.0 . . . . . . . . . . . . A . 13 NH2 HN2 . . . . . . . . . c34337_6q8l 1 . 7 . 1491 . 1 1 14 NH2 N N 8.672 -3.642 1.798 . . . 1.0 . . . . . . . . . . . . A . 13 NH2 N . . . . . . . . . c34337_6q8l 1 . 8 . 1492 . 1 1 1 ACE C C -8.648 -4.932 -0.319 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c34337_6q8l 1 . 8 . 1493 . 1 1 1 ACE CH3 C -8.127 -6.350 -0.168 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c34337_6q8l 1 . 8 . 1494 . 1 1 1 ACE H1 H -7.031 -6.416 -0.031 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c34337_6q8l 1 . 8 . 1495 . 1 1 1 ACE H2 H -8.607 -6.837 0.699 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c34337_6q8l 1 . 8 . 1496 . 1 1 1 ACE H3 H -8.384 -6.943 -1.063 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . c34337_6q8l 1 . 8 . 1497 . 1 1 1 ACE O O -9.833 -4.740 -0.591 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c34337_6q8l 1 . 8 . 1498 . 1 1 2 ARG C C -7.436 -1.894 -1.629 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c34337_6q8l 1 . 8 . 1499 . 1 1 2 ARG CA C -8.095 -2.513 -0.342 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c34337_6q8l 1 . 8 . 1500 . 1 1 2 ARG CB C -7.715 -1.706 0.943 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c34337_6q8l 1 . 8 . 1501 . 1 1 2 ARG CD C -9.035 -2.307 3.100 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c34337_6q8l 1 . 8 . 1502 . 1 1 2 ARG CG C -8.899 -1.370 1.885 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c34337_6q8l 1 . 8 . 1503 . 1 1 2 ARG CZ C -11.368 -1.849 3.936 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c34337_6q8l 1 . 8 . 1504 . 1 1 2 ARG H H -6.798 -4.279 -0.015 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H . . . . . . . . . c34337_6q8l 1 . 8 . 1505 . 1 1 2 ARG HA H -9.185 -2.421 -0.507 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c34337_6q8l 1 . 8 . 1506 . 1 1 2 ARG HB2 H -6.878 -2.181 1.495 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c34337_6q8l 1 . 8 . 1507 . 1 1 2 ARG HB3 H -7.267 -0.736 0.650 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c34337_6q8l 1 . 8 . 1508 . 1 1 2 ARG HD2 H -9.248 -3.351 2.792 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c34337_6q8l 1 . 8 . 1509 . 1 1 2 ARG HD3 H -8.054 -2.369 3.615 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c34337_6q8l 1 . 8 . 1510 . 1 1 2 ARG HE H -9.738 -1.299 4.922 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c34337_6q8l 1 . 8 . 1511 . 1 1 2 ARG HG2 H -8.780 -0.328 2.243 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c34337_6q8l 1 . 8 . 1512 . 1 1 2 ARG HG3 H -9.850 -1.344 1.318 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c34337_6q8l 1 . 8 . 1513 . 1 1 2 ARG HH11 H -13.122 -1.348 4.729 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c34337_6q8l 1 . 8 . 1514 . 1 1 2 ARG HH12 H -11.624 -0.853 5.637 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c34337_6q8l 1 . 8 . 1515 . 1 1 2 ARG HH21 H -12.986 -2.416 2.880 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c34337_6q8l 1 . 8 . 1516 . 1 1 2 ARG HH22 H -11.320 -2.840 2.245 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c34337_6q8l 1 . 8 . 1517 . 1 1 2 ARG N N -7.764 -3.952 -0.130 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c34337_6q8l 1 . 8 . 1518 . 1 1 2 ARG NE N -10.042 -1.788 4.074 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c34337_6q8l 1 . 8 . 1519 . 1 1 2 ARG NH1 N -12.109 -1.299 4.855 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c34337_6q8l 1 . 8 . 1520 . 1 1 2 ARG NH2 N -11.965 -2.426 2.923 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c34337_6q8l 1 . 8 . 1521 . 1 1 2 ARG O O -6.369 -2.356 -2.047 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c34337_6q8l 1 . 8 . 1522 . 1 1 3 PRO C C -5.953 0.747 -2.783 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . c34337_6q8l 1 . 8 . 1523 . 1 1 3 PRO CA C -7.239 -0.009 -3.280 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . c34337_6q8l 1 . 8 . 1524 . 1 1 3 PRO CB C -8.354 0.926 -3.792 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . c34337_6q8l 1 . 8 . 1525 . 1 1 3 PRO CD C -9.226 -0.122 -1.802 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . c34337_6q8l 1 . 8 . 1526 . 1 1 3 PRO CG C -9.223 1.203 -2.566 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . c34337_6q8l 1 . 8 . 1527 . 1 1 3 PRO HA H -6.926 -0.679 -4.105 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . c34337_6q8l 1 . 8 . 1528 . 1 1 3 PRO HB2 H -7.969 1.853 -4.262 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . c34337_6q8l 1 . 8 . 1529 . 1 1 3 PRO HB3 H -8.956 0.412 -4.566 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . c34337_6q8l 1 . 8 . 1530 . 1 1 3 PRO HD2 H -9.251 0.064 -0.712 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . c34337_6q8l 1 . 8 . 1531 . 1 1 3 PRO HD3 H -10.113 -0.732 -2.063 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . c34337_6q8l 1 . 8 . 1532 . 1 1 3 PRO HG2 H -8.752 1.997 -1.961 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . c34337_6q8l 1 . 8 . 1533 . 1 1 3 PRO HG3 H -10.239 1.561 -2.814 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . c34337_6q8l 1 . 8 . 1534 . 1 1 3 PRO N N -7.981 -0.795 -2.245 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . c34337_6q8l 1 . 8 . 1535 . 1 1 3 PRO O O -4.982 0.881 -3.529 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . c34337_6q8l 1 . 8 . 1536 . 1 1 4 LEU C C -3.695 0.757 -0.291 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c34337_6q8l 1 . 8 . 1537 . 1 1 4 LEU CA C -4.748 1.795 -0.842 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c34337_6q8l 1 . 8 . 1538 . 1 1 4 LEU CB C -5.268 2.778 0.261 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c34337_6q8l 1 . 8 . 1539 . 1 1 4 LEU CD1 C -7.746 3.482 0.136 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c34337_6q8l 1 . 8 . 1540 . 1 1 4 LEU CD2 C -5.990 5.263 0.404 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c34337_6q8l 1 . 8 . 1541 . 1 1 4 LEU CG C -6.286 3.874 -0.188 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c34337_6q8l 1 . 8 . 1542 . 1 1 4 LEU H H -6.795 0.956 -1.006 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c34337_6q8l 1 . 8 . 1543 . 1 1 4 LEU HA H -4.199 2.410 -1.583 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c34337_6q8l 1 . 8 . 1544 . 1 1 4 LEU HB2 H -5.676 2.201 1.114 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c34337_6q8l 1 . 8 . 1545 . 1 1 4 LEU HB3 H -4.377 3.268 0.696 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c34337_6q8l 1 . 8 . 1546 . 1 1 4 LEU HD11 H -7.907 2.389 0.123 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c34337_6q8l 1 . 8 . 1547 . 1 1 4 LEU HD12 H -8.074 3.821 1.136 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c34337_6q8l 1 . 8 . 1548 . 1 1 4 LEU HD13 H -8.449 3.918 -0.598 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c34337_6q8l 1 . 8 . 1549 . 1 1 4 LEU HD21 H -6.494 6.057 -0.179 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c34337_6q8l 1 . 8 . 1550 . 1 1 4 LEU HD22 H -6.331 5.361 1.451 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c34337_6q8l 1 . 8 . 1551 . 1 1 4 LEU HD23 H -4.912 5.501 0.390 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c34337_6q8l 1 . 8 . 1552 . 1 1 4 LEU HG H -6.198 3.978 -1.288 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c34337_6q8l 1 . 8 . 1553 . 1 1 4 LEU N N -5.934 1.182 -1.508 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c34337_6q8l 1 . 8 . 1554 . 1 1 4 LEU O O -3.069 0.975 0.752 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c34337_6q8l 1 . 8 . 1555 . 1 1 5 ASP C C -0.874 -0.710 -1.277 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c34337_6q8l 1 . 8 . 1556 . 1 1 5 ASP CA C -2.282 -1.255 -0.806 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c34337_6q8l 1 . 8 . 1557 . 1 1 5 ASP CB C -2.685 -2.614 -1.457 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c34337_6q8l 1 . 8 . 1558 . 1 1 5 ASP CG C -2.151 -3.849 -0.724 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c34337_6q8l 1 . 8 . 1559 . 1 1 5 ASP H H -3.980 -0.365 -1.916 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c34337_6q8l 1 . 8 . 1560 . 1 1 5 ASP HA H -2.202 -1.414 0.288 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c34337_6q8l 1 . 8 . 1561 . 1 1 5 ASP HB2 H -3.785 -2.741 -1.493 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c34337_6q8l 1 . 8 . 1562 . 1 1 5 ASP HB3 H -2.376 -2.653 -2.518 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c34337_6q8l 1 . 8 . 1563 . 1 1 5 ASP N N -3.429 -0.325 -1.048 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c34337_6q8l 1 . 8 . 1564 . 1 1 5 ASP O O 0.169 -1.183 -0.829 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c34337_6q8l 1 . 8 . 1565 . 1 1 5 ASP OD1 O -2.962 -4.577 -0.110 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c34337_6q8l 1 . 8 . 1566 . 1 1 5 ASP OD2 O -0.926 -4.092 -0.731 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c34337_6q8l 1 . 8 . 1567 . 1 1 6 THR C C 0.595 2.499 -2.007 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . c34337_6q8l 1 . 8 . 1568 . 1 1 6 THR CA C 0.362 1.056 -2.605 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . c34337_6q8l 1 . 8 . 1569 . 1 1 6 THR CB C 0.346 0.991 -4.167 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . c34337_6q8l 1 . 8 . 1570 . 1 1 6 THR CG2 C -0.881 1.626 -4.857 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . c34337_6q8l 1 . 8 . 1571 . 1 1 6 THR H H -1.802 0.629 -2.392 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . c34337_6q8l 1 . 8 . 1572 . 1 1 6 THR HA H 1.250 0.504 -2.272 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . c34337_6q8l 1 . 8 . 1573 . 1 1 6 THR HB H 0.374 -0.079 -4.461 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . c34337_6q8l 1 . 8 . 1574 . 1 1 6 THR HG1 H 2.014 0.927 -5.154 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . c34337_6q8l 1 . 8 . 1575 . 1 1 6 THR HG21 H -1.172 2.581 -4.384 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . c34337_6q8l 1 . 8 . 1576 . 1 1 6 THR HG22 H -0.703 1.827 -5.928 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . c34337_6q8l 1 . 8 . 1577 . 1 1 6 THR HG23 H -1.760 0.955 -4.798 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . c34337_6q8l 1 . 8 . 1578 . 1 1 6 THR N N -0.856 0.319 -2.145 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . c34337_6q8l 1 . 8 . 1579 . 1 1 6 THR O O 1.546 3.188 -2.382 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . c34337_6q8l 1 . 8 . 1580 . 1 1 6 THR OG1 O 1.510 1.610 -4.708 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . c34337_6q8l 1 . 8 . 1581 . 1 1 7 VAL C C 0.677 4.090 1.021 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c34337_6q8l 1 . 8 . 1582 . 1 1 7 VAL CA C -0.080 4.256 -0.337 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c34337_6q8l 1 . 8 . 1583 . 1 1 7 VAL CB C -1.498 4.947 -0.280 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c34337_6q8l 1 . 8 . 1584 . 1 1 7 VAL CG1 C -1.780 5.849 0.947 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c34337_6q8l 1 . 8 . 1585 . 1 1 7 VAL CG2 C -1.755 5.774 -1.559 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c34337_6q8l 1 . 8 . 1586 . 1 1 7 VAL H H -0.900 2.224 -0.753 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c34337_6q8l 1 . 8 . 1587 . 1 1 7 VAL HA H 0.588 4.922 -0.923 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c34337_6q8l 1 . 8 . 1588 . 1 1 7 VAL HB H -2.280 4.162 -0.241 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c34337_6q8l 1 . 8 . 1589 . 1 1 7 VAL HG11 H -2.737 6.394 0.866 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c34337_6q8l 1 . 8 . 1590 . 1 1 7 VAL HG12 H -1.851 5.246 1.873 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c34337_6q8l 1 . 8 . 1591 . 1 1 7 VAL HG13 H -0.982 6.596 1.110 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c34337_6q8l 1 . 8 . 1592 . 1 1 7 VAL HG21 H -0.975 6.544 -1.716 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c34337_6q8l 1 . 8 . 1593 . 1 1 7 VAL HG22 H -1.762 5.134 -2.461 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c34337_6q8l 1 . 8 . 1594 . 1 1 7 VAL HG23 H -2.728 6.300 -1.535 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c34337_6q8l 1 . 8 . 1595 . 1 1 7 VAL N N -0.228 2.942 -1.043 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c34337_6q8l 1 . 8 . 1596 . 1 1 7 VAL O O 1.708 4.730 1.240 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c34337_6q8l 1 . 8 . 1597 . 1 1 8 GLN C C 2.121 2.007 3.094 . . . 1.0 . . . . . . . . . . . . A . 7 GLN C . . . . . . . . . c34337_6q8l 1 . 8 . 1598 . 1 1 8 GLN CA C 0.845 2.904 3.205 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CA . . . . . . . . . c34337_6q8l 1 . 8 . 1599 . 1 1 8 GLN CB C -0.231 2.285 4.150 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CB . . . . . . . . . c34337_6q8l 1 . 8 . 1600 . 1 1 8 GLN CD C -1.716 2.678 6.226 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CD . . . . . . . . . c34337_6q8l 1 . 8 . 1601 . 1 1 8 GLN CG C -0.747 3.287 5.208 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CG . . . . . . . . . c34337_6q8l 1 . 8 . 1602 . 1 1 8 GLN H H -0.643 2.712 1.577 . . . 1.0 . . . . . . . . . . . . A . 7 GLN H . . . . . . . . . c34337_6q8l 1 . 8 . 1603 . 1 1 8 GLN HA H 1.220 3.846 3.655 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HA . . . . . . . . . c34337_6q8l 1 . 8 . 1604 . 1 1 8 GLN HB2 H -1.091 1.862 3.588 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB2 . . . . . . . . . c34337_6q8l 1 . 8 . 1605 . 1 1 8 GLN HB3 H 0.180 1.401 4.679 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB3 . . . . . . . . . c34337_6q8l 1 . 8 . 1606 . 1 1 8 GLN HE21 H -3.001 4.183 5.967 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE21 . . . . . . . . . c34337_6q8l 1 . 8 . 1607 . 1 1 8 GLN HE22 H -3.405 2.874 7.202 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE22 . . . . . . . . . c34337_6q8l 1 . 8 . 1608 . 1 1 8 GLN HG2 H 0.110 3.688 5.780 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG2 . . . . . . . . . c34337_6q8l 1 . 8 . 1609 . 1 1 8 GLN HG3 H -1.193 4.161 4.697 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG3 . . . . . . . . . c34337_6q8l 1 . 8 . 1610 . 1 1 8 GLN N N 0.159 3.246 1.927 . . . 1.0 . . . . . . . . . . . . A . 7 GLN N . . . . . . . . . c34337_6q8l 1 . 8 . 1611 . 1 1 8 GLN NE2 N -2.846 3.299 6.457 . . . 1.0 . . . . . . . . . . . . A . 7 GLN NE2 . . . . . . . . . c34337_6q8l 1 . 8 . 1612 . 1 1 8 GLN O O 3.002 2.088 3.954 . . . 1.0 . . . . . . . . . . . . A . 7 GLN O . . . . . . . . . c34337_6q8l 1 . 8 . 1613 . 1 1 8 GLN OE1 O -1.459 1.653 6.848 . . . 1.0 . . . . . . . . . . . . A . 7 GLN OE1 . . . . . . . . . c34337_6q8l 1 . 8 . 1614 . 1 1 9 ARG C C 3.346 -0.329 0.423 . . . 1.0 . . . . . . . . . . . . A . 8 ARG C . . . . . . . . . c34337_6q8l 1 . 8 . 1615 . 1 1 9 ARG CA C 3.298 0.152 1.915 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CA . . . . . . . . . c34337_6q8l 1 . 8 . 1616 . 1 1 9 ARG CB C 3.158 -1.006 2.946 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CB . . . . . . . . . c34337_6q8l 1 . 8 . 1617 . 1 1 9 ARG CD C 2.004 -3.305 2.681 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CD . . . . . . . . . c34337_6q8l 1 . 8 . 1618 . 1 1 9 ARG CG C 1.818 -1.792 2.893 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CG . . . . . . . . . c34337_6q8l 1 . 8 . 1619 . 1 1 9 ARG CZ C 0.037 -4.249 3.912 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CZ . . . . . . . . . c34337_6q8l 1 . 8 . 1620 . 1 1 9 ARG H H 1.424 1.209 1.411 . . . 1.0 . . . . . . . . . . . . A . 8 ARG H . . . . . . . . . c34337_6q8l 1 . 8 . 1621 . 1 1 9 ARG HA H 4.265 0.645 2.136 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HA . . . . . . . . . c34337_6q8l 1 . 8 . 1622 . 1 1 9 ARG HB2 H 4.026 -1.682 2.823 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB2 . . . . . . . . . c34337_6q8l 1 . 8 . 1623 . 1 1 9 ARG HB3 H 3.290 -0.591 3.965 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB3 . . . . . . . . . c34337_6q8l 1 . 8 . 1624 . 1 1 9 ARG HD2 H 2.435 -3.473 1.671 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD2 . . . . . . . . . c34337_6q8l 1 . 8 . 1625 . 1 1 9 ARG HD3 H 2.756 -3.730 3.378 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD3 . . . . . . . . . c34337_6q8l 1 . 8 . 1626 . 1 1 9 ARG HE H 0.208 -4.308 1.919 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HE . . . . . . . . . c34337_6q8l 1 . 8 . 1627 . 1 1 9 ARG HG2 H 1.232 -1.558 3.801 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG2 . . . . . . . . . c34337_6q8l 1 . 8 . 1628 . 1 1 9 ARG HG3 H 1.173 -1.418 2.071 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG3 . . . . . . . . . c34337_6q8l 1 . 8 . 1629 . 1 1 9 ARG HH11 H -1.589 -5.032 4.726 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH11 . . . . . . . . . c34337_6q8l 1 . 8 . 1630 . 1 1 9 ARG HH12 H -1.418 -5.136 2.908 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH12 . . . . . . . . . c34337_6q8l 1 . 8 . 1631 . 1 1 9 ARG HH21 H -0.106 -4.015 5.918 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH21 . . . . . . . . . c34337_6q8l 1 . 8 . 1632 . 1 1 9 ARG HH22 H 1.350 -3.343 5.031 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH22 . . . . . . . . . c34337_6q8l 1 . 8 . 1633 . 1 1 9 ARG N N 2.198 1.132 2.080 . . . 1.0 . . . . . . . . . . . . A . 8 ARG N . . . . . . . . . c34337_6q8l 1 . 8 . 1634 . 1 1 9 ARG NE N 0.699 -4.015 2.776 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NE . . . . . . . . . c34337_6q8l 1 . 8 . 1635 . 1 1 9 ARG NH1 N -1.100 -4.870 3.845 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH1 . . . . . . . . . c34337_6q8l 1 . 8 . 1636 . 1 1 9 ARG NH2 N 0.473 -3.867 5.090 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH2 . . . . . . . . . c34337_6q8l 1 . 8 . 1637 . 1 1 9 ARG O O 2.865 -1.431 0.137 . . . 1.0 . . . . . . . . . . . . A . 8 ARG O . . . . . . . . . c34337_6q8l 1 . 8 . 1638 . 1 1 10 PRO C C 4.999 -1.315 -2.123 . . . 1.0 . . . . . . . . . . . . A . 9 PRO C . . . . . . . . . c34337_6q8l 1 . 8 . 1639 . 1 1 10 PRO CA C 4.030 -0.108 -1.964 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CA . . . . . . . . . c34337_6q8l 1 . 8 . 1640 . 1 1 10 PRO CB C 4.448 1.179 -2.708 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CB . . . . . . . . . c34337_6q8l 1 . 8 . 1641 . 1 1 10 PRO CD C 4.528 1.738 -0.374 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CD . . . . . . . . . c34337_6q8l 1 . 8 . 1642 . 1 1 10 PRO CG C 5.273 1.965 -1.688 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CG . . . . . . . . . c34337_6q8l 1 . 8 . 1643 . 1 1 10 PRO HA H 3.049 -0.462 -2.327 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HA . . . . . . . . . c34337_6q8l 1 . 8 . 1644 . 1 1 10 PRO HB2 H 5.001 0.997 -3.649 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HB2 . . . . . . . . . c34337_6q8l 1 . 8 . 1645 . 1 1 10 PRO HB3 H 3.551 1.765 -2.990 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HB3 . . . . . . . . . c34337_6q8l 1 . 8 . 1646 . 1 1 10 PRO HD2 H 5.226 1.776 0.484 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HD2 . . . . . . . . . c34337_6q8l 1 . 8 . 1647 . 1 1 10 PRO HD3 H 3.746 2.508 -0.214 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HD3 . . . . . . . . . c34337_6q8l 1 . 8 . 1648 . 1 1 10 PRO HG2 H 6.297 1.547 -1.623 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HG2 . . . . . . . . . c34337_6q8l 1 . 8 . 1649 . 1 1 10 PRO HG3 H 5.371 3.036 -1.944 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HG3 . . . . . . . . . c34337_6q8l 1 . 8 . 1650 . 1 1 10 PRO N N 3.915 0.408 -0.573 . . . 1.0 . . . . . . . . . . . . A . 9 PRO N . . . . . . . . . c34337_6q8l 1 . 8 . 1651 . 1 1 10 PRO O O 5.665 -1.761 -1.180 . . . 1.0 . . . . . . . . . . . . A . 9 PRO O . . . . . . . . . c34337_6q8l 1 . 8 . 1652 . 1 1 11 LYS C C 7.667 -2.142 -3.850 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . c34337_6q8l 1 . 8 . 1653 . 1 1 11 LYS CA C 6.227 -2.775 -3.701 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . c34337_6q8l 1 . 8 . 1654 . 1 1 11 LYS CB C 5.761 -3.601 -4.929 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . c34337_6q8l 1 . 8 . 1655 . 1 1 11 LYS CD C 4.513 -5.796 -5.521 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . c34337_6q8l 1 . 8 . 1656 . 1 1 11 LYS CE C 3.173 -6.148 -6.206 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . c34337_6q8l 1 . 8 . 1657 . 1 1 11 LYS CG C 4.497 -4.479 -4.711 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . c34337_6q8l 1 . 8 . 1658 . 1 1 11 LYS H H 4.615 -1.295 -4.080 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . c34337_6q8l 1 . 8 . 1659 . 1 1 11 LYS HA H 6.326 -3.502 -2.869 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . c34337_6q8l 1 . 8 . 1660 . 1 1 11 LYS HB2 H 5.604 -2.932 -5.798 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . c34337_6q8l 1 . 8 . 1661 . 1 1 11 LYS HB3 H 6.609 -4.244 -5.230 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . c34337_6q8l 1 . 8 . 1662 . 1 1 11 LYS HD2 H 5.299 -5.762 -6.302 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . c34337_6q8l 1 . 8 . 1663 . 1 1 11 LYS HD3 H 4.876 -6.596 -4.841 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . c34337_6q8l 1 . 8 . 1664 . 1 1 11 LYS HE2 H 2.366 -5.437 -5.921 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . c34337_6q8l 1 . 8 . 1665 . 1 1 11 LYS HE3 H 3.279 -6.002 -7.305 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . c34337_6q8l 1 . 8 . 1666 . 1 1 11 LYS HG2 H 4.381 -4.729 -3.635 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . c34337_6q8l 1 . 8 . 1667 . 1 1 11 LYS HG3 H 3.604 -3.859 -4.926 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . c34337_6q8l 1 . 8 . 1668 . 1 1 11 LYS HZ1 H 3.484 -8.232 -6.155 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . c34337_6q8l 1 . 8 . 1669 . 1 1 11 LYS HZ2 H 2.612 -7.678 -4.882 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . c34337_6q8l 1 . 8 . 1670 . 1 1 11 LYS HZ3 H 1.897 -7.834 -6.354 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . c34337_6q8l 1 . 8 . 1671 . 1 1 11 LYS N N 5.144 -1.801 -3.364 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . c34337_6q8l 1 . 8 . 1672 . 1 1 11 LYS NZ N 2.768 -7.543 -5.890 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . c34337_6q8l 1 . 8 . 1673 . 1 1 11 LYS O O 8.463 -2.542 -4.702 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . c34337_6q8l 1 . 8 . 1674 . 1 1 12 GLY C C 9.845 -0.655 -1.211 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . c34337_6q8l 1 . 8 . 1675 . 1 1 12 GLY CA C 9.397 -0.731 -2.699 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . c34337_6q8l 1 . 8 . 1676 . 1 1 12 GLY H H 7.238 -1.024 -2.287 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . c34337_6q8l 1 . 8 . 1677 . 1 1 12 GLY HA2 H 10.143 -1.335 -3.250 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . c34337_6q8l 1 . 8 . 1678 . 1 1 12 GLY HA3 H 9.486 0.287 -3.122 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . c34337_6q8l 1 . 8 . 1679 . 1 1 12 GLY N N 8.008 -1.207 -2.947 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . c34337_6q8l 1 . 8 . 1680 . 1 1 12 GLY O O 10.803 0.058 -0.914 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . c34337_6q8l 1 . 8 . 1681 . 1 1 13 TYR C C 9.696 -2.910 1.602 . . . 1.0 . . . . . . . . . . . . A . 12 TYR C . . . . . . . . . c34337_6q8l 1 . 8 . 1682 . 1 1 13 TYR CA C 9.510 -1.425 1.155 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CA . . . . . . . . . c34337_6q8l 1 . 8 . 1683 . 1 1 13 TYR CB C 8.428 -0.630 1.963 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CB . . . . . . . . . c34337_6q8l 1 . 8 . 1684 . 1 1 13 TYR CD1 C 9.482 0.843 3.736 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD1 . . . . . . . . . c34337_6q8l 1 . 8 . 1685 . 1 1 13 TYR CD2 C 8.723 1.889 1.694 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD2 . . . . . . . . . c34337_6q8l 1 . 8 . 1686 . 1 1 13 TYR CE1 C 9.900 2.084 4.217 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE1 . . . . . . . . . c34337_6q8l 1 . 8 . 1687 . 1 1 13 TYR CE2 C 9.142 3.131 2.180 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE2 . . . . . . . . . c34337_6q8l 1 . 8 . 1688 . 1 1 13 TYR CG C 8.892 0.742 2.473 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CG . . . . . . . . . c34337_6q8l 1 . 8 . 1689 . 1 1 13 TYR CZ C 9.728 3.221 3.439 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CZ . . . . . . . . . c34337_6q8l 1 . 8 . 1690 . 1 1 13 TYR H H 8.395 -1.910 -0.693 . . . 1.0 . . . . . . . . . . . . A . 12 TYR H . . . . . . . . . c34337_6q8l 1 . 8 . 1691 . 1 1 13 TYR HA H 10.504 -0.961 1.331 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HA . . . . . . . . . c34337_6q8l 1 . 8 . 1692 . 1 1 13 TYR HB2 H 7.490 -0.516 1.384 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB2 . . . . . . . . . c34337_6q8l 1 . 8 . 1693 . 1 1 13 TYR HB3 H 8.095 -1.219 2.839 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB3 . . . . . . . . . c34337_6q8l 1 . 8 . 1694 . 1 1 13 TYR HD1 H 9.624 -0.034 4.351 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD1 . . . . . . . . . c34337_6q8l 1 . 8 . 1695 . 1 1 13 TYR HD2 H 8.281 1.825 0.711 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD2 . . . . . . . . . c34337_6q8l 1 . 8 . 1696 . 1 1 13 TYR HE1 H 10.358 2.157 5.192 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE1 . . . . . . . . . c34337_6q8l 1 . 8 . 1697 . 1 1 13 TYR HE2 H 9.020 4.017 1.575 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE2 . . . . . . . . . c34337_6q8l 1 . 8 . 1698 . 1 1 13 TYR HH H 9.383 4.861 4.346 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HH . . . . . . . . . c34337_6q8l 1 . 8 . 1699 . 1 1 13 TYR N N 9.178 -1.382 -0.295 . . . 1.0 . . . . . . . . . . . . A . 12 TYR N . . . . . . . . . c34337_6q8l 1 . 8 . 1700 . 1 1 13 TYR O O 10.811 -3.384 1.800 . . . 1.0 . . . . . . . . . . . . A . 12 TYR O . . . . . . . . . c34337_6q8l 1 . 8 . 1701 . 1 1 13 TYR OH O 10.131 4.439 3.921 . . . 1.0 . . . . . . . . . . . . A . 12 TYR OH . . . . . . . . . c34337_6q8l 1 . 8 . 1702 . 1 1 14 NH2 HN1 H 8.908 -4.654 2.098 . . . 1.0 . . . . . . . . . . . . A . 13 NH2 HN1 . . . . . . . . . c34337_6q8l 1 . 8 . 1703 . 1 1 14 NH2 HN2 H 7.726 -3.310 1.649 . . . 1.0 . . . . . . . . . . . . A . 13 NH2 HN2 . . . . . . . . . c34337_6q8l 1 . 8 . 1704 . 1 1 14 NH2 N N 8.658 -3.714 1.779 . . . 1.0 . . . . . . . . . . . . A . 13 NH2 N . . . . . . . . . c34337_6q8l 1 . 9 . 1705 . 1 1 1 ACE C C -10.364 -3.358 -0.026 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c34337_6q8l 1 . 9 . 1706 . 1 1 1 ACE CH3 C -11.604 -3.988 -0.630 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c34337_6q8l 1 . 9 . 1707 . 1 1 1 ACE H1 H -11.384 -4.790 -1.358 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c34337_6q8l 1 . 9 . 1708 . 1 1 1 ACE H2 H -12.231 -4.426 0.166 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c34337_6q8l 1 . 9 . 1709 . 1 1 1 ACE H3 H -12.207 -3.218 -1.142 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . c34337_6q8l 1 . 9 . 1710 . 1 1 1 ACE O O -10.446 -2.682 1.000 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c34337_6q8l 1 . 9 . 1711 . 1 1 2 ARG C C -7.315 -2.190 -1.592 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c34337_6q8l 1 . 9 . 1712 . 1 1 2 ARG CA C -7.961 -2.860 -0.329 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c34337_6q8l 1 . 9 . 1713 . 1 1 2 ARG CB C -7.060 -3.857 0.459 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c34337_6q8l 1 . 9 . 1714 . 1 1 2 ARG CD C -5.511 -3.967 2.533 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c34337_6q8l 1 . 9 . 1715 . 1 1 2 ARG CG C -5.897 -3.195 1.245 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c34337_6q8l 1 . 9 . 1716 . 1 1 2 ARG CZ C -6.196 -2.358 4.347 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c34337_6q8l 1 . 9 . 1717 . 1 1 2 ARG H H -9.332 -4.100 -1.553 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H . . . . . . . . . c34337_6q8l 1 . 9 . 1718 . 1 1 2 ARG HA H -8.173 -2.027 0.371 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c34337_6q8l 1 . 9 . 1719 . 1 1 2 ARG HB2 H -7.707 -4.421 1.160 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c34337_6q8l 1 . 9 . 1720 . 1 1 2 ARG HB3 H -6.657 -4.631 -0.225 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c34337_6q8l 1 . 9 . 1721 . 1 1 2 ARG HD2 H -6.260 -4.740 2.807 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c34337_6q8l 1 . 9 . 1722 . 1 1 2 ARG HD3 H -4.600 -4.565 2.324 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c34337_6q8l 1 . 9 . 1723 . 1 1 2 ARG HE H -4.327 -2.996 4.114 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c34337_6q8l 1 . 9 . 1724 . 1 1 2 ARG HG2 H -5.010 -3.088 0.590 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c34337_6q8l 1 . 9 . 1725 . 1 1 2 ARG HG3 H -6.152 -2.143 1.483 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c34337_6q8l 1 . 9 . 1726 . 1 1 2 ARG HH11 H -6.559 -1.093 5.834 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c34337_6q8l 1 . 9 . 1727 . 1 1 2 ARG HH12 H -4.848 -1.685 5.644 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c34337_6q8l 1 . 9 . 1728 . 1 1 2 ARG HH21 H -8.104 -1.717 4.493 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c34337_6q8l 1 . 9 . 1729 . 1 1 2 ARG HH22 H -7.655 -2.882 3.153 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c34337_6q8l 1 . 9 . 1730 . 1 1 2 ARG N N -9.226 -3.554 -0.692 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c34337_6q8l 1 . 9 . 1731 . 1 1 2 ARG NE N -5.265 -3.076 3.707 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c34337_6q8l 1 . 9 . 1732 . 1 1 2 ARG NH1 N -5.833 -1.646 5.374 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c34337_6q8l 1 . 9 . 1733 . 1 1 2 ARG NH2 N -7.455 -2.319 3.984 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c34337_6q8l 1 . 9 . 1734 . 1 1 2 ARG O O -6.267 -2.664 -2.044 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c34337_6q8l 1 . 9 . 1735 . 1 1 3 PRO C C -5.860 0.485 -2.753 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . c34337_6q8l 1 . 9 . 1736 . 1 1 3 PRO CA C -7.135 -0.297 -3.232 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . c34337_6q8l 1 . 9 . 1737 . 1 1 3 PRO CB C -8.273 0.604 -3.754 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . c34337_6q8l 1 . 9 . 1738 . 1 1 3 PRO CD C -9.101 -0.409 -1.721 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . c34337_6q8l 1 . 9 . 1739 . 1 1 3 PRO CG C -9.143 0.891 -2.529 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . c34337_6q8l 1 . 9 . 1740 . 1 1 3 PRO HA H -6.816 -0.978 -4.045 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . c34337_6q8l 1 . 9 . 1741 . 1 1 3 PRO HB2 H -7.910 1.526 -4.248 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . c34337_6q8l 1 . 9 . 1742 . 1 1 3 PRO HB3 H -8.869 0.058 -4.512 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . c34337_6q8l 1 . 9 . 1743 . 1 1 3 PRO HD2 H -9.112 -0.203 -0.633 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . c34337_6q8l 1 . 9 . 1744 . 1 1 3 PRO HD3 H -9.981 -1.041 -1.948 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . c34337_6q8l 1 . 9 . 1745 . 1 1 3 PRO HG2 H -8.699 1.724 -1.955 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . c34337_6q8l 1 . 9 . 1746 . 1 1 3 PRO HG3 H -10.172 1.203 -2.786 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . c34337_6q8l 1 . 9 . 1747 . 1 1 3 PRO N N -7.853 -1.071 -2.173 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . c34337_6q8l 1 . 9 . 1748 . 1 1 3 PRO O O -4.895 0.632 -3.506 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . c34337_6q8l 1 . 9 . 1749 . 1 1 4 LEU C C -3.600 0.567 -0.266 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c34337_6q8l 1 . 9 . 1750 . 1 1 4 LEU CA C -4.677 1.576 -0.824 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c34337_6q8l 1 . 9 . 1751 . 1 1 4 LEU CB C -5.232 2.537 0.280 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c34337_6q8l 1 . 9 . 1752 . 1 1 4 LEU CD1 C -7.736 3.094 0.311 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c34337_6q8l 1 . 9 . 1753 . 1 1 4 LEU CD2 C -6.080 4.977 0.389 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c34337_6q8l 1 . 9 . 1754 . 1 1 4 LEU CG C -6.336 3.559 -0.142 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c34337_6q8l 1 . 9 . 1755 . 1 1 4 LEU H H -6.699 0.681 -0.976 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c34337_6q8l 1 . 9 . 1756 . 1 1 4 LEU HA H -4.150 2.208 -1.566 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c34337_6q8l 1 . 9 . 1757 . 1 1 4 LEU HB2 H -5.580 1.938 1.145 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c34337_6q8l 1 . 9 . 1758 . 1 1 4 LEU HB3 H -4.365 3.085 0.694 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c34337_6q8l 1 . 9 . 1759 . 1 1 4 LEU HD11 H -8.539 3.647 -0.212 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c34337_6q8l 1 . 9 . 1760 . 1 1 4 LEU HD12 H -7.906 2.022 0.115 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c34337_6q8l 1 . 9 . 1761 . 1 1 4 LEU HD13 H -7.895 3.234 1.397 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c34337_6q8l 1 . 9 . 1762 . 1 1 4 LEU HD21 H -6.231 5.050 1.482 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c34337_6q8l 1 . 9 . 1763 . 1 1 4 LEU HD22 H -5.050 5.315 0.174 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c34337_6q8l 1 . 9 . 1764 . 1 1 4 LEU HD23 H -6.759 5.710 -0.086 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c34337_6q8l 1 . 9 . 1765 . 1 1 4 LEU HG H -6.339 3.631 -1.248 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c34337_6q8l 1 . 9 . 1766 . 1 1 4 LEU N N -5.844 0.927 -1.483 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c34337_6q8l 1 . 9 . 1767 . 1 1 4 LEU O O -2.974 0.812 0.769 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c34337_6q8l 1 . 9 . 1768 . 1 1 5 ASP C C -0.756 -0.856 -1.283 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c34337_6q8l 1 . 9 . 1769 . 1 1 5 ASP CA C -2.140 -1.413 -0.764 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c34337_6q8l 1 . 9 . 1770 . 1 1 5 ASP CB C -2.520 -2.797 -1.366 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c34337_6q8l 1 . 9 . 1771 . 1 1 5 ASP CG C -1.836 -4.023 -0.743 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c34337_6q8l 1 . 9 . 1772 . 1 1 5 ASP H H -3.861 -0.577 -1.879 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c34337_6q8l 1 . 9 . 1773 . 1 1 5 ASP HA H -2.034 -1.541 0.330 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c34337_6q8l 1 . 9 . 1774 . 1 1 5 ASP HB2 H -3.604 -2.999 -1.276 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c34337_6q8l 1 . 9 . 1775 . 1 1 5 ASP HB3 H -2.343 -2.796 -2.460 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c34337_6q8l 1 . 9 . 1776 . 1 1 5 ASP N N -3.317 -0.523 -1.007 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c34337_6q8l 1 . 9 . 1777 . 1 1 5 ASP O O 0.302 -1.366 -0.917 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c34337_6q8l 1 . 9 . 1778 . 1 1 5 ASP OD1 O -1.667 -5.022 -1.473 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c34337_6q8l 1 . 9 . 1779 . 1 1 5 ASP OD2 O -1.513 -4.026 0.472 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c34337_6q8l 1 . 9 . 1780 . 1 1 6 THR C C 0.610 2.432 -1.989 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . c34337_6q8l 1 . 9 . 1781 . 1 1 6 THR CA C 0.427 0.974 -2.570 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . c34337_6q8l 1 . 9 . 1782 . 1 1 6 THR CB C 0.420 0.881 -4.130 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . c34337_6q8l 1 . 9 . 1783 . 1 1 6 THR CG2 C -0.797 1.521 -4.834 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . c34337_6q8l 1 . 9 . 1784 . 1 1 6 THR H H -1.726 0.513 -2.325 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . c34337_6q8l 1 . 9 . 1785 . 1 1 6 THR HA H 1.328 0.456 -2.221 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . c34337_6q8l 1 . 9 . 1786 . 1 1 6 THR HB H 0.441 -0.194 -4.403 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . c34337_6q8l 1 . 9 . 1787 . 1 1 6 THR HG1 H 1.507 1.404 -5.627 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . c34337_6q8l 1 . 9 . 1788 . 1 1 6 THR HG21 H -1.120 2.456 -4.337 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . c34337_6q8l 1 . 9 . 1789 . 1 1 6 THR HG22 H -0.609 1.763 -5.895 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . c34337_6q8l 1 . 9 . 1790 . 1 1 6 THR HG23 H -1.666 0.836 -4.811 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . c34337_6q8l 1 . 9 . 1791 . 1 1 6 THR N N -0.772 0.212 -2.102 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . c34337_6q8l 1 . 9 . 1792 . 1 1 6 THR O O 1.518 3.162 -2.393 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . c34337_6q8l 1 . 9 . 1793 . 1 1 6 THR OG1 O 1.600 1.458 -4.673 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . c34337_6q8l 1 . 9 . 1794 . 1 1 7 VAL C C 0.653 4.009 1.053 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c34337_6q8l 1 . 9 . 1795 . 1 1 7 VAL CA C -0.108 4.159 -0.302 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c34337_6q8l 1 . 9 . 1796 . 1 1 7 VAL CB C -1.551 4.796 -0.237 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c34337_6q8l 1 . 9 . 1797 . 1 1 7 VAL CG1 C -1.874 5.666 1.003 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c34337_6q8l 1 . 9 . 1798 . 1 1 7 VAL CG2 C -1.831 5.639 -1.501 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c34337_6q8l 1 . 9 . 1799 . 1 1 7 VAL H H -0.854 2.100 -0.714 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c34337_6q8l 1 . 9 . 1800 . 1 1 7 VAL HA H 0.534 4.849 -0.886 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c34337_6q8l 1 . 9 . 1801 . 1 1 7 VAL HB H -2.304 3.983 -0.221 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c34337_6q8l 1 . 9 . 1802 . 1 1 7 VAL HG11 H -1.083 6.411 1.210 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c34337_6q8l 1 . 9 . 1803 . 1 1 7 VAL HG12 H -2.830 6.213 0.908 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c34337_6q8l 1 . 9 . 1804 . 1 1 7 VAL HG13 H -1.969 5.040 1.911 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c34337_6q8l 1 . 9 . 1805 . 1 1 7 VAL HG21 H -2.874 6.001 -1.536 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c34337_6q8l 1 . 9 . 1806 . 1 1 7 VAL HG22 H -1.172 6.527 -1.556 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c34337_6q8l 1 . 9 . 1807 . 1 1 7 VAL HG23 H -1.663 5.055 -2.426 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c34337_6q8l 1 . 9 . 1808 . 1 1 7 VAL N N -0.211 2.842 -1.009 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c34337_6q8l 1 . 9 . 1809 . 1 1 7 VAL O O 1.669 4.674 1.269 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c34337_6q8l 1 . 9 . 1810 . 1 1 8 GLN C C 2.164 1.962 3.103 . . . 1.0 . . . . . . . . . . . . A . 7 GLN C . . . . . . . . . c34337_6q8l 1 . 9 . 1811 . 1 1 8 GLN CA C 0.867 2.822 3.229 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CA . . . . . . . . . c34337_6q8l 1 . 9 . 1812 . 1 1 8 GLN CB C -0.168 2.169 4.196 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CB . . . . . . . . . c34337_6q8l 1 . 9 . 1813 . 1 1 8 GLN CD C -1.119 2.459 6.577 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CD . . . . . . . . . c34337_6q8l 1 . 9 . 1814 . 1 1 8 GLN CG C -0.732 3.145 5.261 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CG . . . . . . . . . c34337_6q8l 1 . 9 . 1815 . 1 1 8 GLN H H -0.628 2.593 1.613 . . . 1.0 . . . . . . . . . . . . A . 7 GLN H . . . . . . . . . c34337_6q8l 1 . 9 . 1816 . 1 1 8 GLN HA H 1.229 3.773 3.669 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HA . . . . . . . . . c34337_6q8l 1 . 9 . 1817 . 1 1 8 GLN HB2 H -1.015 1.699 3.652 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB2 . . . . . . . . . c34337_6q8l 1 . 9 . 1818 . 1 1 8 GLN HB3 H 0.294 1.300 4.706 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB3 . . . . . . . . . c34337_6q8l 1 . 9 . 1819 . 1 1 8 GLN HE21 H 0.230 3.549 7.563 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE21 . . . . . . . . . c34337_6q8l 1 . 9 . 1820 . 1 1 8 GLN HE22 H -0.741 2.299 8.506 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE22 . . . . . . . . . c34337_6q8l 1 . 9 . 1821 . 1 1 8 GLN HG2 H -0.007 3.958 5.462 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG2 . . . . . . . . . c34337_6q8l 1 . 9 . 1822 . 1 1 8 GLN HG3 H -1.622 3.664 4.860 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG3 . . . . . . . . . c34337_6q8l 1 . 9 . 1823 . 1 1 8 GLN N N 0.160 3.149 1.960 . . . 1.0 . . . . . . . . . . . . A . 7 GLN N . . . . . . . . . c34337_6q8l 1 . 9 . 1824 . 1 1 8 GLN NE2 N -0.495 2.833 7.669 . . . 1.0 . . . . . . . . . . . . A . 7 GLN NE2 . . . . . . . . . c34337_6q8l 1 . 9 . 1825 . 1 1 8 GLN O O 3.053 2.071 3.950 . . . 1.0 . . . . . . . . . . . . A . 7 GLN O . . . . . . . . . c34337_6q8l 1 . 9 . 1826 . 1 1 8 GLN OE1 O -1.962 1.570 6.634 . . . 1.0 . . . . . . . . . . . . A . 7 GLN OE1 . . . . . . . . . c34337_6q8l 1 . 9 . 1827 . 1 1 9 ARG C C 3.426 -0.351 0.438 . . . 1.0 . . . . . . . . . . . . A . 8 ARG C . . . . . . . . . c34337_6q8l 1 . 9 . 1828 . 1 1 9 ARG CA C 3.365 0.123 1.932 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CA . . . . . . . . . c34337_6q8l 1 . 9 . 1829 . 1 1 9 ARG CB C 3.247 -1.021 2.983 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CB . . . . . . . . . c34337_6q8l 1 . 9 . 1830 . 1 1 9 ARG CD C 2.260 -3.350 2.666 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CD . . . . . . . . . c34337_6q8l 1 . 9 . 1831 . 1 1 9 ARG CG C 1.947 -1.879 2.947 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CG . . . . . . . . . c34337_6q8l 1 . 9 . 1832 . 1 1 9 ARG CZ C 0.978 -5.487 2.683 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CZ . . . . . . . . . c34337_6q8l 1 . 9 . 1833 . 1 1 9 ARG H H 1.472 1.144 1.426 . . . 1.0 . . . . . . . . . . . . A . 8 ARG H . . . . . . . . . c34337_6q8l 1 . 9 . 1834 . 1 1 9 ARG HA H 4.321 0.638 2.148 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HA . . . . . . . . . c34337_6q8l 1 . 9 . 1835 . 1 1 9 ARG HB2 H 4.151 -1.653 2.889 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB2 . . . . . . . . . c34337_6q8l 1 . 9 . 1836 . 1 1 9 ARG HB3 H 3.351 -0.582 3.994 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB3 . . . . . . . . . c34337_6q8l 1 . 9 . 1837 . 1 1 9 ARG HD2 H 2.788 -3.435 1.693 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD2 . . . . . . . . . c34337_6q8l 1 . 9 . 1838 . 1 1 9 ARG HD3 H 2.961 -3.713 3.445 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD3 . . . . . . . . . c34337_6q8l 1 . 9 . 1839 . 1 1 9 ARG HE H 0.103 -3.728 2.430 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HE . . . . . . . . . c34337_6q8l 1 . 9 . 1840 . 1 1 9 ARG HG2 H 1.392 -1.763 3.899 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG2 . . . . . . . . . c34337_6q8l 1 . 9 . 1841 . 1 1 9 ARG HG3 H 1.251 -1.500 2.167 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG3 . . . . . . . . . c34337_6q8l 1 . 9 . 1842 . 1 1 9 ARG HH11 H -0.193 -7.088 2.703 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH11 . . . . . . . . . c34337_6q8l 1 . 9 . 1843 . 1 1 9 ARG HH12 H -0.981 -5.452 2.485 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH12 . . . . . . . . . c34337_6q8l 1 . 9 . 1844 . 1 1 9 ARG HH21 H 1.956 -7.250 2.748 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH21 . . . . . . . . . c34337_6q8l 1 . 9 . 1845 . 1 1 9 ARG HH22 H 2.918 -5.692 2.686 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH22 . . . . . . . . . c34337_6q8l 1 . 9 . 1846 . 1 1 9 ARG N N 2.246 1.079 2.096 . . . 1.0 . . . . . . . . . . . . A . 8 ARG N . . . . . . . . . c34337_6q8l 1 . 9 . 1847 . 1 1 9 ARG NE N 1.015 -4.159 2.626 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NE . . . . . . . . . c34337_6q8l 1 . 9 . 1848 . 1 1 9 ARG NH1 N -0.182 -6.068 2.661 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH1 . . . . . . . . . c34337_6q8l 1 . 9 . 1849 . 1 1 9 ARG NH2 N 2.054 -6.235 2.751 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH2 . . . . . . . . . c34337_6q8l 1 . 9 . 1850 . 1 1 9 ARG O O 2.970 -1.461 0.148 . . . 1.0 . . . . . . . . . . . . A . 8 ARG O . . . . . . . . . c34337_6q8l 1 . 9 . 1851 . 1 1 10 PRO C C 5.103 -1.272 -2.132 . . . 1.0 . . . . . . . . . . . . A . 9 PRO C . . . . . . . . . c34337_6q8l 1 . 9 . 1852 . 1 1 10 PRO CA C 4.103 -0.094 -1.954 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CA . . . . . . . . . c34337_6q8l 1 . 9 . 1853 . 1 1 10 PRO CB C 4.485 1.211 -2.690 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CB . . . . . . . . . c34337_6q8l 1 . 9 . 1854 . 1 1 10 PRO CD C 4.560 1.751 -0.351 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CD . . . . . . . . . c34337_6q8l 1 . 9 . 1855 . 1 1 10 PRO CG C 5.292 2.012 -1.668 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CG . . . . . . . . . c34337_6q8l 1 . 9 . 1856 . 1 1 10 PRO HA H 3.133 -0.471 -2.321 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HA . . . . . . . . . c34337_6q8l 1 . 9 . 1857 . 1 1 10 PRO HB2 H 5.037 1.051 -3.635 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HB2 . . . . . . . . . c34337_6q8l 1 . 9 . 1858 . 1 1 10 PRO HB3 H 3.572 1.773 -2.965 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HB3 . . . . . . . . . c34337_6q8l 1 . 9 . 1859 . 1 1 10 PRO HD2 H 5.263 1.801 0.502 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HD2 . . . . . . . . . c34337_6q8l 1 . 9 . 1860 . 1 1 10 PRO HD3 H 3.760 2.499 -0.183 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HD3 . . . . . . . . . c34337_6q8l 1 . 9 . 1861 . 1 1 10 PRO HG2 H 6.329 1.623 -1.613 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HG2 . . . . . . . . . c34337_6q8l 1 . 9 . 1862 . 1 1 10 PRO HG3 H 5.359 3.086 -1.916 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HG3 . . . . . . . . . c34337_6q8l 1 . 9 . 1863 . 1 1 10 PRO N N 3.981 0.405 -0.556 . . . 1.0 . . . . . . . . . . . . A . 9 PRO N . . . . . . . . . c34337_6q8l 1 . 9 . 1864 . 1 1 10 PRO O O 5.792 -1.707 -1.200 . . . 1.0 . . . . . . . . . . . . A . 9 PRO O . . . . . . . . . c34337_6q8l 1 . 9 . 1865 . 1 1 11 LYS C C 7.795 -1.996 -3.871 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . c34337_6q8l 1 . 9 . 1866 . 1 1 11 LYS CA C 6.364 -2.658 -3.750 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . c34337_6q8l 1 . 9 . 1867 . 1 1 11 LYS CB C 5.906 -3.470 -5.004 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . c34337_6q8l 1 . 9 . 1868 . 1 1 11 LYS CD C 5.782 -5.889 -5.927 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . c34337_6q8l 1 . 9 . 1869 . 1 1 11 LYS CE C 4.493 -6.501 -6.504 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . c34337_6q8l 1 . 9 . 1870 . 1 1 11 LYS CG C 5.590 -4.956 -4.705 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . c34337_6q8l 1 . 9 . 1871 . 1 1 11 LYS H H 4.698 -1.229 -4.079 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . c34337_6q8l 1 . 9 . 1872 . 1 1 11 LYS HA H 6.495 -3.375 -2.914 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . c34337_6q8l 1 . 9 . 1873 . 1 1 11 LYS HB2 H 5.035 -3.013 -5.515 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . c34337_6q8l 1 . 9 . 1874 . 1 1 11 LYS HB3 H 6.694 -3.407 -5.778 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . c34337_6q8l 1 . 9 . 1875 . 1 1 11 LYS HD2 H 6.304 -5.348 -6.743 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . c34337_6q8l 1 . 9 . 1876 . 1 1 11 LYS HD3 H 6.510 -6.684 -5.668 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . c34337_6q8l 1 . 9 . 1877 . 1 1 11 LYS HE2 H 3.729 -5.707 -6.663 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . c34337_6q8l 1 . 9 . 1878 . 1 1 11 LYS HE3 H 4.703 -6.900 -7.522 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . c34337_6q8l 1 . 9 . 1879 . 1 1 11 LYS HG2 H 6.250 -5.328 -3.896 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . c34337_6q8l 1 . 9 . 1880 . 1 1 11 LYS HG3 H 4.572 -5.027 -4.271 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . c34337_6q8l 1 . 9 . 1881 . 1 1 11 LYS HZ1 H 4.683 -8.334 -5.486 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . c34337_6q8l 1 . 9 . 1882 . 1 1 11 LYS HZ2 H 3.796 -7.236 -4.661 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . c34337_6q8l 1 . 9 . 1883 . 1 1 11 LYS HZ3 H 3.128 -8.030 -5.940 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . c34337_6q8l 1 . 9 . 1884 . 1 1 11 LYS N N 5.246 -1.741 -3.380 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . c34337_6q8l 1 . 9 . 1885 . 1 1 11 LYS NZ N 3.993 -7.581 -5.610 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . c34337_6q8l 1 . 9 . 1886 . 1 1 11 LYS O O 8.622 -2.404 -4.690 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . c34337_6q8l 1 . 9 . 1887 . 1 1 12 GLY C C 9.950 -0.472 -1.254 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . c34337_6q8l 1 . 9 . 1888 . 1 1 12 GLY CA C 9.486 -0.534 -2.735 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . c34337_6q8l 1 . 9 . 1889 . 1 1 12 GLY H H 7.331 -0.865 -2.328 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . c34337_6q8l 1 . 9 . 1890 . 1 1 12 GLY HA2 H 10.243 -1.110 -3.301 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . c34337_6q8l 1 . 9 . 1891 . 1 1 12 GLY HA3 H 9.550 0.492 -3.144 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . c34337_6q8l 1 . 9 . 1892 . 1 1 12 GLY N N 8.106 -1.037 -2.984 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . c34337_6q8l 1 . 9 . 1893 . 1 1 12 GLY O O 10.890 0.265 -0.955 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . c34337_6q8l 1 . 9 . 1894 . 1 1 13 TYR C C 9.881 -2.751 1.549 . . . 1.0 . . . . . . . . . . . . A . 12 TYR C . . . . . . . . . c34337_6q8l 1 . 9 . 1895 . 1 1 13 TYR CA C 9.657 -1.270 1.107 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CA . . . . . . . . . c34337_6q8l 1 . 9 . 1896 . 1 1 13 TYR CB C 8.559 -0.498 1.917 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CB . . . . . . . . . c34337_6q8l 1 . 9 . 1897 . 1 1 13 TYR CD1 C 9.215 1.068 3.808 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD1 . . . . . . . . . c34337_6q8l 1 . 9 . 1898 . 1 1 13 TYR CD2 C 9.121 1.964 1.566 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD2 . . . . . . . . . c34337_6q8l 1 . 9 . 1899 . 1 1 13 TYR CE1 C 9.574 2.327 4.296 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE1 . . . . . . . . . c34337_6q8l 1 . 9 . 1900 . 1 1 13 TYR CE2 C 9.490 3.219 2.056 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE2 . . . . . . . . . c34337_6q8l 1 . 9 . 1901 . 1 1 13 TYR CG C 8.983 0.883 2.441 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CG . . . . . . . . . c34337_6q8l 1 . 9 . 1902 . 1 1 13 TYR CZ C 9.706 3.397 3.418 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CZ . . . . . . . . . c34337_6q8l 1 . 9 . 1903 . 1 1 13 TYR H H 8.541 -1.772 -0.738 . . . 1.0 . . . . . . . . . . . . A . 12 TYR H . . . . . . . . . c34337_6q8l 1 . 9 . 1904 . 1 1 13 TYR HA H 10.639 -0.782 1.282 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HA . . . . . . . . . c34337_6q8l 1 . 9 . 1905 . 1 1 13 TYR HB2 H 7.624 -0.386 1.332 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB2 . . . . . . . . . c34337_6q8l 1 . 9 . 1906 . 1 1 13 TYR HB3 H 8.225 -1.110 2.777 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB3 . . . . . . . . . c34337_6q8l 1 . 9 . 1907 . 1 1 13 TYR HD1 H 9.115 0.246 4.501 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD1 . . . . . . . . . c34337_6q8l 1 . 9 . 1908 . 1 1 13 TYR HD2 H 8.954 1.838 0.507 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD2 . . . . . . . . . c34337_6q8l 1 . 9 . 1909 . 1 1 13 TYR HE1 H 9.747 2.457 5.353 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE1 . . . . . . . . . c34337_6q8l 1 . 9 . 1910 . 1 1 13 TYR HE2 H 9.606 4.053 1.379 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE2 . . . . . . . . . c34337_6q8l 1 . 9 . 1911 . 1 1 13 TYR HH H 9.927 4.641 4.849 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HH . . . . . . . . . c34337_6q8l 1 . 9 . 1912 . 1 1 13 TYR N N 9.319 -1.234 -0.343 . . . 1.0 . . . . . . . . . . . . A . 12 TYR N . . . . . . . . . c34337_6q8l 1 . 9 . 1913 . 1 1 13 TYR O O 11.007 -3.199 1.739 . . . 1.0 . . . . . . . . . . . . A . 12 TYR O . . . . . . . . . c34337_6q8l 1 . 9 . 1914 . 1 1 13 TYR OH O 10.025 4.642 3.895 . . . 1.0 . . . . . . . . . . . . A . 12 TYR OH . . . . . . . . . c34337_6q8l 1 . 9 . 1915 . 1 1 14 NH2 HN1 H 9.140 -4.515 2.041 . . . 1.0 . . . . . . . . . . . . A . 13 NH2 HN1 . . . . . . . . . c34337_6q8l 1 . 9 . 1916 . 1 1 14 NH2 HN2 H 7.923 -3.199 1.605 . . . 1.0 . . . . . . . . . . . . A . 13 NH2 HN2 . . . . . . . . . c34337_6q8l 1 . 9 . 1917 . 1 1 14 NH2 N N 8.864 -3.581 1.728 . . . 1.0 . . . . . . . . . . . . A . 13 NH2 N . . . . . . . . . c34337_6q8l 1 . 10 . 1918 . 1 1 1 ACE C C -10.386 -3.633 -0.142 . . . 1.0 . . . . . . . . . . . . A . 0 ACE C . . . . . . . . . c34337_6q8l 1 . 10 . 1919 . 1 1 1 ACE CH3 C -11.447 -4.525 -0.757 . . . 1.0 . . . . . . . . . . . . A . 0 ACE CH3 . . . . . . . . . c34337_6q8l 1 . 10 . 1920 . 1 1 1 ACE H1 H -11.183 -4.912 -1.760 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H1 . . . . . . . . . c34337_6q8l 1 . 10 . 1921 . 1 1 1 ACE H2 H -11.639 -5.391 -0.100 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H2 . . . . . . . . . c34337_6q8l 1 . 10 . 1922 . 1 1 1 ACE H3 H -12.393 -3.966 -0.856 . . . 1.0 . . . . . . . . . . . . A . 0 ACE H3 . . . . . . . . . c34337_6q8l 1 . 10 . 1923 . 1 1 1 ACE O O -10.641 -2.968 0.859 . . . 1.0 . . . . . . . . . . . . A . 0 ACE O . . . . . . . . . c34337_6q8l 1 . 10 . 1924 . 1 1 2 ARG C C -7.357 -2.155 -1.556 . . . 1.0 . . . . . . . . . . . . A . 1 ARG C . . . . . . . . . c34337_6q8l 1 . 10 . 1925 . 1 1 2 ARG CA C -8.058 -2.793 -0.308 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CA . . . . . . . . . c34337_6q8l 1 . 10 . 1926 . 1 1 2 ARG CB C -7.136 -3.625 0.641 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CB . . . . . . . . . c34337_6q8l 1 . 10 . 1927 . 1 1 2 ARG CD C -6.589 -2.799 3.056 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CD . . . . . . . . . c34337_6q8l 1 . 10 . 1928 . 1 1 2 ARG CG C -7.563 -3.568 2.138 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CG . . . . . . . . . c34337_6q8l 1 . 10 . 1929 . 1 1 2 ARG CZ C -4.785 -3.425 4.677 . . . 1.0 . . . . . . . . . . . . A . 1 ARG CZ . . . . . . . . . c34337_6q8l 1 . 10 . 1930 . 1 1 2 ARG H H -9.178 -4.185 -1.616 . . . 1.0 . . . . . . . . . . . . A . 1 ARG H . . . . . . . . . c34337_6q8l 1 . 10 . 1931 . 1 1 2 ARG HA H -8.415 -1.931 0.289 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HA . . . . . . . . . c34337_6q8l 1 . 10 . 1932 . 1 1 2 ARG HB2 H -7.091 -4.679 0.303 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB2 . . . . . . . . . c34337_6q8l 1 . 10 . 1933 . 1 1 2 ARG HB3 H -6.084 -3.294 0.534 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HB3 . . . . . . . . . c34337_6q8l 1 . 10 . 1934 . 1 1 2 ARG HD2 H -5.985 -2.075 2.470 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD2 . . . . . . . . . c34337_6q8l 1 . 10 . 1935 . 1 1 2 ARG HD3 H -7.175 -2.183 3.772 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HD3 . . . . . . . . . c34337_6q8l 1 . 10 . 1936 . 1 1 2 ARG HE H -5.881 -4.764 3.698 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HE . . . . . . . . . c34337_6q8l 1 . 10 . 1937 . 1 1 2 ARG HG2 H -8.556 -3.085 2.231 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG2 . . . . . . . . . c34337_6q8l 1 . 10 . 1938 . 1 1 2 ARG HG3 H -7.777 -4.589 2.509 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HG3 . . . . . . . . . c34337_6q8l 1 . 10 . 1939 . 1 1 2 ARG HH11 H -3.486 -4.109 6.016 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH11 . . . . . . . . . c34337_6q8l 1 . 10 . 1940 . 1 1 2 ARG HH12 H -4.509 -5.334 5.136 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH12 . . . . . . . . . c34337_6q8l 1 . 10 . 1941 . 1 1 2 ARG HH21 H -3.695 -2.014 5.612 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH21 . . . . . . . . . c34337_6q8l 1 . 10 . 1942 . 1 1 2 ARG HH22 H -4.934 -1.495 4.369 . . . 1.0 . . . . . . . . . . . . A . 1 ARG HH22 . . . . . . . . . c34337_6q8l 1 . 10 . 1943 . 1 1 2 ARG N N -9.204 -3.634 -0.754 . . . 1.0 . . . . . . . . . . . . A . 1 ARG N . . . . . . . . . c34337_6q8l 1 . 10 . 1944 . 1 1 2 ARG NE N -5.726 -3.758 3.796 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NE . . . . . . . . . c34337_6q8l 1 . 10 . 1945 . 1 1 2 ARG NH1 N -4.189 -4.382 5.326 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH1 . . . . . . . . . c34337_6q8l 1 . 10 . 1946 . 1 1 2 ARG NH2 N -4.429 -2.189 4.925 . . . 1.0 . . . . . . . . . . . . A . 1 ARG NH2 . . . . . . . . . c34337_6q8l 1 . 10 . 1947 . 1 1 2 ARG O O -6.302 -2.653 -1.965 . . . 1.0 . . . . . . . . . . . . A . 1 ARG O . . . . . . . . . c34337_6q8l 1 . 10 . 1948 . 1 1 3 PRO C C -5.841 0.492 -2.731 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . c34337_6q8l 1 . 10 . 1949 . 1 1 3 PRO CA C -7.104 -0.297 -3.230 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . c34337_6q8l 1 . 10 . 1950 . 1 1 3 PRO CB C -8.216 0.597 -3.813 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . c34337_6q8l 1 . 10 . 1951 . 1 1 3 PRO CD C -9.121 -0.364 -1.785 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . c34337_6q8l 1 . 10 . 1952 . 1 1 3 PRO CG C -9.129 0.916 -2.627 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . c34337_6q8l 1 . 10 . 1953 . 1 1 3 PRO HA H -6.762 -0.999 -4.015 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . c34337_6q8l 1 . 10 . 1954 . 1 1 3 PRO HB2 H -7.831 1.507 -4.313 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . c34337_6q8l 1 . 10 . 1955 . 1 1 3 PRO HB3 H -8.787 0.039 -4.581 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . c34337_6q8l 1 . 10 . 1956 . 1 1 3 PRO HD2 H -9.163 -0.117 -0.706 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . c34337_6q8l 1 . 10 . 1957 . 1 1 3 PRO HD3 H -9.996 -1.002 -2.016 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . c34337_6q8l 1 . 10 . 1958 . 1 1 3 PRO HG2 H -8.704 1.762 -2.057 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . c34337_6q8l 1 . 10 . 1959 . 1 1 3 PRO HG3 H -10.147 1.224 -2.928 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . c34337_6q8l 1 . 10 . 1960 . 1 1 3 PRO N N -7.861 -1.040 -2.176 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . c34337_6q8l 1 . 10 . 1961 . 1 1 3 PRO O O -4.855 0.619 -3.462 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . c34337_6q8l 1 . 10 . 1962 . 1 1 4 LEU C C -3.631 0.553 -0.219 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c34337_6q8l 1 . 10 . 1963 . 1 1 4 LEU CA C -4.683 1.581 -0.787 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c34337_6q8l 1 . 10 . 1964 . 1 1 4 LEU CB C -5.247 2.537 0.312 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c34337_6q8l 1 . 10 . 1965 . 1 1 4 LEU CD1 C -7.683 3.338 0.216 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c34337_6q8l 1 . 10 . 1966 . 1 1 4 LEU CD2 C -5.856 5.045 0.400 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c34337_6q8l 1 . 10 . 1967 . 1 1 4 LEU CG C -6.224 3.662 -0.159 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c34337_6q8l 1 . 10 . 1968 . 1 1 4 LEU H H -6.718 0.723 -0.976 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c34337_6q8l 1 . 10 . 1969 . 1 1 4 LEU HA H -4.131 2.212 -1.514 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c34337_6q8l 1 . 10 . 1970 . 1 1 4 LEU HB2 H -5.711 1.935 1.119 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c34337_6q8l 1 . 10 . 1971 . 1 1 4 LEU HB3 H -4.378 2.998 0.822 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c34337_6q8l 1 . 10 . 1972 . 1 1 4 LEU HD11 H -8.397 4.014 -0.291 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c34337_6q8l 1 . 10 . 1973 . 1 1 4 LEU HD12 H -7.965 2.307 -0.059 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c34337_6q8l 1 . 10 . 1974 . 1 1 4 LEU HD13 H -7.865 3.424 1.303 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c34337_6q8l 1 . 10 . 1975 . 1 1 4 LEU HD21 H -4.781 5.259 0.282 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c34337_6q8l 1 . 10 . 1976 . 1 1 4 LEU HD22 H -6.397 5.849 -0.132 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c34337_6q8l 1 . 10 . 1977 . 1 1 4 LEU HD23 H -6.095 5.143 1.476 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c34337_6q8l 1 . 10 . 1978 . 1 1 4 LEU HG H -6.163 3.739 -1.264 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c34337_6q8l 1 . 10 . 1979 . 1 1 4 LEU N N -5.852 0.959 -1.469 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c34337_6q8l 1 . 10 . 1980 . 1 1 4 LEU O O -3.052 0.754 0.854 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c34337_6q8l 1 . 10 . 1981 . 1 1 5 ASP C C -0.756 -0.834 -1.266 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c34337_6q8l 1 . 10 . 1982 . 1 1 5 ASP CA C -2.138 -1.394 -0.743 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c34337_6q8l 1 . 10 . 1983 . 1 1 5 ASP CB C -2.518 -2.784 -1.334 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c34337_6q8l 1 . 10 . 1984 . 1 1 5 ASP CG C -1.903 -4.022 -0.662 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c34337_6q8l 1 . 10 . 1985 . 1 1 5 ASP H H -3.837 -0.535 -1.876 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . c34337_6q8l 1 . 10 . 1986 . 1 1 5 ASP HA H -2.027 -1.518 0.351 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c34337_6q8l 1 . 10 . 1987 . 1 1 5 ASP HB2 H -3.611 -2.957 -1.280 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c34337_6q8l 1 . 10 . 1988 . 1 1 5 ASP HB3 H -2.300 -2.813 -2.419 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c34337_6q8l 1 . 10 . 1989 . 1 1 5 ASP N N -3.314 -0.504 -0.989 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c34337_6q8l 1 . 10 . 1990 . 1 1 5 ASP O O 0.305 -1.339 -0.902 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c34337_6q8l 1 . 10 . 1991 . 1 1 5 ASP OD1 O -2.200 -5.134 -1.145 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c34337_6q8l 1 . 10 . 1992 . 1 1 5 ASP OD2 O -1.181 -3.920 0.363 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c34337_6q8l 1 . 10 . 1993 . 1 1 6 THR C C 0.619 2.450 -1.998 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . c34337_6q8l 1 . 10 . 1994 . 1 1 6 THR CA C 0.426 0.990 -2.564 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . c34337_6q8l 1 . 10 . 1995 . 1 1 6 THR CB C 0.417 0.883 -4.121 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . c34337_6q8l 1 . 10 . 1996 . 1 1 6 THR CG2 C -0.799 1.518 -4.839 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . c34337_6q8l 1 . 10 . 1997 . 1 1 6 THR H H -1.729 0.526 -2.319 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . c34337_6q8l 1 . 10 . 1998 . 1 1 6 THR HA H 1.327 0.471 -2.215 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . c34337_6q8l 1 . 10 . 1999 . 1 1 6 THR HB H 0.431 -0.197 -4.376 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . c34337_6q8l 1 . 10 . 2000 . 1 1 6 THR HG1 H 1.700 1.087 -5.551 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . c34337_6q8l 1 . 10 . 2001 . 1 1 6 THR HG21 H -0.519 2.142 -5.707 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . c34337_6q8l 1 . 10 . 2002 . 1 1 6 THR HG22 H -1.494 0.739 -5.203 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . c34337_6q8l 1 . 10 . 2003 . 1 1 6 THR HG23 H -1.394 2.165 -4.166 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . c34337_6q8l 1 . 10 . 2004 . 1 1 6 THR N N -0.774 0.233 -2.086 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . c34337_6q8l 1 . 10 . 2005 . 1 1 6 THR O O 1.542 3.164 -2.397 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . c34337_6q8l 1 . 10 . 2006 . 1 1 6 THR OG1 O 1.613 1.436 -4.661 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . c34337_6q8l 1 . 10 . 2007 . 1 1 7 VAL C C 0.694 4.034 1.029 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c34337_6q8l 1 . 10 . 2008 . 1 1 7 VAL CA C -0.080 4.192 -0.320 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c34337_6q8l 1 . 10 . 2009 . 1 1 7 VAL CB C -1.514 4.847 -0.235 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c34337_6q8l 1 . 10 . 2010 . 1 1 7 VAL CG1 C -1.789 5.749 0.993 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c34337_6q8l 1 . 10 . 2011 . 1 1 7 VAL CG2 C -1.837 5.644 -1.522 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c34337_6q8l 1 . 10 . 2012 . 1 1 7 VAL H H -0.851 2.140 -0.728 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c34337_6q8l 1 . 10 . 2013 . 1 1 7 VAL HA H 0.567 4.873 -0.908 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c34337_6q8l 1 . 10 . 2014 . 1 1 7 VAL HB H -2.273 4.041 -0.157 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c34337_6q8l 1 . 10 . 2015 . 1 1 7 VAL HG11 H -1.058 6.573 1.084 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c34337_6q8l 1 . 10 . 2016 . 1 1 7 VAL HG12 H -2.798 6.198 0.970 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c34337_6q8l 1 . 10 . 2017 . 1 1 7 VAL HG13 H -1.745 5.170 1.934 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c34337_6q8l 1 . 10 . 2018 . 1 1 7 VAL HG21 H -2.125 4.969 -2.349 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c34337_6q8l 1 . 10 . 2019 . 1 1 7 VAL HG22 H -2.669 6.361 -1.392 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c34337_6q8l 1 . 10 . 2020 . 1 1 7 VAL HG23 H -0.970 6.234 -1.880 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c34337_6q8l 1 . 10 . 2021 . 1 1 7 VAL N N -0.207 2.878 -1.030 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c34337_6q8l 1 . 10 . 2022 . 1 1 7 VAL O O 1.708 4.699 1.251 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c34337_6q8l 1 . 10 . 2023 . 1 1 8 GLN C C 2.170 1.978 3.112 . . . 1.0 . . . . . . . . . . . . A . 7 GLN C . . . . . . . . . c34337_6q8l 1 . 10 . 2024 . 1 1 8 GLN CA C 0.877 2.848 3.212 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CA . . . . . . . . . c34337_6q8l 1 . 10 . 2025 . 1 1 8 GLN CB C -0.209 2.217 4.144 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CB . . . . . . . . . c34337_6q8l 1 . 10 . 2026 . 1 1 8 GLN CD C 0.334 3.274 6.428 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CD . . . . . . . . . c34337_6q8l 1 . 10 . 2027 . 1 1 8 GLN CG C -0.677 3.160 5.278 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CG . . . . . . . . . c34337_6q8l 1 . 10 . 2028 . 1 1 8 GLN H H -0.587 2.616 1.573 . . . 1.0 . . . . . . . . . . . . A . 7 GLN H . . . . . . . . . c34337_6q8l 1 . 10 . 2029 . 1 1 8 GLN HA H 1.229 3.799 3.660 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HA . . . . . . . . . c34337_6q8l 1 . 10 . 2030 . 1 1 8 GLN HB2 H -1.103 1.882 3.578 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB2 . . . . . . . . . c34337_6q8l 1 . 10 . 2031 . 1 1 8 GLN HB3 H 0.153 1.269 4.592 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB3 . . . . . . . . . c34337_6q8l 1 . 10 . 2032 . 1 1 8 GLN HE21 H 0.504 5.253 6.176 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE21 . . . . . . . . . c34337_6q8l 1 . 10 . 2033 . 1 1 8 GLN HE22 H 1.531 4.426 7.465 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE22 . . . . . . . . . c34337_6q8l 1 . 10 . 2034 . 1 1 8 GLN HG2 H -0.936 4.152 4.857 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG2 . . . . . . . . . c34337_6q8l 1 . 10 . 2035 . 1 1 8 GLN HG3 H -1.621 2.781 5.707 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG3 . . . . . . . . . c34337_6q8l 1 . 10 . 2036 . 1 1 8 GLN N N 0.198 3.170 1.928 . . . 1.0 . . . . . . . . . . . . A . 7 GLN N . . . . . . . . . c34337_6q8l 1 . 10 . 2037 . 1 1 8 GLN NE2 N 0.815 4.454 6.734 . . . 1.0 . . . . . . . . . . . . A . 7 GLN NE2 . . . . . . . . . c34337_6q8l 1 . 10 . 2038 . 1 1 8 GLN O O 3.054 2.089 3.965 . . . 1.0 . . . . . . . . . . . . A . 7 GLN O . . . . . . . . . c34337_6q8l 1 . 10 . 2039 . 1 1 8 GLN OE1 O 0.708 2.294 7.061 . . . 1.0 . . . . . . . . . . . . A . 7 GLN OE1 . . . . . . . . . c34337_6q8l 1 . 10 . 2040 . 1 1 9 ARG C C 3.437 -0.335 0.445 . . . 1.0 . . . . . . . . . . . . A . 8 ARG C . . . . . . . . . c34337_6q8l 1 . 10 . 2041 . 1 1 9 ARG CA C 3.380 0.144 1.939 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CA . . . . . . . . . c34337_6q8l 1 . 10 . 2042 . 1 1 9 ARG CB C 3.262 -0.998 2.992 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CB . . . . . . . . . c34337_6q8l 1 . 10 . 2043 . 1 1 9 ARG CD C 2.274 -3.326 2.674 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CD . . . . . . . . . c34337_6q8l 1 . 10 . 2044 . 1 1 9 ARG CG C 1.960 -1.855 2.955 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CG . . . . . . . . . c34337_6q8l 1 . 10 . 2045 . 1 1 9 ARG CZ C 0.989 -5.458 2.798 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CZ . . . . . . . . . c34337_6q8l 1 . 10 . 2046 . 1 1 9 ARG H H 1.492 1.164 1.429 . . . 1.0 . . . . . . . . . . . . A . 8 ARG H . . . . . . . . . c34337_6q8l 1 . 10 . 2047 . 1 1 9 ARG HA H 4.337 0.661 2.154 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HA . . . . . . . . . c34337_6q8l 1 . 10 . 2048 . 1 1 9 ARG HB2 H 4.166 -1.630 2.901 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB2 . . . . . . . . . c34337_6q8l 1 . 10 . 2049 . 1 1 9 ARG HB3 H 3.365 -0.557 4.003 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB3 . . . . . . . . . c34337_6q8l 1 . 10 . 2050 . 1 1 9 ARG HD2 H 2.797 -3.415 1.698 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD2 . . . . . . . . . c34337_6q8l 1 . 10 . 2051 . 1 1 9 ARG HD3 H 2.984 -3.681 3.449 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD3 . . . . . . . . . c34337_6q8l 1 . 10 . 2052 . 1 1 9 ARG HE H 0.140 -3.732 2.320 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HE . . . . . . . . . c34337_6q8l 1 . 10 . 2053 . 1 1 9 ARG HG2 H 1.407 -1.739 3.907 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG2 . . . . . . . . . c34337_6q8l 1 . 10 . 2054 . 1 1 9 ARG HG3 H 1.265 -1.477 2.175 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG3 . . . . . . . . . c34337_6q8l 1 . 10 . 2055 . 1 1 9 ARG HH11 H -0.181 -7.056 2.875 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH11 . . . . . . . . . c34337_6q8l 1 . 10 . 2056 . 1 1 9 ARG HH12 H -0.958 -5.439 2.507 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH12 . . . . . . . . . c34337_6q8l 1 . 10 . 2057 . 1 1 9 ARG HH21 H 1.961 -7.209 3.048 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH21 . . . . . . . . . c34337_6q8l 1 . 10 . 2058 . 1 1 9 ARG HH22 H 2.926 -5.659 2.914 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH22 . . . . . . . . . c34337_6q8l 1 . 10 . 2059 . 1 1 9 ARG N N 2.260 1.096 2.104 . . . 1.0 . . . . . . . . . . . . A . 8 ARG N . . . . . . . . . c34337_6q8l 1 . 10 . 2060 . 1 1 9 ARG NE N 1.032 -4.138 2.639 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NE . . . . . . . . . c34337_6q8l 1 . 10 . 2061 . 1 1 9 ARG NH1 N -0.169 -6.041 2.762 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH1 . . . . . . . . . c34337_6q8l 1 . 10 . 2062 . 1 1 9 ARG NH2 N 2.058 -6.196 2.982 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH2 . . . . . . . . . c34337_6q8l 1 . 10 . 2063 . 1 1 9 ARG O O 2.977 -1.444 0.161 . . . 1.0 . . . . . . . . . . . . A . 8 ARG O . . . . . . . . . c34337_6q8l 1 . 10 . 2064 . 1 1 10 PRO C C 5.100 -1.273 -2.124 . . . 1.0 . . . . . . . . . . . . A . 9 PRO C . . . . . . . . . c34337_6q8l 1 . 10 . 2065 . 1 1 10 PRO CA C 4.105 -0.090 -1.950 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CA . . . . . . . . . c34337_6q8l 1 . 10 . 2066 . 1 1 10 PRO CB C 4.491 1.208 -2.694 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CB . . . . . . . . . c34337_6q8l 1 . 10 . 2067 . 1 1 10 PRO CD C 4.575 1.760 -0.358 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CD . . . . . . . . . c34337_6q8l 1 . 10 . 2068 . 1 1 10 PRO CG C 5.304 2.010 -1.677 . . . 1.0 . . . . . . . . . . . . A . 9 PRO CG . . . . . . . . . c34337_6q8l 1 . 10 . 2069 . 1 1 10 PRO HA H 3.132 -0.464 -2.310 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HA . . . . . . . . . c34337_6q8l 1 . 10 . 2070 . 1 1 10 PRO HB2 H 5.041 1.040 -3.640 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HB2 . . . . . . . . . c34337_6q8l 1 . 10 . 2071 . 1 1 10 PRO HB3 H 3.580 1.772 -2.971 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HB3 . . . . . . . . . c34337_6q8l 1 . 10 . 2072 . 1 1 10 PRO HD2 H 5.278 1.811 0.494 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HD2 . . . . . . . . . c34337_6q8l 1 . 10 . 2073 . 1 1 10 PRO HD3 H 3.777 2.512 -0.192 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HD3 . . . . . . . . . c34337_6q8l 1 . 10 . 2074 . 1 1 10 PRO HG2 H 6.339 1.617 -1.624 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HG2 . . . . . . . . . c34337_6q8l 1 . 10 . 2075 . 1 1 10 PRO HG3 H 5.375 3.083 -1.933 . . . 1.0 . . . . . . . . . . . . A . 9 PRO HG3 . . . . . . . . . c34337_6q8l 1 . 10 . 2076 . 1 1 10 PRO N N 3.989 0.416 -0.554 . . . 1.0 . . . . . . . . . . . . A . 9 PRO N . . . . . . . . . c34337_6q8l 1 . 10 . 2077 . 1 1 10 PRO O O 5.791 -1.704 -1.192 . . . 1.0 . . . . . . . . . . . . A . 9 PRO O . . . . . . . . . c34337_6q8l 1 . 10 . 2078 . 1 1 11 LYS C C 7.778 -2.033 -3.870 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . c34337_6q8l 1 . 10 . 2079 . 1 1 11 LYS CA C 6.342 -2.682 -3.736 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . c34337_6q8l 1 . 10 . 2080 . 1 1 11 LYS CB C 5.865 -3.508 -4.974 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . c34337_6q8l 1 . 10 . 2081 . 1 1 11 LYS CD C 5.910 -5.936 -5.867 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . c34337_6q8l 1 . 10 . 2082 . 1 1 11 LYS CE C 4.754 -6.063 -6.884 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . c34337_6q8l 1 . 10 . 2083 . 1 1 11 LYS CG C 5.621 -5.009 -4.668 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . c34337_6q8l 1 . 10 . 2084 . 1 1 11 LYS H H 4.693 -1.237 -4.072 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . c34337_6q8l 1 . 10 . 2085 . 1 1 11 LYS HA H 6.470 -3.388 -2.888 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . c34337_6q8l 1 . 10 . 2086 . 1 1 11 LYS HB2 H 4.954 -3.087 -5.447 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . c34337_6q8l 1 . 10 . 2087 . 1 1 11 LYS HB3 H 6.615 -3.406 -5.781 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . c34337_6q8l 1 . 10 . 2088 . 1 1 11 LYS HD2 H 6.824 -5.581 -6.386 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . c34337_6q8l 1 . 10 . 2089 . 1 1 11 LYS HD3 H 6.235 -6.918 -5.467 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . c34337_6q8l 1 . 10 . 2090 . 1 1 11 LYS HE2 H 3.937 -5.339 -6.662 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . c34337_6q8l 1 . 10 . 2091 . 1 1 11 LYS HE3 H 5.111 -5.763 -7.895 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . c34337_6q8l 1 . 10 . 2092 . 1 1 11 LYS HG2 H 6.279 -5.337 -3.839 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . c34337_6q8l 1 . 10 . 2093 . 1 1 11 LYS HG3 H 4.597 -5.158 -4.268 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . c34337_6q8l 1 . 10 . 2094 . 1 1 11 LYS HZ1 H 4.974 -8.136 -7.155 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . c34337_6q8l 1 . 10 . 2095 . 1 1 11 LYS HZ2 H 3.915 -7.758 -5.966 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . c34337_6q8l 1 . 10 . 2096 . 1 1 11 LYS HZ3 H 3.460 -7.618 -7.544 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . c34337_6q8l 1 . 10 . 2097 . 1 1 11 LYS N N 5.236 -1.750 -3.370 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . c34337_6q8l 1 . 10 . 2098 . 1 1 11 LYS NZ N 4.242 -7.461 -6.895 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . c34337_6q8l 1 . 10 . 2099 . 1 1 11 LYS O O 8.595 -2.448 -4.695 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . c34337_6q8l 1 . 10 . 2100 . 1 1 12 GLY C C 9.948 -0.487 -1.267 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . c34337_6q8l 1 . 10 . 2101 . 1 1 12 GLY CA C 9.482 -0.568 -2.749 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . c34337_6q8l 1 . 10 . 2102 . 1 1 12 GLY H H 7.328 -0.892 -2.328 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . c34337_6q8l 1 . 10 . 2103 . 1 1 12 GLY HA2 H 10.236 -1.153 -3.309 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . c34337_6q8l 1 . 10 . 2104 . 1 1 12 GLY HA3 H 9.548 0.452 -3.169 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . c34337_6q8l 1 . 10 . 2105 . 1 1 12 GLY N N 8.100 -1.071 -2.987 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . c34337_6q8l 1 . 10 . 2106 . 1 1 12 GLY O O 10.887 0.255 -0.978 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . c34337_6q8l 1 . 10 . 2107 . 1 1 13 TYR C C 9.887 -2.745 1.551 . . . 1.0 . . . . . . . . . . . . A . 12 TYR C . . . . . . . . . c34337_6q8l 1 . 10 . 2108 . 1 1 13 TYR CA C 9.662 -1.267 1.101 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CA . . . . . . . . . c34337_6q8l 1 . 10 . 2109 . 1 1 13 TYR CB C 8.567 -0.493 1.912 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CB . . . . . . . . . c34337_6q8l 1 . 10 . 2110 . 1 1 13 TYR CD1 C 9.013 1.995 1.573 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD1 . . . . . . . . . c34337_6q8l 1 . 10 . 2111 . 1 1 13 TYR CD2 C 9.365 1.046 3.766 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CD2 . . . . . . . . . c34337_6q8l 1 . 10 . 2112 . 1 1 13 TYR CE1 C 9.394 3.247 2.060 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE1 . . . . . . . . . c34337_6q8l 1 . 10 . 2113 . 1 1 13 TYR CE2 C 9.739 2.300 4.252 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CE2 . . . . . . . . . c34337_6q8l 1 . 10 . 2114 . 1 1 13 TYR CG C 8.998 0.888 2.428 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CG . . . . . . . . . c34337_6q8l 1 . 10 . 2115 . 1 1 13 TYR CZ C 9.749 3.397 3.393 . . . 1.0 . . . . . . . . . . . . A . 12 TYR CZ . . . . . . . . . c34337_6q8l 1 . 10 . 2116 . 1 1 13 TYR H H 8.541 -1.783 -0.737 . . . 1.0 . . . . . . . . . . . . A . 12 TYR H . . . . . . . . . c34337_6q8l 1 . 10 . 2117 . 1 1 13 TYR HA H 10.645 -0.777 1.268 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HA . . . . . . . . . c34337_6q8l 1 . 10 . 2118 . 1 1 13 TYR HB2 H 7.628 -0.386 1.331 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB2 . . . . . . . . . c34337_6q8l 1 . 10 . 2119 . 1 1 13 TYR HB3 H 8.238 -1.098 2.779 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HB3 . . . . . . . . . c34337_6q8l 1 . 10 . 2120 . 1 1 13 TYR HD1 H 8.744 1.888 0.533 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD1 . . . . . . . . . c34337_6q8l 1 . 10 . 2121 . 1 1 13 TYR HD2 H 9.362 0.202 4.443 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HD2 . . . . . . . . . c34337_6q8l 1 . 10 . 2122 . 1 1 13 TYR HE1 H 9.413 4.102 1.398 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE1 . . . . . . . . . c34337_6q8l 1 . 10 . 2123 . 1 1 13 TYR HE2 H 10.018 2.409 5.288 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HE2 . . . . . . . . . c34337_6q8l 1 . 10 . 2124 . 1 1 13 TYR HH H 10.237 4.572 4.817 . . . 1.0 . . . . . . . . . . . . A . 12 TYR HH . . . . . . . . . c34337_6q8l 1 . 10 . 2125 . 1 1 13 TYR N N 9.317 -1.240 -0.347 . . . 1.0 . . . . . . . . . . . . A . 12 TYR N . . . . . . . . . c34337_6q8l 1 . 10 . 2126 . 1 1 13 TYR O O 11.015 -3.191 1.742 . . . 1.0 . . . . . . . . . . . . A . 12 TYR O . . . . . . . . . c34337_6q8l 1 . 10 . 2127 . 1 1 13 TYR OH O 10.103 4.632 3.870 . . . 1.0 . . . . . . . . . . . . A . 12 TYR OH . . . . . . . . . c34337_6q8l 1 . 10 . 2128 . 1 1 14 NH2 HN1 H 9.147 -4.507 2.054 . . . 1.0 . . . . . . . . . . . . A . 13 NH2 HN1 . . . . . . . . . c34337_6q8l 1 . 10 . 2129 . 1 1 14 NH2 HN2 H 7.930 -3.193 1.614 . . . 1.0 . . . . . . . . . . . . A . 13 NH2 HN2 . . . . . . . . . c34337_6q8l 1 . 10 . 2130 . 1 1 14 NH2 N N 8.872 -3.574 1.737 . . . 1.0 . . . . . . . . . . . . A . 13 NH2 N . . . . . . . . . c34337_6q8l 1 stop_ save_ save_constraint_statistics _Constraint_stat_list.Sf_framecode constraint_statistics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID c34337_6q8l _Constraint_stat_list.ID 1 loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 6q8l.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c34337_6q8l 1 1 6q8l.mr . . DYANA/DIANA 2 distance NOE simple 135 c34337_6q8l 1 1 6q8l.mr . . 'MR format' 3 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c34337_6q8l 1 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID c34337_6q8l _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 2 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c34337_6q8l 1 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 OR . 1 1 2 2 ARG H H . . . 1 1 3 3 PRO HD2 H . . . . . . . 5.34 . . . . . A . 1 ARG H . . A . 2 PRO HD2 . . . 1 ARG+ HN . . . . . 2 PRO QD . . c34337_6q8l 1 1 2 OR . 1 1 2 2 ARG H H . . . 1 1 3 3 PRO HD3 H . . . . . . . 5.34 . . . . . A . 1 ARG H . . A . 2 PRO HD3 . . . 1 ARG+ HN . . . . . 2 PRO QD . . c34337_6q8l 1 2 1 . . 1 1 2 2 ARG HA H . . . 1 1 2 2 ARG HG2 H . . . . . . . 3.61 . . . . . A . 1 ARG HA . . A . 1 ARG HG2 . . . 1 ARG+ HA . . . . . 1 ARG+ HG2 . . c34337_6q8l 1 3 1 . . 1 1 2 2 ARG HA H . . . 1 1 2 2 ARG HG3 H . . . . . . . 3.61 . . . . . A . 1 ARG HA . . A . 1 ARG HG3 . . . 1 ARG+ HA . . . . . 1 ARG+ HG3 . . c34337_6q8l 1 4 1 OR . 1 1 2 2 ARG HA H . . . 1 1 2 2 ARG HG2 H . . . . . . . 3.15 . . . . . A . 1 ARG HA . . A . 1 ARG HG2 . . . 1 ARG+ HA . . . . . 1 ARG+ QG . . c34337_6q8l 1 4 2 OR . 1 1 2 2 ARG HA H . . . 1 1 2 2 ARG HG3 H . . . . . . . 3.15 . . . . . A . 1 ARG HA . . A . 1 ARG HG3 . . . 1 ARG+ HA . . . . . 1 ARG+ QG . . c34337_6q8l 1 5 1 OR . 1 1 2 2 ARG HA H . . . 1 1 2 2 ARG HD2 H . . . . . . . 5.88 . . . . . A . 1 ARG HA . . A . 1 ARG HD2 . . . 1 ARG+ HA . . . . . 1 ARG+ QD . . c34337_6q8l 1 5 2 OR . 1 1 2 2 ARG HA H . . . 1 1 2 2 ARG HD3 H . . . . . . . 5.88 . . . . . A . 1 ARG HA . . A . 1 ARG HD3 . . . 1 ARG+ HA . . . . . 1 ARG+ QD . . c34337_6q8l 1 6 1 . . 1 1 2 2 ARG HA H . . . 1 1 3 3 PRO HD2 H . . . . . . . 3.86 . . . . . A . 1 ARG HA . . A . 2 PRO HD2 . . . 1 ARG+ HA . . . . . 2 PRO HD2 . . c34337_6q8l 1 7 1 . . 1 1 3 3 PRO HD3 H . . . 1 1 2 2 ARG HA H . . . . . . . 3.86 . . . . . A . 2 PRO HD3 . . A . 1 ARG HA . . . 2 PRO HD3 . . . . . 1 ARG+ HA . . c34337_6q8l 1 8 1 OR . 1 1 2 2 ARG HA H . . . 1 1 3 3 PRO HD2 H . . . . . . . 3.30 . . . . . A . 1 ARG HA . . A . 2 PRO HD2 . . . 1 ARG+ HA . . . . . 2 PRO QD . . c34337_6q8l 1 8 2 OR . 1 1 3 3 PRO HD3 H . . . 1 1 2 2 ARG HA H . . . . . . . 3.30 . . . . . A . 2 PRO HD3 . . A . 1 ARG HA . . . 2 PRO QD . . . . . 1 ARG+ HA . . c34337_6q8l 1 9 1 OR . 1 1 2 2 ARG HE H . . . 1 1 2 2 ARG HB2 H . . . . . . . 6.16 . . . . . A . 1 ARG HE . . A . 1 ARG HB2 . . . 1 ARG+ HE . . . . . 1 ARG+ QB . . c34337_6q8l 1 9 2 OR . 1 1 2 2 ARG HB3 H . . . 1 1 2 2 ARG HE H . . . . . . . 6.16 . . . . . A . 1 ARG HB3 . . A . 1 ARG HE . . . 1 ARG+ QB . . . . . 1 ARG+ HE . . c34337_6q8l 1 10 1 . . 1 1 3 3 PRO HA H . . . 1 1 4 4 LEU H H . . . . . . . 3.41 . . . . . A . 2 PRO HA . . A . 3 LEU H . . . 2 PRO HA . . . . . 3 LEU HN . . c34337_6q8l 1 11 1 . . 1 1 3 3 PRO HA H . . . 1 1 6 6 THR MG H . . . . . . . 6.28 . . . . . A . 2 PRO HA . . A . 5 THR MG . . . 2 PRO HA . . . . . 5 THR QG2 . . c34337_6q8l 1 12 1 OR . 1 1 4 4 LEU H H . . . 1 1 3 3 PRO HB2 H . . . . . . . 3.77 . . . . . A . 3 LEU H . . A . 2 PRO HB2 . . . 3 LEU HN . . . . . 2 PRO QB . . c34337_6q8l 1 12 2 OR . 1 1 4 4 LEU H H . . . 1 1 3 3 PRO HB3 H . . . . . . . 3.77 . . . . . A . 3 LEU H . . A . 2 PRO HB3 . . . 3 LEU HN . . . . . 2 PRO QB . . c34337_6q8l 1 13 1 . . 1 1 4 4 LEU H H . . . 1 1 3 3 PRO HD2 H . . . . . . . 5.50 . . . . . A . 3 LEU H . . A . 2 PRO HD2 . . . 3 LEU HN . . . . . 2 PRO HD2 . . c34337_6q8l 1 14 1 . . 1 1 3 3 PRO HD3 H . . . 1 1 4 4 LEU H H . . . . . . . 5.50 . . . . . A . 2 PRO HD3 . . A . 3 LEU H . . . 2 PRO HD3 . . . . . 3 LEU HN . . c34337_6q8l 1 15 1 OR . 1 1 4 4 LEU H H . . . 1 1 3 3 PRO HD2 H . . . . . . . 4.75 . . . . . A . 3 LEU H . . A . 2 PRO HD2 . . . 3 LEU HN . . . . . 2 PRO QD . . c34337_6q8l 1 15 2 OR . 1 1 3 3 PRO HD3 H . . . 1 1 4 4 LEU H H . . . . . . . 4.75 . . . . . A . 2 PRO HD3 . . A . 3 LEU H . . . 2 PRO QD . . . . . 3 LEU HN . . c34337_6q8l 1 16 1 . . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU HG H . . . . . . . 3.11 . . . . . A . 3 LEU H . . A . 3 LEU HG . . . 3 LEU HN . . . . . 3 LEU HG . . c34337_6q8l 1 17 1 . . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU MD1 H . . . . . . . 5.23 . . . . . A . 3 LEU H . . A . 3 LEU MD1 . . . 3 LEU HN . . . . . 3 LEU QD1 . . c34337_6q8l 1 18 1 . . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU MD2 H . . . . . . . 5.23 . . . . . A . 3 LEU H . . A . 3 LEU MD2 . . . 3 LEU HN . . . . . 3 LEU QD2 . . c34337_6q8l 1 19 1 OR . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU MD1 H . . . . . . . 4.58 . . . . . A . 3 LEU H . . A . 3 LEU MD1 . . . 3 LEU HN . . . . . 3 LEU QQD . . c34337_6q8l 1 19 2 OR . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU MD2 H . . . . . . . 4.58 . . . . . A . 3 LEU H . . A . 3 LEU MD2 . . . 3 LEU HN . . . . . 3 LEU QQD . . c34337_6q8l 1 20 1 . . 1 1 4 4 LEU HG H . . . 1 1 4 4 LEU HA H . . . . . . . 2.74 . . . . . A . 3 LEU HG . . A . 3 LEU HA . . . 3 LEU HG . . . . . 3 LEU HA . . c34337_6q8l 1 21 1 . . 1 1 4 4 LEU HA H . . . 1 1 4 4 LEU MD1 H . . . . . . . 4.36 . . . . . A . 3 LEU HA . . A . 3 LEU MD1 . . . 3 LEU HA . . . . . 3 LEU QD1 . . c34337_6q8l 1 22 1 . . 1 1 4 4 LEU MD2 H . . . 1 1 4 4 LEU HA H . . . . . . . 4.36 . . . . . A . 3 LEU MD2 . . A . 3 LEU HA . . . 3 LEU QD2 . . . . . 3 LEU HA . . c34337_6q8l 1 23 1 OR . 1 1 4 4 LEU HA H . . . 1 1 4 4 LEU MD1 H . . . . . . . 3.87 . . . . . A . 3 LEU HA . . A . 3 LEU MD1 . . . 3 LEU HA . . . . . 3 LEU QQD . . c34337_6q8l 1 23 2 OR . 1 1 4 4 LEU MD2 H . . . 1 1 4 4 LEU HA H . . . . . . . 3.87 . . . . . A . 3 LEU MD2 . . A . 3 LEU HA . . . 3 LEU QQD . . . . . 3 LEU HA . . c34337_6q8l 1 24 1 OR . 1 1 4 4 LEU HA H . . . 1 1 5 5 ASP HB2 H . . . . . . . 5.04 . . . . . A . 3 LEU HA . . A . 4 ASP HB2 . . . 3 LEU HA . . . . . 4 ASP QB . . c34337_6q8l 1 24 2 OR . 1 1 4 4 LEU HA H . . . 1 1 5 5 ASP HB3 H . . . . . . . 5.04 . . . . . A . 3 LEU HA . . A . 4 ASP HB3 . . . 3 LEU HA . . . . . 4 ASP QB . . c34337_6q8l 1 25 1 . . 1 1 4 4 LEU HA H . . . 1 1 6 6 THR H H . . . . . . . 3.86 . . . . . A . 3 LEU HA . . A . 5 THR H . . . 3 LEU HA . . . . . 5 THR HN . . c34337_6q8l 1 26 1 . . 1 1 4 4 LEU HA H . . . 1 1 7 7 VAL H H . . . . . . . 4.20 . . . . . A . 3 LEU HA . . A . 6 VAL H . . . 3 LEU HA . . . . . 6 VAL HN . . c34337_6q8l 1 27 1 . . 1 1 4 4 LEU HA H . . . 1 1 7 7 VAL HB H . . . . . . . 3.83 . . . . . A . 3 LEU HA . . A . 6 VAL HB . . . 3 LEU HA . . . . . 6 VAL HB . . c34337_6q8l 1 28 1 OR . 1 1 4 4 LEU HA H . . . 1 1 7 7 VAL MG2 H . . . . . . . 4.51 . . . . . A . 3 LEU HA . . A . 6 VAL MG2 . . . 3 LEU HA . . . . . 6 VAL QQG . . c34337_6q8l 1 28 2 OR . 1 1 4 4 LEU HA H . . . 1 1 7 7 VAL MG1 H . . . . . . . 4.51 . . . . . A . 3 LEU HA . . A . 6 VAL MG1 . . . 3 LEU HA . . . . . 6 VAL QQG . . c34337_6q8l 1 29 1 OR . 1 1 5 5 ASP H H . . . 1 1 5 5 ASP HB2 H . . . . . . . 4.02 . . . . . A . 4 ASP H . . A . 4 ASP HB2 . . . 4 ASP HN . . . . . 4 ASP QB . . c34337_6q8l 1 29 2 OR . 1 1 5 5 ASP HB3 H . . . 1 1 5 5 ASP H H . . . . . . . 4.02 . . . . . A . 4 ASP HB3 . . A . 4 ASP H . . . 4 ASP QB . . . . . 4 ASP HN . . c34337_6q8l 1 30 1 . . 1 1 6 6 THR H H . . . 1 1 5 5 ASP H H . . . . . . . 3.24 . . . . . A . 5 THR H . . A . 4 ASP H . . . 5 THR HN . . . . . 4 ASP HN . . c34337_6q8l 1 31 1 . . 1 1 6 6 THR H H . . . 1 1 5 5 ASP HA H . . . . . . . 3.33 . . . . . A . 5 THR H . . A . 4 ASP HA . . . 5 THR HN . . . . . 4 ASP HA . . c34337_6q8l 1 32 1 . . 1 1 7 7 VAL H H . . . 1 1 5 5 ASP HA H . . . . . . . 4.45 . . . . . A . 6 VAL H . . A . 4 ASP HA . . . 6 VAL HN . . . . . 4 ASP HA . . c34337_6q8l 1 33 1 OR . 1 1 6 6 THR H H . . . 1 1 5 5 ASP HB2 H . . . . . . . 5.04 . . . . . A . 5 THR H . . A . 4 ASP HB2 . . . 5 THR HN . . . . . 4 ASP QB . . c34337_6q8l 1 33 2 OR . 1 1 5 5 ASP HB3 H . . . 1 1 6 6 THR H H . . . . . . . 5.04 . . . . . A . 4 ASP HB3 . . A . 5 THR H . . . 4 ASP QB . . . . . 5 THR HN . . c34337_6q8l 1 34 1 OR . 1 1 5 5 ASP HB3 H . . . 1 1 9 9 ARG HG2 H . . . . . . . 7.25 . . . . . A . 4 ASP HB3 . . A . 8 ARG HG2 . . . 4 ASP QB . . . . . 8 ARG+ QG . . c34337_6q8l 1 34 2 OR . 1 1 5 5 ASP HB2 H . . . 1 1 9 9 ARG HG2 H . . . . . . . 7.25 . . . . . A . 4 ASP HB2 . . A . 8 ARG HG2 . . . 4 ASP QB . . . . . 8 ARG+ QG . . c34337_6q8l 1 34 3 OR . 1 1 9 9 ARG HG3 H . . . 1 1 5 5 ASP HB2 H . . . . . . . 7.25 . . . . . A . 8 ARG HG3 . . A . 4 ASP HB2 . . . 8 ARG+ QG . . . . . 4 ASP QB . . c34337_6q8l 1 34 4 OR . 1 1 5 5 ASP HB3 H . . . 1 1 9 9 ARG HG3 H . . . . . . . 7.25 . . . . . A . 4 ASP HB3 . . A . 8 ARG HG3 . . . 4 ASP QB . . . . . 8 ARG+ QG . . c34337_6q8l 1 35 1 OR . 1 1 5 5 ASP HB2 H . . . 1 1 9 9 ARG HD2 H . . . . . . . 7.25 . . . . . A . 4 ASP HB2 . . A . 8 ARG HD2 . . . 4 ASP QB . . . . . 8 ARG+ QD . . c34337_6q8l 1 35 2 OR . 1 1 5 5 ASP HB3 H . . . 1 1 9 9 ARG HD2 H . . . . . . . 7.25 . . . . . A . 4 ASP HB3 . . A . 8 ARG HD2 . . . 4 ASP QB . . . . . 8 ARG+ QD . . c34337_6q8l 1 35 3 OR . 1 1 9 9 ARG HD3 H . . . 1 1 5 5 ASP HB2 H . . . . . . . 7.25 . . . . . A . 8 ARG HD3 . . A . 4 ASP HB2 . . . 8 ARG+ QD . . . . . 4 ASP QB . . c34337_6q8l 1 35 4 OR . 1 1 5 5 ASP HB3 H . . . 1 1 9 9 ARG HD3 H . . . . . . . 7.25 . . . . . A . 4 ASP HB3 . . A . 8 ARG HD3 . . . 4 ASP QB . . . . . 8 ARG+ QD . . c34337_6q8l 1 36 1 . . 1 1 6 6 THR MG H . . . 1 1 6 6 THR H H . . . . . . . 4.76 . . . . . A . 5 THR MG . . A . 5 THR H . . . 5 THR QG2 . . . . . 5 THR HN . . c34337_6q8l 1 37 1 . . 1 1 6 6 THR H H . . . 1 1 7 7 VAL H H . . . . . . . 3.11 . . . . . A . 5 THR H . . A . 6 VAL H . . . 5 THR HN . . . . . 6 VAL HN . . c34337_6q8l 1 38 1 OR . 1 1 6 6 THR H H . . . 1 1 7 7 VAL MG2 H . . . . . . . 5.92 . . . . . A . 5 THR H . . A . 6 VAL MG2 . . . 5 THR HN . . . . . 6 VAL QQG . . c34337_6q8l 1 38 2 OR . 1 1 6 6 THR H H . . . 1 1 7 7 VAL MG1 H . . . . . . . 5.92 . . . . . A . 5 THR H . . A . 6 VAL MG1 . . . 5 THR HN . . . . . 6 VAL QQG . . c34337_6q8l 1 39 1 . . 1 1 6 6 THR MG H . . . 1 1 6 6 THR HA H . . . . . . . 3.83 . . . . . A . 5 THR MG . . A . 5 THR HA . . . 5 THR QG2 . . . . . 5 THR HA . . c34337_6q8l 1 40 1 . . 1 1 7 7 VAL H H . . . 1 1 6 6 THR HA H . . . . . . . 3.05 . . . . . A . 6 VAL H . . A . 5 THR HA . . . 6 VAL HN . . . . . 5 THR HA . . c34337_6q8l 1 41 1 . . 1 1 6 6 THR HA H . . . 1 1 8 8 GLN H H . . . . . . . 4.32 . . . . . A . 5 THR HA . . A . 7 GLN H . . . 5 THR HA . . . . . 7 GLN HN . . c34337_6q8l 1 42 1 . . 1 1 6 6 THR MG H . . . 1 1 7 7 VAL H H . . . . . . . 6.53 . . . . . A . 5 THR MG . . A . 6 VAL H . . . 5 THR QG2 . . . . . 6 VAL HN . . c34337_6q8l 1 43 1 . . 1 1 7 7 VAL H H . . . 1 1 7 7 VAL HB H . . . . . . . 3.21 . . . . . A . 6 VAL H . . A . 6 VAL HB . . . 6 VAL HN . . . . . 6 VAL HB . . c34337_6q8l 1 44 1 . . 1 1 7 7 VAL H H . . . 1 1 7 7 VAL MG1 H . . . . . . . 5.07 . . . . . A . 6 VAL H . . A . 6 VAL MG1 . . . 6 VAL HN . . . . . 6 VAL QG1 . . c34337_6q8l 1 45 1 . . 1 1 7 7 VAL H H . . . 1 1 7 7 VAL MG2 H . . . . . . . 5.07 . . . . . A . 6 VAL H . . A . 6 VAL MG2 . . . 6 VAL HN . . . . . 6 VAL QG2 . . c34337_6q8l 1 46 1 OR . 1 1 7 7 VAL H H . . . 1 1 7 7 VAL MG2 H . . . . . . . 4.12 . . . . . A . 6 VAL H . . A . 6 VAL MG2 . . . 6 VAL HN . . . . . 6 VAL QQG . . c34337_6q8l 1 46 2 OR . 1 1 7 7 VAL H H . . . 1 1 7 7 VAL MG1 H . . . . . . . 4.12 . . . . . A . 6 VAL H . . A . 6 VAL MG1 . . . 6 VAL HN . . . . . 6 VAL QQG . . c34337_6q8l 1 47 1 . . 1 1 7 7 VAL H H . . . 1 1 8 8 GLN H H . . . . . . . 3.64 . . . . . A . 6 VAL H . . A . 7 GLN H . . . 6 VAL HN . . . . . 7 GLN HN . . c34337_6q8l 1 48 1 . . 1 1 7 7 VAL HB H . . . 1 1 7 7 VAL HA H . . . . . . . 3.02 . . . . . A . 6 VAL HB . . A . 6 VAL HA . . . 6 VAL HB . . . . . 6 VAL HA . . c34337_6q8l 1 49 1 . . 1 1 7 7 VAL MG1 H . . . 1 1 7 7 VAL HA H . . . . . . . 4.02 . . . . . A . 6 VAL MG1 . . A . 6 VAL HA . . . 6 VAL QG1 . . . . . 6 VAL HA . . c34337_6q8l 1 50 1 . . 1 1 7 7 VAL HA H . . . 1 1 7 7 VAL MG2 H . . . . . . . 4.02 . . . . . A . 6 VAL HA . . A . 6 VAL MG2 . . . 6 VAL HA . . . . . 6 VAL QG2 . . c34337_6q8l 1 51 1 . . 1 1 8 8 GLN H H . . . 1 1 7 7 VAL HA H . . . . . . . 3.49 . . . . . A . 7 GLN H . . A . 6 VAL HA . . . 7 GLN HN . . . . . 6 VAL HA . . c34337_6q8l 1 52 1 . . 1 1 7 7 VAL HA H . . . 1 1 9 9 ARG H H . . . . . . . 4.57 . . . . . A . 6 VAL HA . . A . 8 ARG H . . . 6 VAL HA . . . . . 8 ARG+ HN . . c34337_6q8l 1 53 1 . . 1 1 7 7 VAL HB H . . . 1 1 8 8 GLN H H . . . . . . . 3.33 . . . . . A . 6 VAL HB . . A . 7 GLN H . . . 6 VAL HB . . . . . 7 GLN HN . . c34337_6q8l 1 54 1 . . 1 1 7 7 VAL MG1 H . . . 1 1 8 8 GLN H H . . . . . . . 5.04 . . . . . A . 6 VAL MG1 . . A . 7 GLN H . . . 6 VAL QG1 . . . . . 7 GLN HN . . c34337_6q8l 1 55 1 OR . 1 1 7 7 VAL MG1 H . . . 1 1 8 8 GLN HG3 H . . . . . . . 7.40 . . . . . A . 6 VAL MG1 . . A . 7 GLN HG3 . . . 6 VAL QG1 . . . . . 7 GLN QG . . c34337_6q8l 1 55 2 OR . 1 1 7 7 VAL MG1 H . . . 1 1 8 8 GLN HG2 H . . . . . . . 7.40 . . . . . A . 6 VAL MG1 . . A . 7 GLN HG2 . . . 6 VAL QG1 . . . . . 7 GLN QG . . c34337_6q8l 1 56 1 . . 1 1 8 8 GLN H H . . . 1 1 7 7 VAL MG2 H . . . . . . . 5.04 . . . . . A . 7 GLN H . . A . 6 VAL MG2 . . . 7 GLN HN . . . . . 6 VAL QG2 . . c34337_6q8l 1 57 1 OR . 1 1 8 8 GLN HG3 H . . . 1 1 7 7 VAL MG2 H . . . . . . . 7.40 . . . . . A . 7 GLN HG3 . . A . 6 VAL MG2 . . . 7 GLN QG . . . . . 6 VAL QG2 . . c34337_6q8l 1 57 2 OR . 1 1 7 7 VAL MG2 H . . . 1 1 8 8 GLN HG2 H . . . . . . . 7.40 . . . . . A . 6 VAL MG2 . . A . 7 GLN HG2 . . . 6 VAL QG2 . . . . . 7 GLN QG . . c34337_6q8l 1 58 1 OR . 1 1 8 8 GLN H H . . . 1 1 7 7 VAL MG2 H . . . . . . . 4.17 . . . . . A . 7 GLN H . . A . 6 VAL MG2 . . . 7 GLN HN . . . . . 6 VAL QQG . . c34337_6q8l 1 58 2 OR . 1 1 7 7 VAL MG1 H . . . 1 1 8 8 GLN H H . . . . . . . 4.17 . . . . . A . 6 VAL MG1 . . A . 7 GLN H . . . 6 VAL QQG . . . . . 7 GLN HN . . c34337_6q8l 1 59 1 . . 1 1 8 8 GLN H H . . . 1 1 8 8 GLN HB2 H . . . . . . . 3.27 . . . . . A . 7 GLN H . . A . 7 GLN HB2 . . . 7 GLN HN . . . . . 7 GLN HB2 . . c34337_6q8l 1 60 1 . . 1 1 8 8 GLN H H . . . 1 1 8 8 GLN HB3 H . . . . . . . 3.27 . . . . . A . 7 GLN H . . A . 7 GLN HB3 . . . 7 GLN HN . . . . . 7 GLN HB3 . . c34337_6q8l 1 61 1 OR . 1 1 8 8 GLN H H . . . 1 1 8 8 GLN HB2 H . . . . . . . 2.77 . . . . . A . 7 GLN H . . A . 7 GLN HB2 . . . 7 GLN HN . . . . . 7 GLN QB . . c34337_6q8l 1 61 2 OR . 1 1 8 8 GLN H H . . . 1 1 8 8 GLN HB3 H . . . . . . . 2.77 . . . . . A . 7 GLN H . . A . 7 GLN HB3 . . . 7 GLN HN . . . . . 7 GLN QB . . c34337_6q8l 1 62 1 OR . 1 1 8 8 GLN H H . . . 1 1 8 8 GLN HG2 H . . . . . . . 5.20 . . . . . A . 7 GLN H . . A . 7 GLN HG2 . . . 7 GLN HN . . . . . 7 GLN QG . . c34337_6q8l 1 62 2 OR . 1 1 8 8 GLN H H . . . 1 1 8 8 GLN HG3 H . . . . . . . 5.20 . . . . . A . 7 GLN H . . A . 7 GLN HG3 . . . 7 GLN HN . . . . . 7 GLN QG . . c34337_6q8l 1 63 1 . . 1 1 8 8 GLN H H . . . 1 1 9 9 ARG H H . . . . . . . 3.79 . . . . . A . 7 GLN H . . A . 8 ARG H . . . 7 GLN HN . . . . . 8 ARG+ HN . . c34337_6q8l 1 64 1 . . 1 1 8 8 GLN HA H . . . 1 1 8 8 GLN HB2 H . . . . . . . 3.05 . . . . . A . 7 GLN HA . . A . 7 GLN HB2 . . . 7 GLN HA . . . . . 7 GLN HB2 . . c34337_6q8l 1 65 1 . . 1 1 8 8 GLN HB3 H . . . 1 1 8 8 GLN HA H . . . . . . . 3.05 . . . . . A . 7 GLN HB3 . . A . 7 GLN HA . . . 7 GLN HB3 . . . . . 7 GLN HA . . c34337_6q8l 1 66 1 OR . 1 1 8 8 GLN HA H . . . 1 1 8 8 GLN HB2 H . . . . . . . 2.62 . . . . . A . 7 GLN HA . . A . 7 GLN HB2 . . . 7 GLN HA . . . . . 7 GLN QB . . c34337_6q8l 1 66 2 OR . 1 1 8 8 GLN HB3 H . . . 1 1 8 8 GLN HA H . . . . . . . 2.62 . . . . . A . 7 GLN HB3 . . A . 7 GLN HA . . . 7 GLN QB . . . . . 7 GLN HA . . c34337_6q8l 1 67 1 . . 1 1 9 9 ARG H H . . . 1 1 8 8 GLN HB2 H . . . . . . . 3.52 . . . . . A . 8 ARG H . . A . 7 GLN HB2 . . . 8 ARG+ HN . . . . . 7 GLN HB2 . . c34337_6q8l 1 68 1 . . 1 1 9 9 ARG H H . . . 1 1 8 8 GLN HB3 H . . . . . . . 3.52 . . . . . A . 8 ARG H . . A . 7 GLN HB3 . . . 8 ARG+ HN . . . . . 7 GLN HB3 . . c34337_6q8l 1 69 1 OR . 1 1 9 9 ARG H H . . . 1 1 9 9 ARG HB2 H . . . . . . . 4.18 . . . . . A . 8 ARG H . . A . 8 ARG HB2 . . . 8 ARG+ HN . . . . . 8 ARG+ QB . . c34337_6q8l 1 69 2 OR . 1 1 9 9 ARG H H . . . 1 1 9 9 ARG HB3 H . . . . . . . 4.18 . . . . . A . 8 ARG H . . A . 8 ARG HB3 . . . 8 ARG+ HN . . . . . 8 ARG+ QB . . c34337_6q8l 1 70 1 OR . 1 1 9 9 ARG H H . . . 1 1 9 9 ARG HG2 H . . . . . . . 4.92 . . . . . A . 8 ARG H . . A . 8 ARG HG2 . . . 8 ARG+ HN . . . . . 8 ARG+ QG . . c34337_6q8l 1 70 2 OR . 1 1 9 9 ARG HG3 H . . . 1 1 9 9 ARG H H . . . . . . . 4.92 . . . . . A . 8 ARG HG3 . . A . 8 ARG H . . . 8 ARG+ QG . . . . . 8 ARG+ HN . . c34337_6q8l 1 71 1 OR . 1 1 9 9 ARG H H . . . 1 1 9 9 ARG HD2 H . . . . . . . 6.38 . . . . . A . 8 ARG H . . A . 8 ARG HD2 . . . 8 ARG+ HN . . . . . 8 ARG+ QD . . c34337_6q8l 1 71 2 OR . 1 1 9 9 ARG HD3 H . . . 1 1 9 9 ARG H H . . . . . . . 6.38 . . . . . A . 8 ARG HD3 . . A . 8 ARG H . . . 8 ARG+ QD . . . . . 8 ARG+ HN . . c34337_6q8l 1 72 1 OR . 1 1 9 9 ARG H H . . . 1 1 10 10 PRO HB2 H . . . . . . . 5.35 . . . . . A . 8 ARG H . . A . 9 PRO HB2 . . . 8 ARG+ HN . . . . . 9 PRO QB . . c34337_6q8l 1 72 2 OR . 1 1 9 9 ARG H H . . . 1 1 10 10 PRO HB3 H . . . . . . . 5.35 . . . . . A . 8 ARG H . . A . 9 PRO HB3 . . . 8 ARG+ HN . . . . . 9 PRO QB . . c34337_6q8l 1 73 1 OR . 1 1 9 9 ARG H H . . . 1 1 10 10 PRO HG2 H . . . . . . . 5.88 . . . . . A . 8 ARG H . . A . 9 PRO HG2 . . . 8 ARG+ HN . . . . . 9 PRO QG . . c34337_6q8l 1 73 2 OR . 1 1 9 9 ARG H H . . . 1 1 10 10 PRO HG3 H . . . . . . . 5.88 . . . . . A . 8 ARG H . . A . 9 PRO HG3 . . . 8 ARG+ HN . . . . . 9 PRO QG . . c34337_6q8l 1 74 1 OR . 1 1 9 9 ARG H H . . . 1 1 10 10 PRO HD2 H . . . . . . . 4.38 . . . . . A . 8 ARG H . . A . 9 PRO HD2 . . . 8 ARG+ HN . . . . . 9 PRO QD . . c34337_6q8l 1 74 2 OR . 1 1 9 9 ARG H H . . . 1 1 10 10 PRO HD3 H . . . . . . . 4.38 . . . . . A . 8 ARG H . . A . 9 PRO HD3 . . . 8 ARG+ HN . . . . . 9 PRO QD . . c34337_6q8l 1 75 1 OR . 1 1 9 9 ARG HA H . . . 1 1 9 9 ARG HD2 H . . . . . . . 6.00 . . . . . A . 8 ARG HA . . A . 8 ARG HD2 . . . 8 ARG+ HA . . . . . 8 ARG+ QD . . c34337_6q8l 1 75 2 OR . 1 1 9 9 ARG HD3 H . . . 1 1 9 9 ARG HA H . . . . . . . 6.00 . . . . . A . 8 ARG HD3 . . A . 8 ARG HA . . . 8 ARG+ QD . . . . . 8 ARG+ HA . . c34337_6q8l 1 76 1 . . 1 1 9 9 ARG HA H . . . 1 1 10 10 PRO HD2 H . . . . . . . 3.02 . . . . . A . 8 ARG HA . . A . 9 PRO HD2 . . . 8 ARG+ HA . . . . . 9 PRO HD2 . . c34337_6q8l 1 77 1 . . 1 1 10 10 PRO HD3 H . . . 1 1 9 9 ARG HA H . . . . . . . 3.02 . . . . . A . 9 PRO HD3 . . A . 8 ARG HA . . . 9 PRO HD3 . . . . . 8 ARG+ HA . . c34337_6q8l 1 78 1 OR . 1 1 9 9 ARG HE H . . . 1 1 9 9 ARG HB2 H . . . . . . . 6.04 . . . . . A . 8 ARG HE . . A . 8 ARG HB2 . . . 8 ARG+ HE . . . . . 8 ARG+ QB . . c34337_6q8l 1 78 2 OR . 1 1 9 9 ARG HB3 H . . . 1 1 9 9 ARG HE H . . . . . . . 6.04 . . . . . A . 8 ARG HB3 . . A . 8 ARG HE . . . 8 ARG+ QB . . . . . 8 ARG+ HE . . c34337_6q8l 1 79 1 OR . 1 1 9 9 ARG HB3 H . . . 1 1 10 10 PRO HD2 H . . . . . . . 4.78 . . . . . A . 8 ARG HB3 . . A . 9 PRO HD2 . . . 8 ARG+ QB . . . . . 9 PRO QD . . c34337_6q8l 1 79 2 OR . 1 1 9 9 ARG HB2 H . . . 1 1 10 10 PRO HD2 H . . . . . . . 4.78 . . . . . A . 8 ARG HB2 . . A . 9 PRO HD2 . . . 8 ARG+ QB . . . . . 9 PRO QD . . c34337_6q8l 1 79 3 OR . 1 1 10 10 PRO HD3 H . . . 1 1 9 9 ARG HB2 H . . . . . . . 4.78 . . . . . A . 9 PRO HD3 . . A . 8 ARG HB2 . . . 9 PRO QD . . . . . 8 ARG+ QB . . c34337_6q8l 1 79 4 OR . 1 1 9 9 ARG HB3 H . . . 1 1 10 10 PRO HD3 H . . . . . . . 4.78 . . . . . A . 8 ARG HB3 . . A . 9 PRO HD3 . . . 8 ARG+ QB . . . . . 9 PRO QD . . c34337_6q8l 1 80 1 OR . 1 1 9 9 ARG HG2 H . . . 1 1 10 10 PRO HD2 H . . . . . . . 5.36 . . . . . A . 8 ARG HG2 . . A . 9 PRO HD2 . . . 8 ARG+ QG . . . . . 9 PRO QD . . c34337_6q8l 1 80 2 OR . 1 1 9 9 ARG HG3 H . . . 1 1 10 10 PRO HD2 H . . . . . . . 5.36 . . . . . A . 8 ARG HG3 . . A . 9 PRO HD2 . . . 8 ARG+ QG . . . . . 9 PRO QD . . c34337_6q8l 1 80 3 OR . 1 1 10 10 PRO HD3 H . . . 1 1 9 9 ARG HG2 H . . . . . . . 5.36 . . . . . A . 9 PRO HD3 . . A . 8 ARG HG2 . . . 9 PRO QD . . . . . 8 ARG+ QG . . c34337_6q8l 1 80 4 OR . 1 1 9 9 ARG HG3 H . . . 1 1 10 10 PRO HD3 H . . . . . . . 5.36 . . . . . A . 8 ARG HG3 . . A . 9 PRO HD3 . . . 8 ARG+ QG . . . . . 9 PRO QD . . c34337_6q8l 1 81 1 . . 1 1 10 10 PRO HA H . . . 1 1 11 11 LYS H H . . . . . . . 2.59 . . . . . A . 9 PRO HA . . A . 10 LYS H . . . 9 PRO HA . . . . . 10 LYS+ HN . . c34337_6q8l 1 82 1 OR . 1 1 11 11 LYS H H . . . 1 1 10 10 PRO HB2 H . . . . . . . 4.70 . . . . . A . 10 LYS H . . A . 9 PRO HB2 . . . 10 LYS+ HN . . . . . 9 PRO QB . . c34337_6q8l 1 82 2 OR . 1 1 10 10 PRO HB3 H . . . 1 1 11 11 LYS H H . . . . . . . 4.70 . . . . . A . 9 PRO HB3 . . A . 10 LYS H . . . 9 PRO QB . . . . . 10 LYS+ HN . . c34337_6q8l 1 83 1 OR . 1 1 13 13 TYR QD H . . . 1 1 10 10 PRO HB2 H . . . . . . . 8.52 . . . . . A . 12 TYR QD . . A . 9 PRO HB2 . . . 12 TYR QD . . . . . 9 PRO QB . . c34337_6q8l 1 83 2 OR . 1 1 10 10 PRO HB3 H . . . 1 1 13 13 TYR QD H . . . . . . . 8.52 . . . . . A . 9 PRO HB3 . . A . 12 TYR QD . . . 9 PRO QB . . . . . 12 TYR QD . . c34337_6q8l 1 84 1 OR . 1 1 13 13 TYR QE H . . . 1 1 10 10 PRO HB2 H . . . . . . . 8.51 . . . . . A . 12 TYR QE . . A . 9 PRO HB2 . . . 12 TYR QE . . . . . 9 PRO QB . . c34337_6q8l 1 84 2 OR . 1 1 10 10 PRO HB3 H . . . 1 1 13 13 TYR QE H . . . . . . . 8.51 . . . . . A . 9 PRO HB3 . . A . 12 TYR QE . . . 9 PRO QB . . . . . 12 TYR QE . . c34337_6q8l 1 85 1 OR . 1 1 11 11 LYS H H . . . 1 1 10 10 PRO HG2 H . . . . . . . 5.60 . . . . . A . 10 LYS H . . A . 9 PRO HG2 . . . 10 LYS+ HN . . . . . 9 PRO QG . . c34337_6q8l 1 85 2 OR . 1 1 10 10 PRO HG3 H . . . 1 1 11 11 LYS H H . . . . . . . 5.60 . . . . . A . 9 PRO HG3 . . A . 10 LYS H . . . 9 PRO QG . . . . . 10 LYS+ HN . . c34337_6q8l 1 86 1 OR . 1 1 13 13 TYR HB2 H . . . 1 1 10 10 PRO HG2 H . . . . . . . 6.38 . . . . . A . 12 TYR HB2 . . A . 9 PRO HG2 . . . 12 TYR HB2 . . . . . 9 PRO QG . . c34337_6q8l 1 86 2 OR . 1 1 10 10 PRO HG3 H . . . 1 1 13 13 TYR HB2 H . . . . . . . 6.38 . . . . . A . 9 PRO HG3 . . A . 12 TYR HB2 . . . 9 PRO QG . . . . . 12 TYR HB2 . . c34337_6q8l 1 87 1 . . 1 1 11 11 LYS H H . . . 1 1 10 10 PRO HD2 H . . . . . . . 5.50 . . . . . A . 10 LYS H . . A . 9 PRO HD2 . . . 10 LYS+ HN . . . . . 9 PRO HD2 . . c34337_6q8l 1 88 1 . . 1 1 13 13 TYR HB2 H . . . 1 1 10 10 PRO HD2 H . . . . . . . 5.50 . . . . . A . 12 TYR HB2 . . A . 9 PRO HD2 . . . 12 TYR HB2 . . . . . 9 PRO HD2 . . c34337_6q8l 1 89 1 . . 1 1 13 13 TYR QD H . . . 1 1 10 10 PRO HD2 H . . . . . . . 7.64 . . . . . A . 12 TYR QD . . A . 9 PRO HD2 . . . 12 TYR QD . . . . . 9 PRO HD2 . . c34337_6q8l 1 90 1 . . 1 1 10 10 PRO HD3 H . . . 1 1 11 11 LYS H H . . . . . . . 5.50 . . . . . A . 9 PRO HD3 . . A . 10 LYS H . . . 9 PRO HD3 . . . . . 10 LYS+ HN . . c34337_6q8l 1 91 1 . . 1 1 10 10 PRO HD3 H . . . 1 1 13 13 TYR HB2 H . . . . . . . 5.50 . . . . . A . 9 PRO HD3 . . A . 12 TYR HB2 . . . 9 PRO HD3 . . . . . 12 TYR HB2 . . c34337_6q8l 1 92 1 . . 1 1 10 10 PRO HD3 H . . . 1 1 13 13 TYR QD H . . . . . . . 7.64 . . . . . A . 9 PRO HD3 . . A . 12 TYR QD . . . 9 PRO HD3 . . . . . 12 TYR QD . . c34337_6q8l 1 93 1 OR . 1 1 13 13 TYR HB2 H . . . 1 1 10 10 PRO HD2 H . . . . . . . 4.84 . . . . . A . 12 TYR HB2 . . A . 9 PRO HD2 . . . 12 TYR HB2 . . . . . 9 PRO QD . . c34337_6q8l 1 93 2 OR . 1 1 10 10 PRO HD3 H . . . 1 1 13 13 TYR HB2 H . . . . . . . 4.84 . . . . . A . 9 PRO HD3 . . A . 12 TYR HB2 . . . 9 PRO QD . . . . . 12 TYR HB2 . . c34337_6q8l 1 94 1 OR . 1 1 13 13 TYR HB3 H . . . 1 1 10 10 PRO HD2 H . . . . . . . 5.34 . . . . . A . 12 TYR HB3 . . A . 9 PRO HD2 . . . 12 TYR HB3 . . . . . 9 PRO QD . . c34337_6q8l 1 94 2 OR . 1 1 10 10 PRO HD3 H . . . 1 1 13 13 TYR HB3 H . . . . . . . 5.34 . . . . . A . 9 PRO HD3 . . A . 12 TYR HB3 . . . 9 PRO QD . . . . . 12 TYR HB3 . . c34337_6q8l 1 95 1 OR . 1 1 11 11 LYS H H . . . 1 1 11 11 LYS HB2 H . . . . . . . 3.90 . . . . . A . 10 LYS H . . A . 10 LYS HB2 . . . 10 LYS+ HN . . . . . 10 LYS+ QB . . c34337_6q8l 1 95 2 OR . 1 1 11 11 LYS H H . . . 1 1 11 11 LYS HB3 H . . . . . . . 3.90 . . . . . A . 10 LYS H . . A . 10 LYS HB3 . . . 10 LYS+ HN . . . . . 10 LYS+ QB . . c34337_6q8l 1 96 1 . . 1 1 11 11 LYS H H . . . 1 1 11 11 LYS HG2 H . . . . . . . 4.91 . . . . . A . 10 LYS H . . A . 10 LYS HG2 . . . 10 LYS+ HN . . . . . 10 LYS+ HG2 . . c34337_6q8l 1 97 1 . . 1 1 11 11 LYS H H . . . 1 1 11 11 LYS HG3 H . . . . . . . 4.91 . . . . . A . 10 LYS H . . A . 10 LYS HG3 . . . 10 LYS+ HN . . . . . 10 LYS+ HG3 . . c34337_6q8l 1 98 1 OR . 1 1 11 11 LYS H H . . . 1 1 11 11 LYS HG3 H . . . . . . . 4.22 . . . . . A . 10 LYS H . . A . 10 LYS HG3 . . . 10 LYS+ HN . . . . . 10 LYS+ QG . . c34337_6q8l 1 98 2 OR . 1 1 11 11 LYS H H . . . 1 1 11 11 LYS HG2 H . . . . . . . 4.22 . . . . . A . 10 LYS H . . A . 10 LYS HG2 . . . 10 LYS+ HN . . . . . 10 LYS+ QG . . c34337_6q8l 1 99 1 OR . 1 1 11 11 LYS H H . . . 1 1 11 11 LYS HD2 H . . . . . . . 6.38 . . . . . A . 10 LYS H . . A . 10 LYS HD2 . . . 10 LYS+ HN . . . . . 10 LYS+ QD . . c34337_6q8l 1 99 2 OR . 1 1 11 11 LYS H H . . . 1 1 11 11 LYS HD3 H . . . . . . . 6.38 . . . . . A . 10 LYS H . . A . 10 LYS HD3 . . . 10 LYS+ HN . . . . . 10 LYS+ QD . . c34337_6q8l 1 100 1 . . 1 1 11 11 LYS H H . . . 1 1 12 12 GLY H H . . . . . . . 3.58 . . . . . A . 10 LYS H . . A . 11 GLY H . . . 10 LYS+ HN . . . . . 11 GLY HN . . c34337_6q8l 1 101 1 . . 1 1 11 11 LYS HG2 H . . . 1 1 11 11 LYS HA H . . . . . . . 4.07 . . . . . A . 10 LYS HG2 . . A . 10 LYS HA . . . 10 LYS+ HG2 . . . . . 10 LYS+ HA . . c34337_6q8l 1 102 1 . . 1 1 11 11 LYS HA H . . . 1 1 11 11 LYS HG3 H . . . . . . . 4.07 . . . . . A . 10 LYS HA . . A . 10 LYS HG3 . . . 10 LYS+ HA . . . . . 10 LYS+ HG3 . . c34337_6q8l 1 103 1 OR . 1 1 11 11 LYS HA H . . . 1 1 11 11 LYS HG3 H . . . . . . . 3.57 . . . . . A . 10 LYS HA . . A . 10 LYS HG3 . . . 10 LYS+ HA . . . . . 10 LYS+ QG . . c34337_6q8l 1 103 2 OR . 1 1 11 11 LYS HG2 H . . . 1 1 11 11 LYS HA H . . . . . . . 3.57 . . . . . A . 10 LYS HG2 . . A . 10 LYS HA . . . 10 LYS+ QG . . . . . 10 LYS+ HA . . c34337_6q8l 1 104 1 OR . 1 1 11 11 LYS HA H . . . 1 1 11 11 LYS HD2 H . . . . . . . 5.79 . . . . . A . 10 LYS HA . . A . 10 LYS HD2 . . . 10 LYS+ HA . . . . . 10 LYS+ QD . . c34337_6q8l 1 104 2 OR . 1 1 11 11 LYS HD3 H . . . 1 1 11 11 LYS HA H . . . . . . . 5.79 . . . . . A . 10 LYS HD3 . . A . 10 LYS HA . . . 10 LYS+ QD . . . . . 10 LYS+ HA . . c34337_6q8l 1 105 1 OR . 1 1 11 11 LYS HA H . . . 1 1 11 11 LYS HE2 H . . . . . . . 6.38 . . . . . A . 10 LYS HA . . A . 10 LYS HE2 . . . 10 LYS+ HA . . . . . 10 LYS+ QE . . c34337_6q8l 1 105 2 OR . 1 1 11 11 LYS HA H . . . 1 1 11 11 LYS HE3 H . . . . . . . 6.38 . . . . . A . 10 LYS HA . . A . 10 LYS HE3 . . . 10 LYS+ HA . . . . . 10 LYS+ QE . . c34337_6q8l 1 106 1 . . 1 1 12 12 GLY H H . . . 1 1 11 11 LYS HA H . . . . . . . 2.62 . . . . . A . 11 GLY H . . A . 10 LYS HA . . . 11 GLY HN . . . . . 10 LYS+ HA . . c34337_6q8l 1 107 1 . . 1 1 11 11 LYS HA H . . . 1 1 13 13 TYR H H . . . . . . . 3.76 . . . . . A . 10 LYS HA . . A . 12 TYR H . . . 10 LYS+ HA . . . . . 12 TYR HN . . c34337_6q8l 1 108 1 OR . 1 1 11 11 LYS HB3 H . . . 1 1 11 11 LYS HE2 H . . . . . . . 7.25 . . . . . A . 10 LYS HB3 . . A . 10 LYS HE2 . . . 10 LYS+ QB . . . . . 10 LYS+ QE . . c34337_6q8l 1 108 2 OR . 1 1 11 11 LYS HB2 H . . . 1 1 11 11 LYS HE2 H . . . . . . . 7.25 . . . . . A . 10 LYS HB2 . . A . 10 LYS HE2 . . . 10 LYS+ QB . . . . . 10 LYS+ QE . . c34337_6q8l 1 108 3 OR . 1 1 11 11 LYS HE3 H . . . 1 1 11 11 LYS HB2 H . . . . . . . 7.25 . . . . . A . 10 LYS HE3 . . A . 10 LYS HB2 . . . 10 LYS+ QE . . . . . 10 LYS+ QB . . c34337_6q8l 1 108 4 OR . 1 1 11 11 LYS HB3 H . . . 1 1 11 11 LYS HE3 H . . . . . . . 7.25 . . . . . A . 10 LYS HB3 . . A . 10 LYS HE3 . . . 10 LYS+ QB . . . . . 10 LYS+ QE . . c34337_6q8l 1 109 1 OR . 1 1 11 11 LYS QZ H . . . 1 1 11 11 LYS HB2 H . . . . . . . 7.32 . . . . . A . 10 LYS QZ . . A . 10 LYS HB2 . . . 10 LYS+ QZ . . . . . 10 LYS+ QB . . c34337_6q8l 1 109 2 OR . 1 1 11 11 LYS HB3 H . . . 1 1 11 11 LYS QZ H . . . . . . . 7.32 . . . . . A . 10 LYS HB3 . . A . 10 LYS QZ . . . 10 LYS+ QB . . . . . 10 LYS+ QZ . . c34337_6q8l 1 110 1 OR . 1 1 12 12 GLY H H . . . 1 1 11 11 LYS HB2 H . . . . . . . 4.55 . . . . . A . 11 GLY H . . A . 10 LYS HB2 . . . 11 GLY HN . . . . . 10 LYS+ QB . . c34337_6q8l 1 110 2 OR . 1 1 11 11 LYS HB3 H . . . 1 1 12 12 GLY H H . . . . . . . 4.55 . . . . . A . 10 LYS HB3 . . A . 11 GLY H . . . 10 LYS+ QB . . . . . 11 GLY HN . . c34337_6q8l 1 111 1 . . 1 1 11 11 LYS HG2 H . . . 1 1 12 12 GLY H H . . . . . . . 5.50 . . . . . A . 10 LYS HG2 . . A . 11 GLY H . . . 10 LYS+ HG2 . . . . . 11 GLY HN . . c34337_6q8l 1 112 1 . . 1 1 12 12 GLY H H . . . 1 1 11 11 LYS HG3 H . . . . . . . 5.50 . . . . . A . 11 GLY H . . A . 10 LYS HG3 . . . 11 GLY HN . . . . . 10 LYS+ HG3 . . c34337_6q8l 1 113 1 OR . 1 1 12 12 GLY H H . . . 1 1 11 11 LYS HD2 H . . . . . . . 6.38 . . . . . A . 11 GLY H . . A . 10 LYS HD2 . . . 11 GLY HN . . . . . 10 LYS+ QD . . c34337_6q8l 1 113 2 OR . 1 1 11 11 LYS HD3 H . . . 1 1 12 12 GLY H H . . . . . . . 6.38 . . . . . A . 10 LYS HD3 . . A . 11 GLY H . . . 10 LYS+ QD . . . . . 11 GLY HN . . c34337_6q8l 1 114 1 . . 1 1 12 12 GLY H H . . . 1 1 12 12 GLY HA2 H . . . . . . . 2.93 . . . . . A . 11 GLY H . . A . 11 GLY HA2 . . . 11 GLY HN . . . . . 11 GLY HA1 . . c34337_6q8l 1 115 1 . . 1 1 12 12 GLY H H . . . 1 1 12 12 GLY HA3 H . . . . . . . 2.93 . . . . . A . 11 GLY H . . A . 11 GLY HA3 . . . 11 GLY HN . . . . . 11 GLY HA2 . . c34337_6q8l 1 116 1 OR . 1 1 12 12 GLY H H . . . 1 1 12 12 GLY HA3 H . . . . . . . 2.55 . . . . . A . 11 GLY H . . A . 11 GLY HA3 . . . 11 GLY HN . . . . . 11 GLY QA . . c34337_6q8l 1 116 2 OR . 1 1 12 12 GLY H H . . . 1 1 12 12 GLY HA2 H . . . . . . . 2.55 . . . . . A . 11 GLY H . . A . 11 GLY HA2 . . . 11 GLY HN . . . . . 11 GLY QA . . c34337_6q8l 1 117 1 . . 1 1 12 12 GLY H H . . . 1 1 13 13 TYR H H . . . . . . . 3.14 . . . . . A . 11 GLY H . . A . 12 TYR H . . . 11 GLY HN . . . . . 12 TYR HN . . c34337_6q8l 1 118 1 . . 1 1 13 13 TYR QD H . . . 1 1 12 12 GLY H H . . . . . . . 7.64 . . . . . A . 12 TYR QD . . A . 11 GLY H . . . 12 TYR QD . . . . . 11 GLY HN . . c34337_6q8l 1 119 1 . . 1 1 13 13 TYR H H . . . 1 1 12 12 GLY HA2 H . . . . . . . 3.33 . . . . . A . 12 TYR H . . A . 11 GLY HA2 . . . 12 TYR HN . . . . . 11 GLY HA1 . . c34337_6q8l 1 120 1 . . 1 1 13 13 TYR QD H . . . 1 1 12 12 GLY HA2 H . . . . . . . 7.64 . . . . . A . 12 TYR QD . . A . 11 GLY HA2 . . . 12 TYR QD . . . . . 11 GLY HA1 . . c34337_6q8l 1 121 1 . . 1 1 13 13 TYR H H . . . 1 1 12 12 GLY HA3 H . . . . . . . 3.33 . . . . . A . 12 TYR H . . A . 11 GLY HA3 . . . 12 TYR HN . . . . . 11 GLY HA2 . . c34337_6q8l 1 122 1 . . 1 1 13 13 TYR QD H . . . 1 1 12 12 GLY HA3 H . . . . . . . 7.64 . . . . . A . 12 TYR QD . . A . 11 GLY HA3 . . . 12 TYR QD . . . . . 11 GLY HA2 . . c34337_6q8l 1 123 1 . . 1 1 13 13 TYR HB2 H . . . 1 1 13 13 TYR H H . . . . . . . 2.90 . . . . . A . 12 TYR HB2 . . A . 12 TYR H . . . 12 TYR HB2 . . . . . 12 TYR HN . . c34337_6q8l 1 124 1 . . 1 1 13 13 TYR HB3 H . . . 1 1 13 13 TYR H H . . . . . . . 3.21 . . . . . A . 12 TYR HB3 . . A . 12 TYR H . . . 12 TYR HB3 . . . . . 12 TYR HN . . c34337_6q8l 1 125 1 . . 1 1 13 13 TYR QD H . . . 1 1 13 13 TYR H H . . . . . . . 6.40 . . . . . A . 12 TYR QD . . A . 12 TYR H . . . 12 TYR QD . . . . . 12 TYR HN . . c34337_6q8l 1 126 1 . . 1 1 13 13 TYR QE H . . . 1 1 13 13 TYR H H . . . . . . . 7.63 . . . . . A . 12 TYR QE . . A . 12 TYR H . . . 12 TYR QE . . . . . 12 TYR HN . . c34337_6q8l 1 127 1 . . 1 1 13 13 TYR HB3 H . . . 1 1 13 13 TYR HA H . . . . . . . 2.99 . . . . . A . 12 TYR HB3 . . A . 12 TYR HA . . . 12 TYR HB3 . . . . . 12 TYR HA . . c34337_6q8l 1 128 1 . . 1 1 13 13 TYR QD H . . . 1 1 13 13 TYR HA H . . . . . . . 6.15 . . . . . A . 12 TYR QD . . A . 12 TYR HA . . . 12 TYR QD . . . . . 12 TYR HA . . c34337_6q8l 1 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 'Restraints file 1: ut_pep2.upl' 1 1 1 32 c34337_6q8l 1 2 'peak 700' 2 49 2 59 c34337_6q8l 1 3 'peak 566' 3 49 3 59 c34337_6q8l 1 4 'peak 571' 4 49 4 59 c34337_6q8l 1 5 'peak 566' 5 49 5 59 c34337_6q8l 1 6 'peak 558' 6 49 6 59 c34337_6q8l 1 7 'peak 675' 7 49 7 59 c34337_6q8l 1 8 'peak 676' 8 49 8 59 c34337_6q8l 1 9 'peak 675' 9 49 9 59 c34337_6q8l 1 10 'peak 553' 10 49 10 59 c34337_6q8l 1 11 'peak 126' 11 49 11 59 c34337_6q8l 1 12 'peak 627' 12 49 12 59 c34337_6q8l 1 13 'peak 658' 13 49 13 59 c34337_6q8l 1 14 'peak 497' 14 49 14 59 c34337_6q8l 1 15 'peak 128' 15 49 15 59 c34337_6q8l 1 16 'peak 128' 16 49 16 59 c34337_6q8l 1 17 'peak 80' 17 49 17 59 c34337_6q8l 1 18 'peak 368' 18 49 18 59 c34337_6q8l 1 19 'peak 366' 19 49 19 59 c34337_6q8l 1 20 'peak 366' 20 49 20 59 c34337_6q8l 1 21 'peak 580' 21 49 21 59 c34337_6q8l 1 22 'peak 237' 22 49 22 59 c34337_6q8l 1 23 'peak 214' 23 49 23 59 c34337_6q8l 1 24 'peak 237' 24 49 24 59 c34337_6q8l 1 25 'peak 331' 25 49 25 59 c34337_6q8l 1 26 'peak 575' 26 49 26 59 c34337_6q8l 1 27 'peak 629' 27 49 27 59 c34337_6q8l 1 28 'peak 633' 28 49 28 59 c34337_6q8l 1 29 'peak 649' 29 49 29 59 c34337_6q8l 1 30 'peak 42' 30 49 30 59 c34337_6q8l 1 31 'peak 175' 31 49 31 59 c34337_6q8l 1 32 'peak 59' 32 49 32 59 c34337_6q8l 1 33 'peak 414' 33 49 33 59 c34337_6q8l 1 34 'peak 639' 34 49 34 59 c34337_6q8l 1 35 'peak 698' 35 49 35 59 c34337_6q8l 1 36 'peak 703' 36 49 36 59 c34337_6q8l 1 37 'peak 52' 37 49 37 59 c34337_6q8l 1 38 'peak 636' 38 49 38 59 c34337_6q8l 1 39 'peak 407' 39 49 39 59 c34337_6q8l 1 40 'peak 496' 40 49 40 59 c34337_6q8l 1 41 'peak 311' 41 49 41 59 c34337_6q8l 1 42 'peak 641' 42 49 42 59 c34337_6q8l 1 43 'peak 456' 43 49 43 59 c34337_6q8l 1 44 'peak 650' 44 49 44 59 c34337_6q8l 1 45 'peak 585' 45 49 45 59 c34337_6q8l 1 46 'peak 361' 46 49 46 59 c34337_6q8l 1 47 'peak 361' 47 49 47 59 c34337_6q8l 1 48 'peak 625' 48 49 48 59 c34337_6q8l 1 49 'peak 509' 49 49 49 59 c34337_6q8l 1 50 'peak 586' 50 49 50 59 c34337_6q8l 1 51 'peak 218' 51 49 51 59 c34337_6q8l 1 52 'peak 70' 52 49 52 59 c34337_6q8l 1 53 'peak 643' 53 49 53 59 c34337_6q8l 1 54 'peak 653' 54 49 54 59 c34337_6q8l 1 55 'peak 652' 55 49 55 59 c34337_6q8l 1 56 'peak 648' 56 49 56 59 c34337_6q8l 1 57 'peak 363' 57 49 57 59 c34337_6q8l 1 58 'peak 646' 58 49 58 59 c34337_6q8l 1 59 'peak 652' 59 49 59 59 c34337_6q8l 1 60 'peak 73' 60 49 60 59 c34337_6q8l 1 61 'peak 72' 61 49 61 59 c34337_6q8l 1 62 'peak 73' 62 49 62 59 c34337_6q8l 1 63 'peak 482' 63 49 63 59 c34337_6q8l 1 64 'peak 165' 64 49 64 59 c34337_6q8l 1 65 'peak 489' 65 49 65 59 c34337_6q8l 1 66 'peak 491' 66 49 66 59 c34337_6q8l 1 67 'peak 489' 67 49 67 59 c34337_6q8l 1 68 'peak 239' 68 49 68 59 c34337_6q8l 1 69 'peak 123' 69 49 69 59 c34337_6q8l 1 70 'peak 587' 70 49 70 59 c34337_6q8l 1 71 'peak 521' 71 49 71 59 c34337_6q8l 1 72 'peak 517' 72 49 72 59 c34337_6q8l 1 73 'peak 403' 73 49 73 59 c34337_6q8l 1 74 'peak 349' 74 49 74 59 c34337_6q8l 1 75 'peak 124' 75 49 75 59 c34337_6q8l 1 76 'peak 513' 76 49 76 59 c34337_6q8l 1 77 'peak 157' 77 49 77 59 c34337_6q8l 1 78 'peak 160' 78 49 78 59 c34337_6q8l 1 79 'peak 544' 79 49 79 59 c34337_6q8l 1 80 'peak 296' 80 49 80 59 c34337_6q8l 1 81 'peak 297' 81 49 81 59 c34337_6q8l 1 82 'peak 445' 82 49 82 59 c34337_6q8l 1 83 'peak 129' 83 49 83 59 c34337_6q8l 1 84 'peak 655' 84 49 84 59 c34337_6q8l 1 85 'peak 656' 85 49 85 59 c34337_6q8l 1 86 'peak 657' 86 49 86 59 c34337_6q8l 1 87 'peak 684' 87 49 87 59 c34337_6q8l 1 88 'peak 686' 88 49 88 59 c34337_6q8l 1 89 'peak 130' 89 49 89 59 c34337_6q8l 1 90 'peak 330' 90 49 90 59 c34337_6q8l 1 91 'peak 660' 91 49 91 59 c34337_6q8l 1 92 'peak 131' 92 49 92 59 c34337_6q8l 1 93 'peak 291' 93 49 93 59 c34337_6q8l 1 94 'peak 151' 94 49 94 59 c34337_6q8l 1 95 'peak 291' 95 49 95 59 c34337_6q8l 1 96 'peak 290' 96 49 96 59 c34337_6q8l 1 97 'peak 88' 97 49 97 59 c34337_6q8l 1 98 'peak 90' 98 49 98 59 c34337_6q8l 1 99 'peak 618' 99 49 99 59 c34337_6q8l 1 100 'peak 618' 100 49 100 59 c34337_6q8l 1 101 'peak 359' 101 49 101 59 c34337_6q8l 1 102 'peak 637' 102 49 102 59 c34337_6q8l 1 103 'peak 608' 103 49 103 59 c34337_6q8l 1 104 'peak 607' 104 49 104 59 c34337_6q8l 1 105 'peak 608' 105 49 105 59 c34337_6q8l 1 106 'peak 281' 106 49 106 59 c34337_6q8l 1 107 'peak 609' 107 49 107 59 c34337_6q8l 1 108 'peak 37' 108 49 108 59 c34337_6q8l 1 109 'peak 318' 109 49 109 59 c34337_6q8l 1 110 'peak 604' 110 49 110 59 c34337_6q8l 1 111 'peak 377' 111 49 111 59 c34337_6q8l 1 112 'peak 93' 112 49 112 59 c34337_6q8l 1 113 'peak 91' 113 49 113 59 c34337_6q8l 1 114 'peak 617' 114 49 114 59 c34337_6q8l 1 115 'peak 92' 115 49 115 59 c34337_6q8l 1 116 'peak 10' 116 49 116 59 c34337_6q8l 1 117 'peak 9' 117 49 117 59 c34337_6q8l 1 118 'peak 10' 118 49 118 59 c34337_6q8l 1 119 'peak 168' 119 49 119 59 c34337_6q8l 1 120 'peak 682' 120 49 120 59 c34337_6q8l 1 121 'peak 681' 121 49 121 59 c34337_6q8l 1 122 'peak 12' 122 49 122 59 c34337_6q8l 1 123 'peak 100' 123 49 123 59 c34337_6q8l 1 124 'peak 11' 124 49 124 59 c34337_6q8l 1 125 'peak 101' 125 49 125 59 c34337_6q8l 1 126 'peak 14' 126 49 126 59 c34337_6q8l 1 127 'peak 13' 127 49 127 59 c34337_6q8l 1 128 'peak 181' 128 49 128 59 c34337_6q8l 1 129 'peak 620' 129 49 129 59 c34337_6q8l 1 130 'peak 635' 130 49 130 59 c34337_6q8l 1 131 'peak 180' 131 49 131 59 c34337_6q8l 1 132 'peak 619' 132 49 132 59 c34337_6q8l 1 133 'peak 67' 133 49 133 59 c34337_6q8l 1 134 'peak 444' 134 49 134 59 c34337_6q8l 1 135 'peak 443' 135 49 135 59 c34337_6q8l 1 136 'peak 446' 136 49 136 59 c34337_6q8l 1 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 2 81 1 "Not handling restraint 81, item 1, resonance(s) ' .13.HN2' (nmrStar names) not linked" c34337_6q8l 1 2 2 81 1 "Not handling restraint 81, item 1, resonance(s) ' .13.HN2' (nmrStar names) not linked" c34337_6q8l 1 3 2 120 1 "Not handling restraint 120, item 1, resonance(s) ' .13.HN1' (nmrStar names) not linked" c34337_6q8l 1 4 2 129 1 "Not handling restraint 129, item 1, resonance(s) ' .13.HN1' (nmrStar names) not linked" c34337_6q8l 1 5 2 130 1 "Not handling restraint 130, item 1, resonance(s) ' .13.HN2' (nmrStar names) not linked" c34337_6q8l 1 6 2 133 1 "Not handling restraint 133, item 1, resonance(s) ' .13.HN1' (nmrStar names) not linked" c34337_6q8l 1 7 2 134 1 "Not handling restraint 134, item 1, resonance(s) ' .13.HN1' (nmrStar names) not linked" c34337_6q8l 1 8 2 135 1 "Not handling restraint 135, item 1, resonance(s) ' .13.HN2' (nmrStar names) not linked" c34337_6q8l 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_framecode MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID c34337_6q8l _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment '*HEADER PEPTIDE BINDING PROTEIN 15-DEC-18 6Q8L *TITLE PEPDUCIN UT-PEP2 A BIASED ALLOSTERIC AGONIST OF UROTENSIN-II RECEPTOR *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: ACE-ARG-PRO-LEU-ASP-THR-VAL-GLN-ARG-PRO-LYS-GLY-TYR-NH2; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 4 ORGANISM_TAXID: 9606 *KEYWDS G PROTEIN-COUPLED RECEPTOR, PEPDUCIN, LIPIDATED PEPTIDE, UROTENSIN II *KEYWDS 2 RECEPTOR, ALLOSTERIC MODULATORS, CELLULAR SIGNALING., PEPTIDE *KEYWDS 3 BINDING PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR A.CAROTENUTO,T.A.HOANG,H.NASSOUR,R.D.MARTIN,E.BILLARD,L.MYRIAM, *AUTHOR 2 E.NOVELLINO,J.C.TANNY,A.FOURNIER,T.E.HEBERT,D.CHATENET *REVDAT 1 15-JAN-20 6Q8L 0' save_