data_18570 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18570 _Entry.Title ; Solution structure of the zinc finger AFV1p06 protein from the hyperthermophilic archaeal virus AFV1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-07-05 _Entry.Accession_date 2012-07-05 _Entry.Last_release_date 2013-01-28 _Entry.Original_release_date 2013-01-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . 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.Entry_ID 1 Florence Guilliere . . . 18570 2 Guennadi Sezonov . . . 18570 3 David Prangishvili . . . 18570 4 Muriel Delepierre . . . 18570 5 'J. Inaki' Guijarro . . . 18570 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18570 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Protein . 18570 'Zinc finger' . 18570 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18570 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 271 18570 '15N chemical shifts' 59 18570 '1H chemical shifts' 434 18570 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 . . 2013-01-28 2012-07-05 original author . 18570 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18570 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23326363 _Citation.Full_citation . _Citation.Title 'Solution structure of an archaeal DNA binding protein with an eukaryotic zinc finger fold' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS One' _Citation.Journal_name_full . _Citation.Journal_volume 8 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _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 e52908 _Citation.Page_last e52908 _Citation.Year 2013 _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.Entry_ID _Citation_author.Citation_ID 1 Florence Guilliere . . . 18570 1 2 Chloe Danioux . . . 18570 1 3 Carole Jaubert . . . 18570 1 4 Nicole Desnoues . . . 18570 1 5 Muriel Delepierre . . . 18570 1 6 David Prangishvili . . . 18570 1 7 Guennadi Sezonov . . . 18570 1 8 'J. Inaki' Guijarro . . . 18570 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18570 _Assembly.ID 1 _Assembly.Name 'zinc finger AFV1p06 protein' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'zinc finger AFV1p06 protein' 1 $AFV1p06 A . yes native no no . . . 18570 1 2 'ZINC ION' 2 $entity_ZN B . no native no no . . . 18570 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AFV1p06 _Entity.Sf_category entity _Entity.Sf_framecode AFV1p06 _Entity.Entry_ID 18570 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AFV1p06 _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 ; MIEVSSMERVYQCLRCGLTF RTKKQLIRHLVNTEKVNPLS IDYYYQSFSVSLKDVNKII ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-7 and 51-59 are disordered; only residues 7-51 are included in the structures' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 59 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5437.367 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes EMBL Q70LE5 . . . . . . . . . . . . . . . . 18570 1 2 yes GB YP_003731 . . . . . . . . . . . . . . . . 18570 1 3 no PDB 2LVH . "Solution Structure Of The Zinc Finger Afv1p06 Protein From The Hyperthermophilic Archaeal Virus Afv1" . . . . . 100.00 59 100.00 100.00 6.01e-34 . . . . 18570 1 4 no EMBL CAD98935 . "hypothetical protein [Acidianus filamentous virus 1]" . . . . . 100.00 59 100.00 100.00 6.01e-34 . . . . 18570 1 5 no REF YP_003731 . "hypothetical protein AFV1_ORF59a [Acidianus filamentous virus 1]" . . . . . 100.00 59 100.00 100.00 6.01e-34 . . . . 18570 1 6 no SP Q70LE5 . "RecName: Full=Putative zinc finger protein ORF59a" . . . . . 100.00 59 100.00 100.00 6.01e-34 . . . . 18570 1 stop_ 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 1 MET . 18570 1 2 2 ILE . 18570 1 3 3 GLU . 18570 1 4 4 VAL . 18570 1 5 5 SER . 18570 1 6 6 SER . 18570 1 7 7 MET . 18570 1 8 8 GLU . 18570 1 9 9 ARG . 18570 1 10 10 VAL . 18570 1 11 11 TYR . 18570 1 12 12 GLN . 18570 1 13 13 CYS . 18570 1 14 14 LEU . 18570 1 15 15 ARG . 18570 1 16 16 CYS . 18570 1 17 17 GLY . 18570 1 18 18 LEU . 18570 1 19 19 THR . 18570 1 20 20 PHE . 18570 1 21 21 ARG . 18570 1 22 22 THR . 18570 1 23 23 LYS . 18570 1 24 24 LYS . 18570 1 25 25 GLN . 18570 1 26 26 LEU . 18570 1 27 27 ILE . 18570 1 28 28 ARG . 18570 1 29 29 HIS . 18570 1 30 30 LEU . 18570 1 31 31 VAL . 18570 1 32 32 ASN . 18570 1 33 33 THR . 18570 1 34 34 GLU . 18570 1 35 35 LYS . 18570 1 36 36 VAL . 18570 1 37 37 ASN . 18570 1 38 38 PRO . 18570 1 39 39 LEU . 18570 1 40 40 SER . 18570 1 41 41 ILE . 18570 1 42 42 ASP . 18570 1 43 43 TYR . 18570 1 44 44 TYR . 18570 1 45 45 TYR . 18570 1 46 46 GLN . 18570 1 47 47 SER . 18570 1 48 48 PHE . 18570 1 49 49 SER . 18570 1 50 50 VAL . 18570 1 51 51 SER . 18570 1 52 52 LEU . 18570 1 53 53 LYS . 18570 1 54 54 ASP . 18570 1 55 55 VAL . 18570 1 56 56 ASN . 18570 1 57 57 LYS . 18570 1 58 58 ILE . 18570 1 59 69 ILE . 18570 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 . MET 1 1 18570 1 . ILE 2 2 18570 1 . GLU 3 3 18570 1 . VAL 4 4 18570 1 . SER 5 5 18570 1 . SER 6 6 18570 1 . MET 7 7 18570 1 . GLU 8 8 18570 1 . ARG 9 9 18570 1 . VAL 10 10 18570 1 . TYR 11 11 18570 1 . GLN 12 12 18570 1 . CYS 13 13 18570 1 . LEU 14 14 18570 1 . ARG 15 15 18570 1 . CYS 16 16 18570 1 . GLY 17 17 18570 1 . LEU 18 18 18570 1 . THR 19 19 18570 1 . PHE 20 20 18570 1 . ARG 21 21 18570 1 . THR 22 22 18570 1 . LYS 23 23 18570 1 . LYS 24 24 18570 1 . GLN 25 25 18570 1 . LEU 26 26 18570 1 . ILE 27 27 18570 1 . ARG 28 28 18570 1 . HIS 29 29 18570 1 . LEU 30 30 18570 1 . VAL 31 31 18570 1 . ASN 32 32 18570 1 . THR 33 33 18570 1 . GLU 34 34 18570 1 . LYS 35 35 18570 1 . VAL 36 36 18570 1 . ASN 37 37 18570 1 . PRO 38 38 18570 1 . LEU 39 39 18570 1 . SER 40 40 18570 1 . ILE 41 41 18570 1 . ASP 42 42 18570 1 . TYR 43 43 18570 1 . TYR 44 44 18570 1 . TYR 45 45 18570 1 . GLN 46 46 18570 1 . SER 47 47 18570 1 . PHE 48 48 18570 1 . SER 49 49 18570 1 . VAL 50 50 18570 1 . SER 51 51 18570 1 . LEU 52 52 18570 1 . LYS 53 53 18570 1 . ASP 54 54 18570 1 . VAL 55 55 18570 1 . ASN 56 56 18570 1 . LYS 57 57 18570 1 . ILE 58 58 18570 1 . ILE 59 59 18570 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 18570 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 18570 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 18570 2 ZN 'Three letter code' 18570 2 stop_ 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 1 ZN $chem_comp_ZN 18570 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 18570 2 stop_ save_ #################### # Natural source # #################### 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 18570 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $AFV1p06 . 235266 virus . 'Acidianus Filamentous Virus 1 (AFV1)' 'Acidianus Filamentous Virus 1 (AFV1)' . . Viruses . Gammalipothrixvirus 'Acidianus Filamentous Virus 1 (AFV1)' . . . . . . . . . . . . . . . . ORF59a . . . . 18570 1 stop_ save_ ######################### # Experimental source # ######################### 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 18570 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $AFV1p06 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pET-30a . . . . . . 18570 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 18570 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-04-05 _Chem_comp.Modified_date 2012-04-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _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 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _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 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=1S/Zn/q+2 InChI InChI 1.03 18570 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 18570 ZN [Zn++] SMILES CACTVS 3.341 18570 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 18570 ZN [Zn+2] SMILES ACDLabs 10.04 18570 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 18570 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18570 ZN 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 zinc 'SYSTEMATIC NAME' ACDLabs 10.04 18570 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18570 ZN 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 ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 18570 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18570 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50 mM Na-HEPES 150 mM NaCl 50uM ZnCl2 3 mM DTT 12% D2O pH 7.4' _Sample.Aggregate_sample_number . _Sample.Solvent_system '88% H2O/12% 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 AFV1p06 '[U-98% 13C; U-98% 15N]' . . 1 $AFV1p06 . . 0.8-1 . . mM . . . . 18570 1 2 Na-HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 18570 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 18570 1 4 ZnCl2 'natural abundance' . . . . . . 50 . . uM . . . . 18570 1 5 DTT 'natural abundance' . . . . . . 3 . . mM . . . . 18570 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18570 _Sample_condition_list.ID 1 _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' 200 . mM 18570 1 pH 7.4 . pH 18570 1 pressure 1 . atm 18570 1 temperature 298.15 0.1 K 18570 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18570 _Software.ID 1 _Software.Name VNMRJ _Software.Version 2.3A _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18570 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18570 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18570 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18570 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18570 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18570 _Software.ID 3 _Software.Name NMRView _Software.Version 5.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18570 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18570 3 'data analysis' 18570 3 'peak picking' 18570 3 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 18570 _Software.ID 4 _Software.Name ARIA _Software.Version 2.2 _Software.Details 'A modified version to include zinc coordination was used' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 18570 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Automated NOE assignment' 18570 4 'structure solution' 18570 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18570 _Software.ID 5 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18570 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18570 5 'water refinement' 18570 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 18570 _Software.ID 6 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18570 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Dihedral constraints' 18570 6 stop_ save_ save_Procheck _Software.Sf_category software _Software.Sf_framecode Procheck _Software.Entry_ID 18570 _Software.ID 7 _Software.Name Procheck _Software.Version 3.5.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Tho' . . 18570 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Structure analysis' 18570 7 stop_ save_ save_WhatCheck _Software.Sf_category software _Software.Sf_framecode WhatCheck _Software.Entry_ID 18570 _Software.ID 8 _Software.Name WhatCheck _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Vriend . . 18570 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Structure analysis' 18570 8 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 18570 _Software.ID 9 _Software.Name Molmol _Software.Version 2K.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 18570 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18570 9 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18570 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 18570 _NMR_spectrometer_list.ID 1 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 spectrometer_1 Varian 'NMR System' . 600 . . . 18570 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18570 _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-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18570 1 2 '2D 1H-13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18570 1 3 '2D 1H-13C HSQC aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18570 1 4 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18570 1 5 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18570 1 6 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18570 1 7 '3D C(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18570 1 8 '3D H(CCO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18570 1 9 '3D HNHA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18570 1 10 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18570 1 11 '2D 1H-13C HSQC aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18570 1 12 '2D 1H-13C HSQC aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18570 1 13 '2D (HB)CB(CGCD)HD aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18570 1 14 '2D (HB)CB(CGCDCE)HE aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18570 1 15 '3D 1H-13C NOESY aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18570 1 16 '3D 1H-13C NOESY aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18570 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18570 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18570 _Chem_shift_reference.ID 1 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18570 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18570 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18570 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18570 _Assigned_chem_shift_list.ID 1 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.35 _Assigned_chem_shift_list.Chem_shift_15N_err 0.15 _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-15N HSQC' . . . 18570 1 2 '2D 1H-13C HSQC' . . . 18570 1 4 '3D CBCA(CO)NH' . . . 18570 1 6 '3D HNCO' . . . 18570 1 6 '3D HNCO' . . . 18570 1 7 '3D C(CO)NH' . . . 18570 1 8 '3D H(CCO)NH' . . . 18570 1 9 '3D HNHA' . . . 18570 1 12 '2D 1H-13C HSQC aromatic' . . . 18570 1 13 '2D (HB)CB(CGCD)HD aromatic' . . . 18570 1 14 '2D (HB)CB(CGCDCE)HE aromatic' . . . 18570 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.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 1 1 MET HA H 1 4.524 0.02 . 1 . . . . 1 MET HA . 18570 1 2 . 1 1 1 1 MET HG2 H 1 2.525 0.02 . 2 . . . . 1 MET HG2 . 18570 1 3 . 1 1 1 1 MET HG3 H 1 2.525 0.02 . 2 . . . . 1 MET HG3 . 18570 1 4 . 1 1 1 1 MET HE1 H 1 1.997 0.02 . 1 . . . . 1 MET ME . 18570 1 5 . 1 1 1 1 MET HE2 H 1 1.997 0.02 . 1 . . . . 1 MET ME . 18570 1 6 . 1 1 1 1 MET HE3 H 1 1.997 0.02 . 1 . . . . 1 MET ME . 18570 1 7 . 1 1 1 1 MET C C 13 175.700 0.35 . 1 . . . . 1 MET C . 18570 1 8 . 1 1 1 1 MET CA C 13 54.220 0.35 . 1 . . . . 1 MET CA . 18570 1 9 . 1 1 1 1 MET CB C 13 33.240 0.35 . 1 . . . . 1 MET CB . 18570 1 10 . 1 1 1 1 MET CG C 13 31.833 0.35 . 1 . . . . 1 MET CG . 18570 1 11 . 1 1 1 1 MET CE C 13 17.118 0.35 . 1 . . . . 1 MET CE . 18570 1 12 . 1 1 2 2 ILE H H 1 8.256 0.02 . 1 . . . . 2 ILE H . 18570 1 13 . 1 1 2 2 ILE HA H 1 4.120 0.02 . 1 . . . . 2 ILE HA . 18570 1 14 . 1 1 2 2 ILE HB H 1 1.807 0.02 . 1 . . . . 2 ILE HB . 18570 1 15 . 1 1 2 2 ILE HG12 H 1 1.159 0.02 . 2 . . . . 2 ILE HG12 . 18570 1 16 . 1 1 2 2 ILE HG13 H 1 1.450 0.02 . 2 . . . . 2 ILE HG13 . 18570 1 17 . 1 1 2 2 ILE HG21 H 1 0.905 0.02 . 1 . . . . 2 ILE MG . 18570 1 18 . 1 1 2 2 ILE HG22 H 1 0.905 0.02 . 1 . . . . 2 ILE MG . 18570 1 19 . 1 1 2 2 ILE HG23 H 1 0.905 0.02 . 1 . . . . 2 ILE MG . 18570 1 20 . 1 1 2 2 ILE HD11 H 1 0.837 0.02 . 1 . . . . 2 ILE MD . 18570 1 21 . 1 1 2 2 ILE HD12 H 1 0.837 0.02 . 1 . . . . 2 ILE MD . 18570 1 22 . 1 1 2 2 ILE HD13 H 1 0.837 0.02 . 1 . . . . 2 ILE MD . 18570 1 23 . 1 1 2 2 ILE C C 13 175.800 0.35 . 1 . . . . 2 ILE C . 18570 1 24 . 1 1 2 2 ILE CA C 13 61.140 0.35 . 1 . . . . 2 ILE CA . 18570 1 25 . 1 1 2 2 ILE CB C 13 38.920 0.35 . 1 . . . . 2 ILE CB . 18570 1 26 . 1 1 2 2 ILE CG1 C 13 27.268 0.35 . 1 . . . . 2 ILE CG1 . 18570 1 27 . 1 1 2 2 ILE CG2 C 13 17.485 0.35 . 1 . . . . 2 ILE CG2 . 18570 1 28 . 1 1 2 2 ILE CD1 C 13 12.864 0.35 . 1 . . . . 2 ILE CD1 . 18570 1 29 . 1 1 2 2 ILE N N 15 122.759 0.15 . 1 . . . . 2 ILE N . 18570 1 30 . 1 1 3 3 GLU H H 1 8.539 0.02 . 1 . . . . 3 GLU H . 18570 1 31 . 1 1 3 3 GLU HA H 1 4.340 0.02 . 1 . . . . 3 GLU HA . 18570 1 32 . 1 1 3 3 GLU HB2 H 1 1.921 0.02 . 2 . . . . 3 GLU HB2 . 18570 1 33 . 1 1 3 3 GLU HB3 H 1 2.015 0.02 . 2 . . . . 3 GLU HB3 . 18570 1 34 . 1 1 3 3 GLU HG2 H 1 2.214 0.02 . 2 . . . . 3 GLU HG2 . 18570 1 35 . 1 1 3 3 GLU HG3 H 1 2.214 0.02 . 2 . . . . 3 GLU HG3 . 18570 1 36 . 1 1 3 3 GLU C C 13 176.300 0.35 . 1 . . . . 3 GLU C . 18570 1 37 . 1 1 3 3 GLU CA C 13 56.340 0.35 . 1 . . . . 3 GLU CA . 18570 1 38 . 1 1 3 3 GLU CB C 13 30.490 0.35 . 1 . . . . 3 GLU CB . 18570 1 39 . 1 1 3 3 GLU CG C 13 36.301 0.35 . 1 . . . . 3 GLU CG . 18570 1 40 . 1 1 3 3 GLU N N 15 125.788 0.15 . 1 . . . . 3 GLU N . 18570 1 41 . 1 1 4 4 VAL H H 1 8.278 0.02 . 1 . . . . 4 VAL H . 18570 1 42 . 1 1 4 4 VAL HA H 1 4.123 0.02 . 1 . . . . 4 VAL HA . 18570 1 43 . 1 1 4 4 VAL HB H 1 2.160 0.02 . 1 . . . . 4 VAL HB . 18570 1 44 . 1 1 4 4 VAL HG11 H 1 0.920 0.02 . 2 . . . . 4 VAL MG1 . 18570 1 45 . 1 1 4 4 VAL HG12 H 1 0.920 0.02 . 2 . . . . 4 VAL MG1 . 18570 1 46 . 1 1 4 4 VAL HG13 H 1 0.920 0.02 . 2 . . . . 4 VAL MG1 . 18570 1 47 . 1 1 4 4 VAL HG21 H 1 0.920 0.02 . 2 . . . . 4 VAL MG2 . 18570 1 48 . 1 1 4 4 VAL HG22 H 1 0.920 0.02 . 2 . . . . 4 VAL MG2 . 18570 1 49 . 1 1 4 4 VAL HG23 H 1 0.920 0.02 . 2 . . . . 4 VAL MG2 . 18570 1 50 . 1 1 4 4 VAL C C 13 175.700 0.35 . 1 . . . . 4 VAL C . 18570 1 51 . 1 1 4 4 VAL CA C 13 62.414 0.35 . 1 . . . . 4 VAL CA . 18570 1 52 . 1 1 4 4 VAL CB C 13 32.370 0.35 . 1 . . . . 4 VAL CB . 18570 1 53 . 1 1 4 4 VAL CG1 C 13 21.010 0.35 . 2 . . . . 4 VAL CG1 . 18570 1 54 . 1 1 4 4 VAL CG2 C 13 21.010 0.35 . 2 . . . . 4 VAL CG2 . 18570 1 55 . 1 1 4 4 VAL N N 15 122.096 0.15 . 1 . . . . 4 VAL N . 18570 1 56 . 1 1 5 5 SER H H 1 7.514 0.02 . 1 . . . . 5 SER H . 18570 1 57 . 1 1 5 5 SER N N 15 110.841 0.15 . 1 . . . . 5 SER N . 18570 1 58 . 1 1 7 7 MET HA H 1 4.738 0.02 . 1 . . . A 7 MET HA . 18570 1 59 . 1 1 7 7 MET HB2 H 1 1.960 0.02 . 2 . . . A 7 MET HB2 . 18570 1 60 . 1 1 7 7 MET HB3 H 1 1.960 0.02 . 2 . . . A 7 MET HB3 . 18570 1 61 . 1 1 7 7 MET HG2 H 1 2.569 0.02 . 2 . . . A 7 MET HG2 . 18570 1 62 . 1 1 7 7 MET HG3 H 1 2.434 0.02 . 2 . . . A 7 MET HG3 . 18570 1 63 . 1 1 7 7 MET HE1 H 1 2.066 0.02 . 1 . . . A 7 MET ME . 18570 1 64 . 1 1 7 7 MET HE2 H 1 2.066 0.02 . 1 . . . A 7 MET ME . 18570 1 65 . 1 1 7 7 MET HE3 H 1 2.066 0.02 . 1 . . . A 7 MET ME . 18570 1 66 . 1 1 7 7 MET C C 13 175.670 0.35 . 1 . . . A 7 MET C . 18570 1 67 . 1 1 7 7 MET CA C 13 55.080 0.35 . 1 . . . A 7 MET CA . 18570 1 68 . 1 1 7 7 MET CB C 13 33.900 0.35 . 1 . . . A 7 MET CB . 18570 1 69 . 1 1 7 7 MET CG C 13 32.131 0.35 . 1 . . . A 7 MET CG . 18570 1 70 . 1 1 7 7 MET CE C 13 16.924 0.35 . 1 . . . A 7 MET CE . 18570 1 71 . 1 1 8 8 GLU H H 1 8.592 0.02 . 1 . . . A 8 GLU H . 18570 1 72 . 1 1 8 8 GLU HA H 1 4.430 0.02 . 1 . . . A 8 GLU HA . 18570 1 73 . 1 1 8 8 GLU HB2 H 1 1.998 0.02 . 2 . . . A 8 GLU HB2 . 18570 1 74 . 1 1 8 8 GLU HB3 H 1 1.863 0.02 . 2 . . . A 8 GLU HB3 . 18570 1 75 . 1 1 8 8 GLU HG2 H 1 2.195 0.02 . 2 . . . A 8 GLU HG2 . 18570 1 76 . 1 1 8 8 GLU HG3 H 1 2.195 0.02 . 2 . . . A 8 GLU HG3 . 18570 1 77 . 1 1 8 8 GLU C C 13 175.000 0.35 . 1 . . . A 8 GLU C . 18570 1 78 . 1 1 8 8 GLU CA C 13 55.880 0.35 . 1 . . . A 8 GLU CA . 18570 1 79 . 1 1 8 8 GLU CB C 13 31.670 0.35 . 1 . . . A 8 GLU CB . 18570 1 80 . 1 1 8 8 GLU CG C 13 36.187 0.35 . 1 . . . A 8 GLU CG . 18570 1 81 . 1 1 8 8 GLU N N 15 121.610 0.15 . 1 . . . A 8 GLU N . 18570 1 82 . 1 1 9 9 ARG H H 1 8.334 0.02 . 1 . . . A 9 ARG H . 18570 1 83 . 1 1 9 9 ARG HA H 1 4.660 0.02 . 1 . . . A 9 ARG HA . 18570 1 84 . 1 1 9 9 ARG HB2 H 1 1.525 0.02 . 2 . . . A 9 ARG HB2 . 18570 1 85 . 1 1 9 9 ARG HB3 H 1 1.472 0.02 . 2 . . . A 9 ARG HB3 . 18570 1 86 . 1 1 9 9 ARG HG2 H 1 1.348 0.02 . 2 . . . A 9 ARG HG2 . 18570 1 87 . 1 1 9 9 ARG HG3 H 1 1.190 0.02 . 2 . . . A 9 ARG HG3 . 18570 1 88 . 1 1 9 9 ARG HD2 H 1 2.993 0.02 . 2 . . . A 9 ARG HD2 . 18570 1 89 . 1 1 9 9 ARG HD3 H 1 2.993 0.02 . 2 . . . A 9 ARG HD3 . 18570 1 90 . 1 1 9 9 ARG C C 13 174.800 0.35 . 1 . . . A 9 ARG C . 18570 1 91 . 1 1 9 9 ARG CA C 13 55.360 0.35 . 1 . . . A 9 ARG CA . 18570 1 92 . 1 1 9 9 ARG CB C 13 31.860 0.35 . 1 . . . A 9 ARG CB . 18570 1 93 . 1 1 9 9 ARG CG C 13 27.135 0.35 . 1 . . . A 9 ARG CG . 18570 1 94 . 1 1 9 9 ARG CD C 13 43.072 0.35 . 1 . . . A 9 ARG CD . 18570 1 95 . 1 1 9 9 ARG N N 15 122.834 0.15 . 1 . . . A 9 ARG N . 18570 1 96 . 1 1 10 10 VAL H H 1 8.316 0.02 . 1 . . . A 10 VAL H . 18570 1 97 . 1 1 10 10 VAL HA H 1 4.390 0.02 . 1 . . . A 10 VAL HA . 18570 1 98 . 1 1 10 10 VAL HB H 1 1.600 0.02 . 1 . . . A 10 VAL HB . 18570 1 99 . 1 1 10 10 VAL HG11 H 1 0.720 0.02 . 2 . . . A 10 VAL MG1 . 18570 1 100 . 1 1 10 10 VAL HG12 H 1 0.720 0.02 . 2 . . . A 10 VAL MG1 . 18570 1 101 . 1 1 10 10 VAL HG13 H 1 0.720 0.02 . 2 . . . A 10 VAL MG1 . 18570 1 102 . 1 1 10 10 VAL HG21 H 1 0.477 0.02 . 2 . . . A 10 VAL MG2 . 18570 1 103 . 1 1 10 10 VAL HG22 H 1 0.477 0.02 . 2 . . . A 10 VAL MG2 . 18570 1 104 . 1 1 10 10 VAL HG23 H 1 0.477 0.02 . 2 . . . A 10 VAL MG2 . 18570 1 105 . 1 1 10 10 VAL C C 13 174.000 0.35 . 1 . . . A 10 VAL C . 18570 1 106 . 1 1 10 10 VAL CA C 13 60.210 0.35 . 1 . . . A 10 VAL CA . 18570 1 107 . 1 1 10 10 VAL CB C 13 34.410 0.35 . 1 . . . A 10 VAL CB . 18570 1 108 . 1 1 10 10 VAL CG1 C 13 21.842 0.35 . 2 . . . A 10 VAL CG1 . 18570 1 109 . 1 1 10 10 VAL CG2 C 13 19.975 0.35 . 2 . . . A 10 VAL CG2 . 18570 1 110 . 1 1 10 10 VAL N N 15 118.317 0.15 . 1 . . . A 10 VAL N . 18570 1 111 . 1 1 11 11 TYR H H 1 8.479 0.02 . 1 . . . A 11 TYR H . 18570 1 112 . 1 1 11 11 TYR HA H 1 4.860 0.02 . 1 . . . A 11 TYR HA . 18570 1 113 . 1 1 11 11 TYR HB2 H 1 2.768 0.02 . 2 . . . A 11 TYR HB2 . 18570 1 114 . 1 1 11 11 TYR HB3 H 1 2.694 0.02 . 2 . . . A 11 TYR HB3 . 18570 1 115 . 1 1 11 11 TYR HD1 H 1 6.750 0.02 . 3 . . . A 11 TYR HD1 . 18570 1 116 . 1 1 11 11 TYR HD2 H 1 6.750 0.02 . 3 . . . A 11 TYR HD2 . 18570 1 117 . 1 1 11 11 TYR HE1 H 1 6.720 0.02 . 3 . . . A 11 TYR HE1 . 18570 1 118 . 1 1 11 11 TYR HE2 H 1 6.720 0.02 . 3 . . . A 11 TYR HE2 . 18570 1 119 . 1 1 11 11 TYR C C 13 174.600 0.35 . 1 . . . A 11 TYR C . 18570 1 120 . 1 1 11 11 TYR CA C 13 57.280 0.35 . 1 . . . A 11 TYR CA . 18570 1 121 . 1 1 11 11 TYR CB C 13 42.130 0.35 . 1 . . . A 11 TYR CB . 18570 1 122 . 1 1 11 11 TYR CD1 C 13 132.960 0.35 . 3 . . . A 11 TYR CD1 . 18570 1 123 . 1 1 11 11 TYR CD2 C 13 132.960 0.35 . 3 . . . A 11 TYR CD2 . 18570 1 124 . 1 1 11 11 TYR CE1 C 13 117.870 0.35 . 3 . . . A 11 TYR CE1 . 18570 1 125 . 1 1 11 11 TYR CE2 C 13 117.870 0.35 . 3 . . . A 11 TYR CE2 . 18570 1 126 . 1 1 11 11 TYR N N 15 119.779 0.15 . 1 . . . A 11 TYR N . 18570 1 127 . 1 1 12 12 GLN H H 1 9.458 0.02 . 1 . . . A 12 GLN H . 18570 1 128 . 1 1 12 12 GLN HA H 1 5.330 0.02 . 1 . . . A 12 GLN HA . 18570 1 129 . 1 1 12 12 GLN HB2 H 1 2.100 0.02 . 2 . . . A 12 GLN HB2 . 18570 1 130 . 1 1 12 12 GLN HB3 H 1 1.998 0.02 . 2 . . . A 12 GLN HB3 . 18570 1 131 . 1 1 12 12 GLN HG2 H 1 2.190 0.02 . 2 . . . A 12 GLN HG2 . 18570 1 132 . 1 1 12 12 GLN HG3 H 1 1.680 0.02 . 2 . . . A 12 GLN HG3 . 18570 1 133 . 1 1 12 12 GLN HE21 H 1 6.674 0.02 . 2 . . . A 12 GLN HE21 . 18570 1 134 . 1 1 12 12 GLN HE22 H 1 7.514 0.02 . 2 . . . A 12 GLN HE22 . 18570 1 135 . 1 1 12 12 GLN C C 13 174.800 0.35 . 1 . . . A 12 GLN C . 18570 1 136 . 1 1 12 12 GLN CA C 13 54.160 0.35 . 1 . . . A 12 GLN CA . 18570 1 137 . 1 1 12 12 GLN CB C 13 33.700 0.35 . 1 . . . A 12 GLN CB . 18570 1 138 . 1 1 12 12 GLN CG C 13 33.700 0.35 . 1 . . . A 12 GLN CG . 18570 1 139 . 1 1 12 12 GLN N N 15 123.509 0.15 . 1 . . . A 12 GLN N . 18570 1 140 . 1 1 12 12 GLN NE2 N 15 110.595 0.15 . 1 . . . A 12 GLN NE2 . 18570 1 141 . 1 1 13 13 CYS H H 1 9.009 0.02 . 1 . . . A 13 CYS H . 18570 1 142 . 1 1 13 13 CYS HA H 1 4.730 0.02 . 1 . . . A 13 CYS HA . 18570 1 143 . 1 1 13 13 CYS HB2 H 1 3.440 0.02 . 2 . . . A 13 CYS HB2 . 18570 1 144 . 1 1 13 13 CYS HB3 H 1 2.898 0.02 . 2 . . . A 13 CYS HB3 . 18570 1 145 . 1 1 13 13 CYS C C 13 177.400 0.35 . 1 . . . A 13 CYS C . 18570 1 146 . 1 1 13 13 CYS CA C 13 59.760 0.35 . 1 . . . A 13 CYS CA . 18570 1 147 . 1 1 13 13 CYS CB C 13 30.440 0.35 . 1 . . . A 13 CYS CB . 18570 1 148 . 1 1 13 13 CYS N N 15 127.736 0.15 . 1 . . . A 13 CYS N . 18570 1 149 . 1 1 14 14 LEU H H 1 9.081 0.02 . 1 . . . A 14 LEU H . 18570 1 150 . 1 1 14 14 LEU HA H 1 4.340 0.02 . 1 . . . A 14 LEU HA . 18570 1 151 . 1 1 14 14 LEU HB2 H 1 1.622 0.02 . 2 . . . A 14 LEU HB2 . 18570 1 152 . 1 1 14 14 LEU HB3 H 1 1.622 0.02 . 2 . . . A 14 LEU HB3 . 18570 1 153 . 1 1 14 14 LEU HG H 1 1.445 0.02 . 1 . . . A 14 LEU HG . 18570 1 154 . 1 1 14 14 LEU HD11 H 1 0.790 0.02 . 2 . . . A 14 LEU MD1 . 18570 1 155 . 1 1 14 14 LEU HD12 H 1 0.790 0.02 . 2 . . . A 14 LEU MD1 . 18570 1 156 . 1 1 14 14 LEU HD13 H 1 0.790 0.02 . 2 . . . A 14 LEU MD1 . 18570 1 157 . 1 1 14 14 LEU HD21 H 1 0.734 0.02 . 2 . . . A 14 LEU MD2 . 18570 1 158 . 1 1 14 14 LEU HD22 H 1 0.734 0.02 . 2 . . . A 14 LEU MD2 . 18570 1 159 . 1 1 14 14 LEU HD23 H 1 0.734 0.02 . 2 . . . A 14 LEU MD2 . 18570 1 160 . 1 1 14 14 LEU C C 13 178.000 0.35 . 1 . . . A 14 LEU C . 18570 1 161 . 1 1 14 14 LEU CA C 13 56.580 0.35 . 1 . . . A 14 LEU CA . 18570 1 162 . 1 1 14 14 LEU CB C 13 41.970 0.35 . 1 . . . A 14 LEU CB . 18570 1 163 . 1 1 14 14 LEU CG C 13 27.296 0.35 . 1 . . . A 14 LEU CG . 18570 1 164 . 1 1 14 14 LEU CD1 C 13 22.236 0.35 . 2 . . . A 14 LEU CD1 . 18570 1 165 . 1 1 14 14 LEU CD2 C 13 25.456 0.35 . 2 . . . A 14 LEU CD2 . 18570 1 166 . 1 1 14 14 LEU N N 15 130.302 0.15 . 1 . . . A 14 LEU N . 18570 1 167 . 1 1 15 15 ARG H H 1 9.223 0.02 . 1 . . . A 15 ARG H . 18570 1 168 . 1 1 15 15 ARG HA H 1 4.350 0.02 . 1 . . . A 15 ARG HA . 18570 1 169 . 1 1 15 15 ARG HB2 H 1 1.853 0.02 . 2 . . . A 15 ARG HB2 . 18570 1 170 . 1 1 15 15 ARG HB3 H 1 1.721 0.02 . 2 . . . A 15 ARG HB3 . 18570 1 171 . 1 1 15 15 ARG HG2 H 1 1.633 0.02 . 2 . . . A 15 ARG HG2 . 18570 1 172 . 1 1 15 15 ARG HG3 H 1 1.633 0.02 . 2 . . . A 15 ARG HG3 . 18570 1 173 . 1 1 15 15 ARG HD2 H 1 3.020 0.02 . 2 . . . A 15 ARG HD2 . 18570 1 174 . 1 1 15 15 ARG HD3 H 1 2.928 0.02 . 2 . . . A 15 ARG HD3 . 18570 1 175 . 1 1 15 15 ARG C C 13 177.300 0.35 . 1 . . . A 15 ARG C . 18570 1 176 . 1 1 15 15 ARG CA C 13 58.300 0.35 . 1 . . . A 15 ARG CA . 18570 1 177 . 1 1 15 15 ARG CB C 13 30.630 0.35 . 1 . . . A 15 ARG CB . 18570 1 178 . 1 1 15 15 ARG CG C 13 27.695 0.35 . 1 . . . A 15 ARG CG . 18570 1 179 . 1 1 15 15 ARG CD C 13 42.987 0.35 . 1 . . . A 15 ARG CD . 18570 1 180 . 1 1 15 15 ARG N N 15 120.432 0.15 . 1 . . . A 15 ARG N . 18570 1 181 . 1 1 16 16 CYS H H 1 8.059 0.02 . 1 . . . A 16 CYS H . 18570 1 182 . 1 1 16 16 CYS HA H 1 5.137 0.02 . 1 . . . A 16 CYS HA . 18570 1 183 . 1 1 16 16 CYS HB2 H 1 3.233 0.02 . 2 . . . A 16 CYS HB2 . 18570 1 184 . 1 1 16 16 CYS HB3 H 1 3.035 0.02 . 2 . . . A 16 CYS HB3 . 18570 1 185 . 1 1 16 16 CYS C C 13 176.200 0.35 . 1 . . . A 16 CYS C . 18570 1 186 . 1 1 16 16 CYS CA C 13 58.420 0.35 . 1 . . . A 16 CYS CA . 18570 1 187 . 1 1 16 16 CYS CB C 13 31.880 0.35 . 1 . . . A 16 CYS CB . 18570 1 188 . 1 1 16 16 CYS N N 15 115.344 0.15 . 1 . . . A 16 CYS N . 18570 1 189 . 1 1 17 17 GLY H H 1 8.071 0.02 . 1 . . . A 17 GLY H . 18570 1 190 . 1 1 17 17 GLY HA2 H 1 4.320 0.02 . 2 . . . A 17 GLY HA2 . 18570 1 191 . 1 1 17 17 GLY HA3 H 1 3.816 0.02 . 2 . . . A 17 GLY HA3 . 18570 1 192 . 1 1 17 17 GLY C C 13 174.400 0.35 . 1 . . . A 17 GLY C . 18570 1 193 . 1 1 17 17 GLY CA C 13 46.200 0.35 . 1 . . . A 17 GLY CA . 18570 1 194 . 1 1 17 17 GLY N N 15 113.652 0.15 . 1 . . . A 17 GLY N . 18570 1 195 . 1 1 18 18 LEU H H 1 8.434 0.02 . 1 . . . A 18 LEU H . 18570 1 196 . 1 1 18 18 LEU HA H 1 4.090 0.02 . 1 . . . A 18 LEU HA . 18570 1 197 . 1 1 18 18 LEU HB2 H 1 1.388 0.02 . 2 . . . A 18 LEU HB2 . 18570 1 198 . 1 1 18 18 LEU HB3 H 1 0.912 0.02 . 2 . . . A 18 LEU HB3 . 18570 1 199 . 1 1 18 18 LEU HG H 1 1.723 0.02 . 1 . . . A 18 LEU HG . 18570 1 200 . 1 1 18 18 LEU HD11 H 1 0.771 0.02 . 2 . . . A 18 LEU MD1 . 18570 1 201 . 1 1 18 18 LEU HD12 H 1 0.771 0.02 . 2 . . . A 18 LEU MD1 . 18570 1 202 . 1 1 18 18 LEU HD13 H 1 0.771 0.02 . 2 . . . A 18 LEU MD1 . 18570 1 203 . 1 1 18 18 LEU HD21 H 1 0.827 0.02 . 2 . . . A 18 LEU MD2 . 18570 1 204 . 1 1 18 18 LEU HD22 H 1 0.827 0.02 . 2 . . . A 18 LEU MD2 . 18570 1 205 . 1 1 18 18 LEU HD23 H 1 0.827 0.02 . 2 . . . A 18 LEU MD2 . 18570 1 206 . 1 1 18 18 LEU C C 13 175.500 0.35 . 1 . . . A 18 LEU C . 18570 1 207 . 1 1 18 18 LEU CA C 13 56.540 0.35 . 1 . . . A 18 LEU CA . 18570 1 208 . 1 1 18 18 LEU CB C 13 43.000 0.35 . 1 . . . A 18 LEU CB . 18570 1 209 . 1 1 18 18 LEU CG C 13 27.097 0.35 . 1 . . . A 18 LEU CG . 18570 1 210 . 1 1 18 18 LEU CD1 C 13 23.136 0.35 . 2 . . . A 18 LEU CD1 . 18570 1 211 . 1 1 18 18 LEU CD2 C 13 25.060 0.35 . 2 . . . A 18 LEU CD2 . 18570 1 212 . 1 1 18 18 LEU N N 15 124.768 0.15 . 1 . . . A 18 LEU N . 18570 1 213 . 1 1 19 19 THR H H 1 7.496 0.02 . 1 . . . A 19 THR H . 18570 1 214 . 1 1 19 19 THR HA H 1 5.210 0.02 . 1 . . . A 19 THR HA . 18570 1 215 . 1 1 19 19 THR HB H 1 3.884 0.02 . 1 . . . A 19 THR HB . 18570 1 216 . 1 1 19 19 THR HG21 H 1 1.045 0.02 . 1 . . . A 19 THR MG . 18570 1 217 . 1 1 19 19 THR HG22 H 1 1.045 0.02 . 1 . . . A 19 THR MG . 18570 1 218 . 1 1 19 19 THR HG23 H 1 1.045 0.02 . 1 . . . A 19 THR MG . 18570 1 219 . 1 1 19 19 THR C C 13 173.200 0.35 . 1 . . . A 19 THR C . 18570 1 220 . 1 1 19 19 THR CA C 13 59.710 0.35 . 1 . . . A 19 THR CA . 18570 1 221 . 1 1 19 19 THR CB C 13 71.170 0.35 . 1 . . . A 19 THR CB . 18570 1 222 . 1 1 19 19 THR CG2 C 13 21.718 0.35 . 1 . . . A 19 THR CG2 . 18570 1 223 . 1 1 19 19 THR N N 15 110.199 0.15 . 1 . . . A 19 THR N . 18570 1 224 . 1 1 20 20 PHE H H 1 9.088 0.02 . 1 . . . A 20 PHE H . 18570 1 225 . 1 1 20 20 PHE HA H 1 4.760 0.02 . 1 . . . A 20 PHE HA . 18570 1 226 . 1 1 20 20 PHE HB2 H 1 3.267 0.02 . 2 . . . A 20 PHE HB2 . 18570 1 227 . 1 1 20 20 PHE HB3 H 1 2.601 0.02 . 2 . . . A 20 PHE HB3 . 18570 1 228 . 1 1 20 20 PHE HD1 H 1 7.083 0.02 . 3 . . . A 20 PHE HD1 . 18570 1 229 . 1 1 20 20 PHE HD2 H 1 7.083 0.02 . 3 . . . A 20 PHE HD2 . 18570 1 230 . 1 1 20 20 PHE HE1 H 1 6.840 0.02 . 3 . . . A 20 PHE HE1 . 18570 1 231 . 1 1 20 20 PHE HE2 H 1 6.840 0.02 . 3 . . . A 20 PHE HE2 . 18570 1 232 . 1 1 20 20 PHE C C 13 179.000 0.35 . 1 . . . A 20 PHE C . 18570 1 233 . 1 1 20 20 PHE CA C 13 56.780 0.35 . 1 . . . A 20 PHE CA . 18570 1 234 . 1 1 20 20 PHE CB C 13 43.950 0.35 . 1 . . . A 20 PHE CB . 18570 1 235 . 1 1 20 20 PHE CD1 C 13 132.100 0.35 . 3 . . . A 20 PHE CD1 . 18570 1 236 . 1 1 20 20 PHE CD2 C 13 132.100 0.35 . 3 . . . A 20 PHE CD2 . 18570 1 237 . 1 1 20 20 PHE CE1 C 13 130.660 0.35 . 3 . . . A 20 PHE CE1 . 18570 1 238 . 1 1 20 20 PHE CE2 C 13 130.660 0.35 . 3 . . . A 20 PHE CE2 . 18570 1 239 . 1 1 20 20 PHE N N 15 118.318 0.15 . 1 . . . A 20 PHE N . 18570 1 240 . 1 1 21 21 ARG H H 1 7.500 0.02 . 1 . . . A 21 ARG H . 18570 1 241 . 1 1 21 21 ARG HA H 1 4.534 0.02 . 1 . . . A 21 ARG HA . 18570 1 242 . 1 1 21 21 ARG HB2 H 1 2.145 0.02 . 2 . . . A 21 ARG HB2 . 18570 1 243 . 1 1 21 21 ARG HB3 H 1 1.944 0.02 . 2 . . . A 21 ARG HB3 . 18570 1 244 . 1 1 21 21 ARG HG2 H 1 1.831 0.02 . 2 . . . A 21 ARG HG2 . 18570 1 245 . 1 1 21 21 ARG HG3 H 1 1.707 0.02 . 2 . . . A 21 ARG HG3 . 18570 1 246 . 1 1 21 21 ARG HD2 H 1 3.238 0.02 . 2 . . . A 21 ARG HD2 . 18570 1 247 . 1 1 21 21 ARG HD3 H 1 3.238 0.02 . 2 . . . A 21 ARG HD3 . 18570 1 248 . 1 1 21 21 ARG C C 13 176.136 0.35 . 1 . . . A 21 ARG C . 18570 1 249 . 1 1 21 21 ARG CA C 13 57.328 0.35 . 1 . . . A 21 ARG CA . 18570 1 250 . 1 1 21 21 ARG CB C 13 31.183 0.35 . 1 . . . A 21 ARG CB . 18570 1 251 . 1 1 21 21 ARG CG C 13 27.944 0.35 . 1 . . . A 21 ARG CG . 18570 1 252 . 1 1 21 21 ARG CD C 13 42.880 0.35 . 1 . . . A 21 ARG CD . 18570 1 253 . 1 1 21 21 ARG N N 15 110.600 0.15 . 1 . . . A 21 ARG N . 18570 1 254 . 1 1 22 22 THR H H 1 7.423 0.02 . 1 . . . A 22 THR H . 18570 1 255 . 1 1 22 22 THR HA H 1 4.882 0.02 . 1 . . . A 22 THR HA . 18570 1 256 . 1 1 22 22 THR HB H 1 4.468 0.02 . 1 . . . A 22 THR HB . 18570 1 257 . 1 1 22 22 THR HG21 H 1 1.235 0.02 . 1 . . . A 22 THR MG . 18570 1 258 . 1 1 22 22 THR HG22 H 1 1.235 0.02 . 1 . . . A 22 THR MG . 18570 1 259 . 1 1 22 22 THR HG23 H 1 1.235 0.02 . 1 . . . A 22 THR MG . 18570 1 260 . 1 1 22 22 THR CA C 13 58.510 0.35 . 1 . . . A 22 THR CA . 18570 1 261 . 1 1 22 22 THR CB C 13 72.344 0.35 . 1 . . . A 22 THR CB . 18570 1 262 . 1 1 22 22 THR CG2 C 13 21.784 0.35 . 1 . . . A 22 THR CG2 . 18570 1 263 . 1 1 22 22 THR N N 15 103.954 0.15 . 1 . . . A 22 THR N . 18570 1 264 . 1 1 23 23 LYS HA H 1 2.856 0.02 . 1 . . . A 23 LYS HA . 18570 1 265 . 1 1 23 23 LYS HB2 H 1 1.488 0.02 . 2 . . . A 23 LYS HB2 . 18570 1 266 . 1 1 23 23 LYS HB3 H 1 1.122 0.02 . 2 . . . A 23 LYS HB3 . 18570 1 267 . 1 1 23 23 LYS HG2 H 1 1.005 0.02 . 2 . . . A 23 LYS HG2 . 18570 1 268 . 1 1 23 23 LYS HG3 H 1 0.560 0.02 . 2 . . . A 23 LYS HG3 . 18570 1 269 . 1 1 23 23 LYS HD2 H 1 1.328 0.02 . 2 . . . A 23 LYS HD2 . 18570 1 270 . 1 1 23 23 LYS HD3 H 1 1.328 0.02 . 2 . . . A 23 LYS HD3 . 18570 1 271 . 1 1 23 23 LYS HE2 H 1 2.527 0.02 . 2 . . . A 23 LYS HE2 . 18570 1 272 . 1 1 23 23 LYS HE3 H 1 2.527 0.02 . 2 . . . A 23 LYS HE3 . 18570 1 273 . 1 1 23 23 LYS C C 13 178.040 0.35 . 1 . . . A 23 LYS C . 18570 1 274 . 1 1 23 23 LYS CA C 13 58.530 0.35 . 1 . . . A 23 LYS CA . 18570 1 275 . 1 1 23 23 LYS CB C 13 31.580 0.35 . 1 . . . A 23 LYS CB . 18570 1 276 . 1 1 23 23 LYS CG C 13 25.276 0.35 . 1 . . . A 23 LYS CG . 18570 1 277 . 1 1 23 23 LYS CD C 13 29.007 0.35 . 1 . . . A 23 LYS CD . 18570 1 278 . 1 1 23 23 LYS CE C 13 41.682 0.35 . 1 . . . A 23 LYS CE . 18570 1 279 . 1 1 24 24 LYS H H 1 8.199 0.02 . 1 . . . A 24 LYS H . 18570 1 280 . 1 1 24 24 LYS HA H 1 3.724 0.02 . 1 . . . A 24 LYS HA . 18570 1 281 . 1 1 24 24 LYS HB2 H 1 1.751 0.02 . 2 . . . A 24 LYS HB2 . 18570 1 282 . 1 1 24 24 LYS HB3 H 1 1.643 0.02 . 2 . . . A 24 LYS HB3 . 18570 1 283 . 1 1 24 24 LYS HG2 H 1 1.409 0.02 . 2 . . . A 24 LYS HG2 . 18570 1 284 . 1 1 24 24 LYS HG3 H 1 1.259 0.02 . 2 . . . A 24 LYS HG3 . 18570 1 285 . 1 1 24 24 LYS HD2 H 1 1.616 0.02 . 2 . . . A 24 LYS HD2 . 18570 1 286 . 1 1 24 24 LYS HD3 H 1 1.428 0.02 . 2 . . . A 24 LYS HD3 . 18570 1 287 . 1 1 24 24 LYS C C 13 179.100 0.35 . 1 . . . A 24 LYS C . 18570 1 288 . 1 1 24 24 LYS CA C 13 60.010 0.35 . 1 . . . A 24 LYS CA . 18570 1 289 . 1 1 24 24 LYS CB C 13 32.420 0.35 . 1 . . . A 24 LYS CB . 18570 1 290 . 1 1 24 24 LYS CG C 13 25.096 0.35 . 1 . . . A 24 LYS CG . 18570 1 291 . 1 1 24 24 LYS CD C 13 29.395 0.35 . 1 . . . A 24 LYS CD . 18570 1 292 . 1 1 24 24 LYS N N 15 117.666 0.15 . 1 . . . A 24 LYS N . 18570 1 293 . 1 1 25 25 GLN H H 1 7.389 0.02 . 1 . . . A 25 GLN H . 18570 1 294 . 1 1 25 25 GLN HA H 1 3.850 0.02 . 1 . . . A 25 GLN HA . 18570 1 295 . 1 1 25 25 GLN HB2 H 1 2.184 0.02 . 2 . . . A 25 GLN HB2 . 18570 1 296 . 1 1 25 25 GLN HB3 H 1 2.113 0.02 . 2 . . . A 25 GLN HB3 . 18570 1 297 . 1 1 25 25 GLN HG2 H 1 2.419 0.02 . 2 . . . A 25 GLN HG2 . 18570 1 298 . 1 1 25 25 GLN HG3 H 1 2.419 0.02 . 2 . . . A 25 GLN HG3 . 18570 1 299 . 1 1 25 25 GLN C C 13 178.300 0.35 . 1 . . . A 25 GLN C . 18570 1 300 . 1 1 25 25 GLN CA C 13 58.430 0.35 . 1 . . . A 25 GLN CA . 18570 1 301 . 1 1 25 25 GLN CB C 13 29.270 0.35 . 1 . . . A 25 GLN CB . 18570 1 302 . 1 1 25 25 GLN CG C 13 34.527 0.35 . 1 . . . A 25 GLN CG . 18570 1 303 . 1 1 25 25 GLN N N 15 117.106 0.15 . 1 . . . A 25 GLN N . 18570 1 304 . 1 1 26 26 LEU H H 1 7.065 0.02 . 1 . . . A 26 LEU H . 18570 1 305 . 1 1 26 26 LEU HA H 1 2.820 0.02 . 1 . . . A 26 LEU HA . 18570 1 306 . 1 1 26 26 LEU HB2 H 1 1.702 0.02 . 2 . . . A 26 LEU HB2 . 18570 1 307 . 1 1 26 26 LEU HB3 H 1 1.162 0.02 . 2 . . . A 26 LEU HB3 . 18570 1 308 . 1 1 26 26 LEU HG H 1 1.160 0.02 . 1 . . . A 26 LEU HG . 18570 1 309 . 1 1 26 26 LEU HD11 H 1 0.666 0.02 . 2 . . . A 26 LEU MD1 . 18570 1 310 . 1 1 26 26 LEU HD12 H 1 0.666 0.02 . 2 . . . A 26 LEU MD1 . 18570 1 311 . 1 1 26 26 LEU HD13 H 1 0.666 0.02 . 2 . . . A 26 LEU MD1 . 18570 1 312 . 1 1 26 26 LEU HD21 H 1 0.331 0.02 . 2 . . . A 26 LEU MD2 . 18570 1 313 . 1 1 26 26 LEU HD22 H 1 0.331 0.02 . 2 . . . A 26 LEU MD2 . 18570 1 314 . 1 1 26 26 LEU HD23 H 1 0.331 0.02 . 2 . . . A 26 LEU MD2 . 18570 1 315 . 1 1 26 26 LEU C C 13 177.900 0.35 . 1 . . . A 26 LEU C . 18570 1 316 . 1 1 26 26 LEU CA C 13 57.480 0.35 . 1 . . . A 26 LEU CA . 18570 1 317 . 1 1 26 26 LEU CB C 13 40.590 0.35 . 1 . . . A 26 LEU CB . 18570 1 318 . 1 1 26 26 LEU CG C 13 26.987 0.35 . 1 . . . A 26 LEU CG . 18570 1 319 . 1 1 26 26 LEU CD1 C 13 22.719 0.35 . 2 . . . A 26 LEU CD1 . 18570 1 320 . 1 1 26 26 LEU CD2 C 13 24.731 0.35 . 2 . . . A 26 LEU CD2 . 18570 1 321 . 1 1 26 26 LEU N N 15 121.624 0.15 . 1 . . . A 26 LEU N . 18570 1 322 . 1 1 27 27 ILE H H 1 8.572 0.02 . 1 . . . A 27 ILE H . 18570 1 323 . 1 1 27 27 ILE HA H 1 3.200 0.02 . 1 . . . A 27 ILE HA . 18570 1 324 . 1 1 27 27 ILE HB H 1 1.661 0.02 . 1 . . . A 27 ILE HB . 18570 1 325 . 1 1 27 27 ILE HG12 H 1 0.813 0.02 . 2 . . . A 27 ILE HG12 . 18570 1 326 . 1 1 27 27 ILE HG13 H 1 1.428 0.02 . 2 . . . A 27 ILE HG13 . 18570 1 327 . 1 1 27 27 ILE HG21 H 1 0.793 0.02 . 1 . . . A 27 ILE MG . 18570 1 328 . 1 1 27 27 ILE HG22 H 1 0.793 0.02 . 1 . . . A 27 ILE MG . 18570 1 329 . 1 1 27 27 ILE HG23 H 1 0.793 0.02 . 1 . . . A 27 ILE MG . 18570 1 330 . 1 1 27 27 ILE HD11 H 1 0.599 0.02 . 1 . . . A 27 ILE MD . 18570 1 331 . 1 1 27 27 ILE HD12 H 1 0.599 0.02 . 1 . . . A 27 ILE MD . 18570 1 332 . 1 1 27 27 ILE HD13 H 1 0.599 0.02 . 1 . . . A 27 ILE MD . 18570 1 333 . 1 1 27 27 ILE C C 13 177.000 0.35 . 1 . . . A 27 ILE C . 18570 1 334 . 1 1 27 27 ILE CA C 13 66.160 0.35 . 1 . . . A 27 ILE CA . 18570 1 335 . 1 1 27 27 ILE CB C 13 37.270 0.35 . 1 . . . A 27 ILE CB . 18570 1 336 . 1 1 27 27 ILE CG1 C 13 29.533 0.35 . 1 . . . A 27 ILE CG1 . 18570 1 337 . 1 1 27 27 ILE CG2 C 13 17.101 0.35 . 1 . . . A 27 ILE CG2 . 18570 1 338 . 1 1 27 27 ILE CD1 C 13 13.014 0.35 . 1 . . . A 27 ILE CD1 . 18570 1 339 . 1 1 27 27 ILE N N 15 120.094 0.15 . 1 . . . A 27 ILE N . 18570 1 340 . 1 1 28 28 ARG H H 1 7.479 0.02 . 1 . . . A 28 ARG H . 18570 1 341 . 1 1 28 28 ARG HA H 1 3.880 0.02 . 1 . . . A 28 ARG HA . 18570 1 342 . 1 1 28 28 ARG HB2 H 1 1.786 0.02 . 2 . . . A 28 ARG HB2 . 18570 1 343 . 1 1 28 28 ARG HB3 H 1 1.786 0.02 . 2 . . . A 28 ARG HB3 . 18570 1 344 . 1 1 28 28 ARG HG2 H 1 1.673 0.02 . 2 . . . A 28 ARG HG2 . 18570 1 345 . 1 1 28 28 ARG HG3 H 1 1.594 0.02 . 2 . . . A 28 ARG HG3 . 18570 1 346 . 1 1 28 28 ARG HD2 H 1 3.149 0.02 . 2 . . . A 28 ARG HD2 . 18570 1 347 . 1 1 28 28 ARG HD3 H 1 3.149 0.02 . 2 . . . A 28 ARG HD3 . 18570 1 348 . 1 1 28 28 ARG C C 13 178.300 0.35 . 1 . . . A 28 ARG C . 18570 1 349 . 1 1 28 28 ARG CA C 13 59.670 0.35 . 1 . . . A 28 ARG CA . 18570 1 350 . 1 1 28 28 ARG CB C 13 29.780 0.35 . 1 . . . A 28 ARG CB . 18570 1 351 . 1 1 28 28 ARG CG C 13 27.377 0.35 . 1 . . . A 28 ARG CG . 18570 1 352 . 1 1 28 28 ARG CD C 13 43.468 0.35 . 1 . . . A 28 ARG CD . 18570 1 353 . 1 1 28 28 ARG N N 15 118.251 0.15 . 1 . . . A 28 ARG N . 18570 1 354 . 1 1 29 29 HIS H H 1 7.454 0.02 . 1 . . . A 29 HIS H . 18570 1 355 . 1 1 29 29 HIS HA H 1 4.310 0.02 . 1 . . . A 29 HIS HA . 18570 1 356 . 1 1 29 29 HIS HB2 H 1 3.119 0.02 . 2 . . . A 29 HIS HB2 . 18570 1 357 . 1 1 29 29 HIS HB3 H 1 2.834 0.02 . 2 . . . A 29 HIS HB3 . 18570 1 358 . 1 1 29 29 HIS HD2 H 1 6.840 0.02 . 1 . . . A 29 HIS HD2 . 18570 1 359 . 1 1 29 29 HIS HE1 H 1 8.240 0.02 . 1 . . . A 29 HIS HE1 . 18570 1 360 . 1 1 29 29 HIS C C 13 178.000 0.35 . 1 . . . A 29 HIS C . 18570 1 361 . 1 1 29 29 HIS CA C 13 59.760 0.35 . 1 . . . A 29 HIS CA . 18570 1 362 . 1 1 29 29 HIS CB C 13 28.490 0.35 . 1 . . . A 29 HIS CB . 18570 1 363 . 1 1 29 29 HIS CD2 C 13 126.950 0.35 . 1 . . . A 29 HIS CD2 . 18570 1 364 . 1 1 29 29 HIS CE1 C 13 139.910 0.35 . 1 . . . A 29 HIS CE1 . 18570 1 365 . 1 1 29 29 HIS N N 15 117.415 0.15 . 1 . . . A 29 HIS N . 18570 1 366 . 1 1 30 30 LEU H H 1 8.981 0.02 . 1 . . . A 30 LEU H . 18570 1 367 . 1 1 30 30 LEU HA H 1 3.700 0.02 . 1 . . . A 30 LEU HA . 18570 1 368 . 1 1 30 30 LEU HB2 H 1 1.961 0.02 . 2 . . . A 30 LEU HB2 . 18570 1 369 . 1 1 30 30 LEU HB3 H 1 1.097 0.02 . 2 . . . A 30 LEU HB3 . 18570 1 370 . 1 1 30 30 LEU HG H 1 0.928 0.02 . 1 . . . A 30 LEU HG . 18570 1 371 . 1 1 30 30 LEU HD11 H 1 1.185 0.02 . 2 . . . A 30 LEU MD1 . 18570 1 372 . 1 1 30 30 LEU HD12 H 1 1.185 0.02 . 2 . . . A 30 LEU MD1 . 18570 1 373 . 1 1 30 30 LEU HD13 H 1 1.185 0.02 . 2 . . . A 30 LEU MD1 . 18570 1 374 . 1 1 30 30 LEU HD21 H 1 1.185 0.02 . 2 . . . A 30 LEU MD2 . 18570 1 375 . 1 1 30 30 LEU HD22 H 1 1.185 0.02 . 2 . . . A 30 LEU MD2 . 18570 1 376 . 1 1 30 30 LEU HD23 H 1 1.185 0.02 . 2 . . . A 30 LEU MD2 . 18570 1 377 . 1 1 30 30 LEU C C 13 177.700 0.35 . 1 . . . A 30 LEU C . 18570 1 378 . 1 1 30 30 LEU CA C 13 57.980 0.35 . 1 . . . A 30 LEU CA . 18570 1 379 . 1 1 30 30 LEU CB C 13 41.980 0.35 . 1 . . . A 30 LEU CB . 18570 1 380 . 1 1 30 30 LEU CG C 13 28.180 0.35 . 1 . . . A 30 LEU CG . 18570 1 381 . 1 1 30 30 LEU CD1 C 13 25.144 0.35 . 2 . . . A 30 LEU CD1 . 18570 1 382 . 1 1 30 30 LEU CD2 C 13 25.144 0.35 . 2 . . . A 30 LEU CD2 . 18570 1 383 . 1 1 30 30 LEU N N 15 121.532 0.15 . 1 . . . A 30 LEU N . 18570 1 384 . 1 1 31 31 VAL H H 1 8.567 0.02 . 1 . . . A 31 VAL H . 18570 1 385 . 1 1 31 31 VAL HA H 1 3.900 0.02 . 1 . . . A 31 VAL HA . 18570 1 386 . 1 1 31 31 VAL HB H 1 1.929 0.02 . 1 . . . A 31 VAL HB . 18570 1 387 . 1 1 31 31 VAL HG11 H 1 0.908 0.02 . 2 . . . A 31 VAL MG1 . 18570 1 388 . 1 1 31 31 VAL HG12 H 1 0.908 0.02 . 2 . . . A 31 VAL MG1 . 18570 1 389 . 1 1 31 31 VAL HG13 H 1 0.908 0.02 . 2 . . . A 31 VAL MG1 . 18570 1 390 . 1 1 31 31 VAL HG21 H 1 0.850 0.02 . 2 . . . A 31 VAL MG2 . 18570 1 391 . 1 1 31 31 VAL HG22 H 1 0.850 0.02 . 2 . . . A 31 VAL MG2 . 18570 1 392 . 1 1 31 31 VAL HG23 H 1 0.850 0.02 . 2 . . . A 31 VAL MG2 . 18570 1 393 . 1 1 31 31 VAL C C 13 178.200 0.35 . 1 . . . A 31 VAL C . 18570 1 394 . 1 1 31 31 VAL CA C 13 65.490 0.35 . 1 . . . A 31 VAL CA . 18570 1 395 . 1 1 31 31 VAL CB C 13 32.560 0.35 . 1 . . . A 31 VAL CB . 18570 1 396 . 1 1 31 31 VAL CG1 C 13 21.896 0.35 . 2 . . . A 31 VAL CG1 . 18570 1 397 . 1 1 31 31 VAL CG2 C 13 20.810 0.35 . 2 . . . A 31 VAL CG2 . 18570 1 398 . 1 1 31 31 VAL N N 15 116.463 0.15 . 1 . . . A 31 VAL N . 18570 1 399 . 1 1 32 32 ASN H H 1 8.349 0.02 . 1 . . . A 32 ASN H . 18570 1 400 . 1 1 32 32 ASN HA H 1 4.620 0.02 . 1 . . . A 32 ASN HA . 18570 1 401 . 1 1 32 32 ASN HB2 H 1 2.976 0.02 . 2 . . . A 32 ASN HB2 . 18570 1 402 . 1 1 32 32 ASN HB3 H 1 2.721 0.02 . 2 . . . A 32 ASN HB3 . 18570 1 403 . 1 1 32 32 ASN HD21 H 1 7.502 0.02 . 2 . . . A 32 ASN HD21 . 18570 1 404 . 1 1 32 32 ASN HD22 H 1 7.002 0.02 . 2 . . . A 32 ASN HD22 . 18570 1 405 . 1 1 32 32 ASN C C 13 176.200 0.35 . 1 . . . A 32 ASN C . 18570 1 406 . 1 1 32 32 ASN CA C 13 55.630 0.35 . 1 . . . A 32 ASN CA . 18570 1 407 . 1 1 32 32 ASN CB C 13 38.950 0.35 . 1 . . . A 32 ASN CB . 18570 1 408 . 1 1 32 32 ASN N N 15 115.686 0.15 . 1 . . . A 32 ASN N . 18570 1 409 . 1 1 32 32 ASN ND2 N 15 111.950 0.15 . 1 . . . A 32 ASN ND2 . 18570 1 410 . 1 1 33 33 THR H H 1 7.802 0.02 . 1 . . . A 33 THR H . 18570 1 411 . 1 1 33 33 THR HA H 1 4.290 0.02 . 1 . . . A 33 THR HA . 18570 1 412 . 1 1 33 33 THR HB H 1 3.815 0.02 . 1 . . . A 33 THR HB . 18570 1 413 . 1 1 33 33 THR HG21 H 1 1.106 0.02 . 1 . . . A 33 THR MG . 18570 1 414 . 1 1 33 33 THR HG22 H 1 1.106 0.02 . 1 . . . A 33 THR MG . 18570 1 415 . 1 1 33 33 THR HG23 H 1 1.106 0.02 . 1 . . . A 33 THR MG . 18570 1 416 . 1 1 33 33 THR C C 13 175.300 0.35 . 1 . . . A 33 THR C . 18570 1 417 . 1 1 33 33 THR CA C 13 65.440 0.35 . 1 . . . A 33 THR CA . 18570 1 418 . 1 1 33 33 THR CB C 13 68.250 0.35 . 1 . . . A 33 THR CB . 18570 1 419 . 1 1 33 33 THR CG2 C 13 22.180 0.35 . 1 . . . A 33 THR CG2 . 18570 1 420 . 1 1 33 33 THR N N 15 115.630 0.15 . 1 . . . A 33 THR N . 18570 1 421 . 1 1 34 34 GLU H H 1 7.482 0.02 . 1 . . . A 34 GLU H . 18570 1 422 . 1 1 34 34 GLU HA H 1 4.550 0.02 . 1 . . . A 34 GLU HA . 18570 1 423 . 1 1 34 34 GLU HB2 H 1 1.905 0.02 . 2 . . . A 34 GLU HB2 . 18570 1 424 . 1 1 34 34 GLU HB3 H 1 2.351 0.02 . 2 . . . A 34 GLU HB3 . 18570 1 425 . 1 1 34 34 GLU HG2 H 1 2.414 0.02 . 2 . . . A 34 GLU HG2 . 18570 1 426 . 1 1 34 34 GLU HG3 H 1 1.620 0.02 . 2 . . . A 34 GLU HG3 . 18570 1 427 . 1 1 34 34 GLU C C 13 175.800 0.35 . 1 . . . A 34 GLU C . 18570 1 428 . 1 1 34 34 GLU CA C 13 55.840 0.35 . 1 . . . A 34 GLU CA . 18570 1 429 . 1 1 34 34 GLU CB C 13 28.110 0.35 . 1 . . . A 34 GLU CB . 18570 1 430 . 1 1 34 34 GLU CG C 13 33.756 0.35 . 1 . . . A 34 GLU CG . 18570 1 431 . 1 1 34 34 GLU N N 15 115.614 0.15 . 1 . . . A 34 GLU N . 18570 1 432 . 1 1 35 35 LYS H H 1 6.668 0.02 . 1 . . . A 35 LYS H . 18570 1 433 . 1 1 35 35 LYS HA H 1 3.910 0.02 . 1 . . . A 35 LYS HA . 18570 1 434 . 1 1 35 35 LYS HB2 H 1 1.945 0.02 . 2 . . . A 35 LYS HB2 . 18570 1 435 . 1 1 35 35 LYS HB3 H 1 1.801 0.02 . 2 . . . A 35 LYS HB3 . 18570 1 436 . 1 1 35 35 LYS HG2 H 1 1.118 0.02 . 2 . . . A 35 LYS HG2 . 18570 1 437 . 1 1 35 35 LYS HG3 H 1 1.159 0.02 . 2 . . . A 35 LYS HG3 . 18570 1 438 . 1 1 35 35 LYS HD2 H 1 1.538 0.02 . 2 . . . A 35 LYS HD2 . 18570 1 439 . 1 1 35 35 LYS HD3 H 1 1.538 0.02 . 2 . . . A 35 LYS HD3 . 18570 1 440 . 1 1 35 35 LYS HE2 H 1 2.947 0.02 . 2 . . . A 35 LYS HE2 . 18570 1 441 . 1 1 35 35 LYS HE3 H 1 2.947 0.02 . 2 . . . A 35 LYS HE3 . 18570 1 442 . 1 1 35 35 LYS C C 13 175.900 0.35 . 1 . . . A 35 LYS C . 18570 1 443 . 1 1 35 35 LYS CA C 13 56.510 0.35 . 1 . . . A 35 LYS CA . 18570 1 444 . 1 1 35 35 LYS CB C 13 28.320 0.35 . 1 . . . A 35 LYS CB . 18570 1 445 . 1 1 35 35 LYS CG C 13 24.468 0.35 . 1 . . . A 35 LYS CG . 18570 1 446 . 1 1 35 35 LYS CD C 13 28.800 0.35 . 1 . . . A 35 LYS CD . 18570 1 447 . 1 1 35 35 LYS N N 15 111.277 0.15 . 1 . . . A 35 LYS N . 18570 1 448 . 1 1 36 36 VAL H H 1 7.684 0.02 . 1 . . . A 36 VAL H . 18570 1 449 . 1 1 36 36 VAL HA H 1 3.860 0.02 . 1 . . . A 36 VAL HA . 18570 1 450 . 1 1 36 36 VAL HB H 1 1.531 0.02 . 1 . . . A 36 VAL HB . 18570 1 451 . 1 1 36 36 VAL HG11 H 1 0.410 0.02 . 2 . . . A 36 VAL MG1 . 18570 1 452 . 1 1 36 36 VAL HG12 H 1 0.410 0.02 . 2 . . . A 36 VAL MG1 . 18570 1 453 . 1 1 36 36 VAL HG13 H 1 0.410 0.02 . 2 . . . A 36 VAL MG1 . 18570 1 454 . 1 1 36 36 VAL HG21 H 1 0.322 0.02 . 2 . . . A 36 VAL MG2 . 18570 1 455 . 1 1 36 36 VAL HG22 H 1 0.322 0.02 . 2 . . . A 36 VAL MG2 . 18570 1 456 . 1 1 36 36 VAL HG23 H 1 0.322 0.02 . 2 . . . A 36 VAL MG2 . 18570 1 457 . 1 1 36 36 VAL C C 13 175.400 0.35 . 1 . . . A 36 VAL C . 18570 1 458 . 1 1 36 36 VAL CA C 13 60.880 0.35 . 1 . . . A 36 VAL CA . 18570 1 459 . 1 1 36 36 VAL CB C 13 32.640 0.35 . 1 . . . A 36 VAL CB . 18570 1 460 . 1 1 36 36 VAL CG1 C 13 21.300 0.35 . 2 . . . A 36 VAL CG1 . 18570 1 461 . 1 1 36 36 VAL CG2 C 13 20.610 0.35 . 2 . . . A 36 VAL CG2 . 18570 1 462 . 1 1 36 36 VAL N N 15 116.473 0.15 . 1 . . . A 36 VAL N . 18570 1 463 . 1 1 37 37 ASN H H 1 8.370 0.02 . 1 . . . A 37 ASN H . 18570 1 464 . 1 1 37 37 ASN HA H 1 4.660 0.02 . 1 . . . A 37 ASN HA . 18570 1 465 . 1 1 37 37 ASN HB2 H 1 2.832 0.02 . 2 . . . A 37 ASN HB2 . 18570 1 466 . 1 1 37 37 ASN HB3 H 1 2.832 0.02 . 2 . . . A 37 ASN HB3 . 18570 1 467 . 1 1 37 37 ASN HD22 H 1 6.958 0.02 . 2 . . . A 37 ASN HD22 . 18570 1 468 . 1 1 37 37 ASN CA C 13 51.540 0.35 . 1 . . . A 37 ASN CA . 18570 1 469 . 1 1 37 37 ASN CB C 13 39.180 0.35 . 1 . . . A 37 ASN CB . 18570 1 470 . 1 1 37 37 ASN N N 15 124.347 0.15 . 1 . . . A 37 ASN N . 18570 1 471 . 1 1 37 37 ASN ND2 N 15 113.369 0.15 . 1 . . . A 37 ASN ND2 . 18570 1 472 . 1 1 38 38 PRO HA H 1 4.029 0.02 . 1 . . . A 38 PRO HA . 18570 1 473 . 1 1 38 38 PRO HB2 H 1 1.931 0.02 . 2 . . . A 38 PRO HB2 . 18570 1 474 . 1 1 38 38 PRO HB3 H 1 2.260 0.02 . 2 . . . A 38 PRO HB3 . 18570 1 475 . 1 1 38 38 PRO HG2 H 1 2.023 0.02 . 2 . . . A 38 PRO HG2 . 18570 1 476 . 1 1 38 38 PRO HG3 H 1 2.023 0.02 . 2 . . . A 38 PRO HG3 . 18570 1 477 . 1 1 38 38 PRO HD2 H 1 3.945 0.02 . 2 . . . A 38 PRO HD2 . 18570 1 478 . 1 1 38 38 PRO HD3 H 1 3.783 0.02 . 2 . . . A 38 PRO HD3 . 18570 1 479 . 1 1 38 38 PRO C C 13 177.700 0.35 . 1 . . . A 38 PRO C . 18570 1 480 . 1 1 38 38 PRO CA C 13 65.040 0.35 . 1 . . . A 38 PRO CA . 18570 1 481 . 1 1 38 38 PRO CB C 13 32.240 0.35 . 1 . . . A 38 PRO CB . 18570 1 482 . 1 1 38 38 PRO CG C 13 27.455 0.35 . 1 . . . A 38 PRO CG . 18570 1 483 . 1 1 38 38 PRO CD C 13 51.009 0.35 . 1 . . . A 38 PRO CD . 18570 1 484 . 1 1 39 39 LEU H H 1 8.222 0.02 . 1 . . . A 39 LEU H . 18570 1 485 . 1 1 39 39 LEU HA H 1 4.280 0.02 . 1 . . . A 39 LEU HA . 18570 1 486 . 1 1 39 39 LEU HB2 H 1 1.639 0.02 . 2 . . . A 39 LEU HB2 . 18570 1 487 . 1 1 39 39 LEU HB3 H 1 1.639 0.02 . 2 . . . A 39 LEU HB3 . 18570 1 488 . 1 1 39 39 LEU HG H 1 1.670 0.02 . 1 . . . A 39 LEU HG . 18570 1 489 . 1 1 39 39 LEU HD11 H 1 1.100 0.02 . 2 . . . A 39 LEU MD1 . 18570 1 490 . 1 1 39 39 LEU HD12 H 1 1.100 0.02 . 2 . . . A 39 LEU MD1 . 18570 1 491 . 1 1 39 39 LEU HD13 H 1 1.100 0.02 . 2 . . . A 39 LEU MD1 . 18570 1 492 . 1 1 39 39 LEU HD21 H 1 0.894 0.02 . 2 . . . A 39 LEU MD2 . 18570 1 493 . 1 1 39 39 LEU HD22 H 1 0.894 0.02 . 2 . . . A 39 LEU MD2 . 18570 1 494 . 1 1 39 39 LEU HD23 H 1 0.894 0.02 . 2 . . . A 39 LEU MD2 . 18570 1 495 . 1 1 39 39 LEU C C 13 178.700 0.35 . 1 . . . A 39 LEU C . 18570 1 496 . 1 1 39 39 LEU CA C 13 56.200 0.35 . 1 . . . A 39 LEU CA . 18570 1 497 . 1 1 39 39 LEU CB C 13 41.460 0.35 . 1 . . . A 39 LEU CB . 18570 1 498 . 1 1 39 39 LEU CG C 13 27.294 0.35 . 1 . . . A 39 LEU CG . 18570 1 499 . 1 1 39 39 LEU CD1 C 13 22.450 0.35 . 2 . . . A 39 LEU CD1 . 18570 1 500 . 1 1 39 39 LEU CD2 C 13 25.013 0.35 . 2 . . . A 39 LEU CD2 . 18570 1 501 . 1 1 39 39 LEU N N 15 115.591 0.15 . 1 . . . A 39 LEU N . 18570 1 502 . 1 1 40 40 SER H H 1 8.367 0.02 . 1 . . . A 40 SER H . 18570 1 503 . 1 1 40 40 SER HA H 1 4.810 0.02 . 1 . . . A 40 SER HA . 18570 1 504 . 1 1 40 40 SER HB2 H 1 4.328 0.02 . 2 . . . A 40 SER HB2 . 18570 1 505 . 1 1 40 40 SER HB3 H 1 3.945 0.02 . 2 . . . A 40 SER HB3 . 18570 1 506 . 1 1 40 40 SER C C 13 174.700 0.35 . 1 . . . A 40 SER C . 18570 1 507 . 1 1 40 40 SER CA C 13 57.710 0.35 . 1 . . . A 40 SER CA . 18570 1 508 . 1 1 40 40 SER CB C 13 64.410 0.35 . 1 . . . A 40 SER CB . 18570 1 509 . 1 1 40 40 SER N N 15 114.617 0.15 . 1 . . . A 40 SER N . 18570 1 510 . 1 1 41 41 ILE H H 1 6.995 0.02 . 1 . . . A 41 ILE H . 18570 1 511 . 1 1 41 41 ILE HA H 1 3.857 0.02 . 1 . . . A 41 ILE HA . 18570 1 512 . 1 1 41 41 ILE HB H 1 1.916 0.02 . 1 . . . A 41 ILE HB . 18570 1 513 . 1 1 41 41 ILE HG12 H 1 1.632 0.02 . 2 . . . A 41 ILE HG12 . 18570 1 514 . 1 1 41 41 ILE HG13 H 1 1.277 0.02 . 2 . . . A 41 ILE HG13 . 18570 1 515 . 1 1 41 41 ILE HG21 H 1 0.958 0.02 . 1 . . . A 41 ILE MG . 18570 1 516 . 1 1 41 41 ILE HG22 H 1 0.958 0.02 . 1 . . . A 41 ILE MG . 18570 1 517 . 1 1 41 41 ILE HG23 H 1 0.958 0.02 . 1 . . . A 41 ILE MG . 18570 1 518 . 1 1 41 41 ILE HD11 H 1 0.807 0.02 . 1 . . . A 41 ILE MD . 18570 1 519 . 1 1 41 41 ILE HD12 H 1 0.807 0.02 . 1 . . . A 41 ILE MD . 18570 1 520 . 1 1 41 41 ILE HD13 H 1 0.807 0.02 . 1 . . . A 41 ILE MD . 18570 1 521 . 1 1 41 41 ILE C C 13 176.500 0.35 . 1 . . . A 41 ILE C . 18570 1 522 . 1 1 41 41 ILE CA C 13 65.300 0.35 . 1 . . . A 41 ILE CA . 18570 1 523 . 1 1 41 41 ILE CB C 13 38.930 0.35 . 1 . . . A 41 ILE CB . 18570 1 524 . 1 1 41 41 ILE CG1 C 13 27.084 0.35 . 1 . . . A 41 ILE CG1 . 18570 1 525 . 1 1 41 41 ILE CG2 C 13 18.146 0.35 . 1 . . . A 41 ILE CG2 . 18570 1 526 . 1 1 41 41 ILE CD1 C 13 14.713 0.35 . 1 . . . A 41 ILE CD1 . 18570 1 527 . 1 1 41 41 ILE N N 15 116.163 0.15 . 1 . . . A 41 ILE N . 18570 1 528 . 1 1 42 42 ASP H H 1 8.382 0.02 . 1 . . . A 42 ASP H . 18570 1 529 . 1 1 42 42 ASP HA H 1 4.460 0.02 . 1 . . . A 42 ASP HA . 18570 1 530 . 1 1 42 42 ASP HB2 H 1 2.438 0.02 . 2 . . . A 42 ASP HB2 . 18570 1 531 . 1 1 42 42 ASP HB3 H 1 2.243 0.02 . 2 . . . A 42 ASP HB3 . 18570 1 532 . 1 1 42 42 ASP C C 13 176.900 0.35 . 1 . . . A 42 ASP C . 18570 1 533 . 1 1 42 42 ASP CA C 13 56.740 0.35 . 1 . . . A 42 ASP CA . 18570 1 534 . 1 1 42 42 ASP CB C 13 40.150 0.35 . 1 . . . A 42 ASP CB . 18570 1 535 . 1 1 42 42 ASP N N 15 117.547 0.15 . 1 . . . A 42 ASP N . 18570 1 536 . 1 1 43 43 TYR H H 1 7.575 0.02 . 1 . . . A 43 TYR H . 18570 1 537 . 1 1 43 43 TYR HA H 1 4.270 0.02 . 1 . . . A 43 TYR HA . 18570 1 538 . 1 1 43 43 TYR HB2 H 1 2.720 0.02 . 2 . . . A 43 TYR HB2 . 18570 1 539 . 1 1 43 43 TYR HB3 H 1 2.507 0.02 . 2 . . . A 43 TYR HB3 . 18570 1 540 . 1 1 43 43 TYR HD1 H 1 6.963 0.02 . 3 . . . A 43 TYR HD1 . 18570 1 541 . 1 1 43 43 TYR HD2 H 1 6.963 0.02 . 3 . . . A 43 TYR HD2 . 18570 1 542 . 1 1 43 43 TYR HE1 H 1 6.805 0.02 . 3 . . . A 43 TYR HE1 . 18570 1 543 . 1 1 43 43 TYR HE2 H 1 6.805 0.02 . 3 . . . A 43 TYR HE2 . 18570 1 544 . 1 1 43 43 TYR C C 13 176.600 0.35 . 1 . . . A 43 TYR C . 18570 1 545 . 1 1 43 43 TYR CA C 13 58.470 0.35 . 1 . . . A 43 TYR CA . 18570 1 546 . 1 1 43 43 TYR CB C 13 37.800 0.35 . 1 . . . A 43 TYR CB . 18570 1 547 . 1 1 43 43 TYR CD1 C 13 132.800 0.35 . 3 . . . A 43 TYR CD1 . 18570 1 548 . 1 1 43 43 TYR CD2 C 13 132.800 0.35 . 3 . . . A 43 TYR CD2 . 18570 1 549 . 1 1 43 43 TYR CE1 C 13 118.220 0.35 . 3 . . . A 43 TYR CE1 . 18570 1 550 . 1 1 43 43 TYR CE2 C 13 118.220 0.35 . 3 . . . A 43 TYR CE2 . 18570 1 551 . 1 1 43 43 TYR N N 15 115.352 0.15 . 1 . . . A 43 TYR N . 18570 1 552 . 1 1 44 44 TYR H H 1 8.010 0.02 . 1 . . . A 44 TYR H . 18570 1 553 . 1 1 44 44 TYR HA H 1 4.680 0.02 . 1 . . . A 44 TYR HA . 18570 1 554 . 1 1 44 44 TYR HB2 H 1 3.692 0.02 . 2 . . . A 44 TYR HB2 . 18570 1 555 . 1 1 44 44 TYR HB3 H 1 2.752 0.02 . 2 . . . A 44 TYR HB3 . 18570 1 556 . 1 1 44 44 TYR HD1 H 1 7.145 0.02 . 3 . . . A 44 TYR HD1 . 18570 1 557 . 1 1 44 44 TYR HD2 H 1 7.145 0.02 . 3 . . . A 44 TYR HD2 . 18570 1 558 . 1 1 44 44 TYR HE1 H 1 6.860 0.02 . 3 . . . A 44 TYR HE1 . 18570 1 559 . 1 1 44 44 TYR HE2 H 1 6.860 0.02 . 3 . . . A 44 TYR HE2 . 18570 1 560 . 1 1 44 44 TYR C C 13 173.800 0.35 . 1 . . . A 44 TYR C . 18570 1 561 . 1 1 44 44 TYR CA C 13 59.280 0.35 . 1 . . . A 44 TYR CA . 18570 1 562 . 1 1 44 44 TYR CB C 13 40.990 0.35 . 1 . . . A 44 TYR CB . 18570 1 563 . 1 1 44 44 TYR CD1 C 13 133.630 0.35 . 3 . . . A 44 TYR CD1 . 18570 1 564 . 1 1 44 44 TYR CD2 C 13 133.630 0.35 . 3 . . . A 44 TYR CD2 . 18570 1 565 . 1 1 44 44 TYR CE1 C 13 118.500 0.35 . 3 . . . A 44 TYR CE1 . 18570 1 566 . 1 1 44 44 TYR CE2 C 13 118.500 0.35 . 3 . . . A 44 TYR CE2 . 18570 1 567 . 1 1 44 44 TYR N N 15 114.116 0.15 . 1 . . . A 44 TYR N . 18570 1 568 . 1 1 45 45 TYR H H 1 7.394 0.02 . 1 . . . A 45 TYR H . 18570 1 569 . 1 1 45 45 TYR HA H 1 5.860 0.02 . 1 . . . A 45 TYR HA . 18570 1 570 . 1 1 45 45 TYR HB2 H 1 3.217 0.02 . 2 . . . A 45 TYR HB2 . 18570 1 571 . 1 1 45 45 TYR HB3 H 1 2.944 0.02 . 2 . . . A 45 TYR HB3 . 18570 1 572 . 1 1 45 45 TYR HD1 H 1 6.996 0.02 . 3 . . . A 45 TYR HD1 . 18570 1 573 . 1 1 45 45 TYR HD2 H 1 6.996 0.02 . 3 . . . A 45 TYR HD2 . 18570 1 574 . 1 1 45 45 TYR HE1 H 1 6.810 0.02 . 3 . . . A 45 TYR HE1 . 18570 1 575 . 1 1 45 45 TYR HE2 H 1 6.810 0.02 . 3 . . . A 45 TYR HE2 . 18570 1 576 . 1 1 45 45 TYR C C 13 173.000 0.35 . 1 . . . A 45 TYR C . 18570 1 577 . 1 1 45 45 TYR CA C 13 56.370 0.35 . 1 . . . A 45 TYR CA . 18570 1 578 . 1 1 45 45 TYR CB C 13 43.510 0.35 . 1 . . . A 45 TYR CB . 18570 1 579 . 1 1 45 45 TYR CD1 C 13 133.890 0.35 . 3 . . . A 45 TYR CD1 . 18570 1 580 . 1 1 45 45 TYR CD2 C 13 133.890 0.35 . 3 . . . A 45 TYR CD2 . 18570 1 581 . 1 1 45 45 TYR CE1 C 13 118.300 0.35 . 3 . . . A 45 TYR CE1 . 18570 1 582 . 1 1 45 45 TYR CE2 C 13 118.300 0.35 . 3 . . . A 45 TYR CE2 . 18570 1 583 . 1 1 45 45 TYR N N 15 115.085 0.15 . 1 . . . A 45 TYR N . 18570 1 584 . 1 1 46 46 GLN H H 1 8.634 0.02 . 1 . . . A 46 GLN H . 18570 1 585 . 1 1 46 46 GLN HA H 1 4.700 0.02 . 1 . . . A 46 GLN HA . 18570 1 586 . 1 1 46 46 GLN HB2 H 1 2.158 0.02 . 2 . . . A 46 GLN HB2 . 18570 1 587 . 1 1 46 46 GLN HB3 H 1 1.986 0.02 . 2 . . . A 46 GLN HB3 . 18570 1 588 . 1 1 46 46 GLN HG2 H 1 2.296 0.02 . 2 . . . A 46 GLN HG2 . 18570 1 589 . 1 1 46 46 GLN HG3 H 1 2.296 0.02 . 2 . . . A 46 GLN HG3 . 18570 1 590 . 1 1 46 46 GLN HE21 H 1 7.499 0.02 . 2 . . . A 46 GLN HE21 . 18570 1 591 . 1 1 46 46 GLN HE22 H 1 6.836 0.02 . 2 . . . A 46 GLN HE22 . 18570 1 592 . 1 1 46 46 GLN C C 13 174.000 0.35 . 1 . . . A 46 GLN C . 18570 1 593 . 1 1 46 46 GLN CA C 13 53.990 0.35 . 1 . . . A 46 GLN CA . 18570 1 594 . 1 1 46 46 GLN CB C 13 32.200 0.35 . 1 . . . A 46 GLN CB . 18570 1 595 . 1 1 46 46 GLN N N 15 116.969 0.15 . 1 . . . A 46 GLN N . 18570 1 596 . 1 1 46 46 GLN NE2 N 15 111.017 0.15 . 1 . . . A 46 GLN NE2 . 18570 1 597 . 1 1 47 47 SER H H 1 8.769 0.02 . 1 . . . A 47 SER H . 18570 1 598 . 1 1 47 47 SER HA H 1 5.258 0.02 . 1 . . . A 47 SER HA . 18570 1 599 . 1 1 47 47 SER HB2 H 1 3.621 0.02 . 2 . . . A 47 SER HB2 . 18570 1 600 . 1 1 47 47 SER HB3 H 1 3.483 0.02 . 2 . . . A 47 SER HB3 . 18570 1 601 . 1 1 47 47 SER C C 13 172.800 0.35 . 1 . . . A 47 SER C . 18570 1 602 . 1 1 47 47 SER CA C 13 56.730 0.35 . 1 . . . A 47 SER CA . 18570 1 603 . 1 1 47 47 SER CB C 13 66.240 0.35 . 1 . . . A 47 SER CB . 18570 1 604 . 1 1 47 47 SER N N 15 117.175 0.15 . 1 . . . A 47 SER N . 18570 1 605 . 1 1 48 48 PHE H H 1 8.139 0.02 . 1 . . . A 48 PHE H . 18570 1 606 . 1 1 48 48 PHE HA H 1 4.820 0.02 . 1 . . . A 48 PHE HA . 18570 1 607 . 1 1 48 48 PHE HB2 H 1 3.186 0.02 . 2 . . . A 48 PHE HB2 . 18570 1 608 . 1 1 48 48 PHE HB3 H 1 2.864 0.02 . 2 . . . A 48 PHE HB3 . 18570 1 609 . 1 1 48 48 PHE HD1 H 1 6.880 0.02 . 3 . . . A 48 PHE HD1 . 18570 1 610 . 1 1 48 48 PHE HD2 H 1 6.880 0.02 . 3 . . . A 48 PHE HD2 . 18570 1 611 . 1 1 48 48 PHE HE1 H 1 7.090 0.02 . 3 . . . A 48 PHE HE1 . 18570 1 612 . 1 1 48 48 PHE HE2 H 1 7.090 0.02 . 3 . . . A 48 PHE HE2 . 18570 1 613 . 1 1 48 48 PHE C C 13 173.800 0.35 . 1 . . . A 48 PHE C . 18570 1 614 . 1 1 48 48 PHE CA C 13 56.240 0.35 . 1 . . . A 48 PHE CA . 18570 1 615 . 1 1 48 48 PHE CB C 13 40.770 0.35 . 1 . . . A 48 PHE CB . 18570 1 616 . 1 1 48 48 PHE CD1 C 13 132.000 0.35 . 3 . . . A 48 PHE CD1 . 18570 1 617 . 1 1 48 48 PHE CD2 C 13 132.000 0.35 . 3 . . . A 48 PHE CD2 . 18570 1 618 . 1 1 48 48 PHE CE1 C 13 132.690 0.35 . 3 . . . A 48 PHE CE1 . 18570 1 619 . 1 1 48 48 PHE CE2 C 13 132.690 0.35 . 3 . . . A 48 PHE CE2 . 18570 1 620 . 1 1 48 48 PHE N N 15 118.823 0.15 . 1 . . . A 48 PHE N . 18570 1 621 . 1 1 49 49 SER H H 1 8.611 0.02 . 1 . . . A 49 SER H . 18570 1 622 . 1 1 49 49 SER HA H 1 5.024 0.02 . 1 . . . A 49 SER HA . 18570 1 623 . 1 1 49 49 SER HB2 H 1 3.734 0.02 . 2 . . . A 49 SER HB2 . 18570 1 624 . 1 1 49 49 SER HB3 H 1 3.734 0.02 . 2 . . . A 49 SER HB3 . 18570 1 625 . 1 1 49 49 SER C C 13 174.100 0.35 . 1 . . . A 49 SER C . 18570 1 626 . 1 1 49 49 SER CA C 13 57.930 0.35 . 1 . . . A 49 SER CA . 18570 1 627 . 1 1 49 49 SER CB C 13 64.440 0.35 . 1 . . . A 49 SER CB . 18570 1 628 . 1 1 49 49 SER N N 15 115.905 0.15 . 1 . . . A 49 SER N . 18570 1 629 . 1 1 50 50 VAL H H 1 8.566 0.02 . 1 . . . A 50 VAL H . 18570 1 630 . 1 1 50 50 VAL HA H 1 4.370 0.02 . 1 . . . A 50 VAL HA . 18570 1 631 . 1 1 50 50 VAL HB H 1 2.065 0.02 . 1 . . . A 50 VAL HB . 18570 1 632 . 1 1 50 50 VAL HG11 H 1 0.908 0.02 . 2 . . . A 50 VAL MG1 . 18570 1 633 . 1 1 50 50 VAL HG12 H 1 0.908 0.02 . 2 . . . A 50 VAL MG1 . 18570 1 634 . 1 1 50 50 VAL HG13 H 1 0.908 0.02 . 2 . . . A 50 VAL MG1 . 18570 1 635 . 1 1 50 50 VAL HG21 H 1 0.850 0.02 . 2 . . . A 50 VAL MG2 . 18570 1 636 . 1 1 50 50 VAL HG22 H 1 0.850 0.02 . 2 . . . A 50 VAL MG2 . 18570 1 637 . 1 1 50 50 VAL HG23 H 1 0.850 0.02 . 2 . . . A 50 VAL MG2 . 18570 1 638 . 1 1 50 50 VAL C C 13 175.000 0.35 . 1 . . . A 50 VAL C . 18570 1 639 . 1 1 50 50 VAL CA C 13 61.020 0.35 . 1 . . . A 50 VAL CA . 18570 1 640 . 1 1 50 50 VAL CB C 13 34.360 0.35 . 1 . . . A 50 VAL CB . 18570 1 641 . 1 1 50 50 VAL CG1 C 13 21.594 0.35 . 2 . . . A 50 VAL CG1 . 18570 1 642 . 1 1 50 50 VAL CG2 C 13 20.314 0.35 . 2 . . . A 50 VAL CG2 . 18570 1 643 . 1 1 50 50 VAL N N 15 120.804 0.15 . 1 . . . A 50 VAL N . 18570 1 644 . 1 1 51 51 SER H H 1 8.501 0.02 . 1 . . . A 51 SER H . 18570 1 645 . 1 1 51 51 SER HA H 1 4.580 0.02 . 1 . . . A 51 SER HA . 18570 1 646 . 1 1 51 51 SER HB2 H 1 3.841 0.02 . 2 . . . A 51 SER HB2 . 18570 1 647 . 1 1 51 51 SER HB3 H 1 3.841 0.02 . 2 . . . A 51 SER HB3 . 18570 1 648 . 1 1 51 51 SER C C 13 175.100 0.35 . 1 . . . A 51 SER C . 18570 1 649 . 1 1 51 51 SER CA C 13 58.020 0.35 . 1 . . . A 51 SER CA . 18570 1 650 . 1 1 51 51 SER CB C 13 63.890 0.35 . 1 . . . A 51 SER CB . 18570 1 651 . 1 1 51 51 SER N N 15 118.356 0.15 . 1 . . . A 51 SER N . 18570 1 652 . 1 1 52 52 LEU H H 1 8.423 0.02 . 1 . . . . 52 LEU H . 18570 1 653 . 1 1 52 52 LEU HA H 1 4.226 0.02 . 1 . . . . 52 LEU HA . 18570 1 654 . 1 1 52 52 LEU HB2 H 1 1.572 0.02 . 2 . . . . 52 LEU HB2 . 18570 1 655 . 1 1 52 52 LEU HB3 H 1 1.572 0.02 . 2 . . . . 52 LEU HB3 . 18570 1 656 . 1 1 52 52 LEU HG H 1 1.723 0.02 . 1 . . . . 52 LEU HG . 18570 1 657 . 1 1 52 52 LEU HD11 H 1 0.802 0.02 . 2 . . . . 52 LEU MD1 . 18570 1 658 . 1 1 52 52 LEU HD12 H 1 0.802 0.02 . 2 . . . . 52 LEU MD1 . 18570 1 659 . 1 1 52 52 LEU HD13 H 1 0.802 0.02 . 2 . . . . 52 LEU MD1 . 18570 1 660 . 1 1 52 52 LEU HD21 H 1 0.802 0.02 . 2 . . . . 52 LEU MD2 . 18570 1 661 . 1 1 52 52 LEU HD22 H 1 0.802 0.02 . 2 . . . . 52 LEU MD2 . 18570 1 662 . 1 1 52 52 LEU HD23 H 1 0.802 0.02 . 2 . . . . 52 LEU MD2 . 18570 1 663 . 1 1 52 52 LEU C C 13 177.600 0.35 . 1 . . . . 52 LEU C . 18570 1 664 . 1 1 52 52 LEU CA C 13 56.070 0.35 . 1 . . . . 52 LEU CA . 18570 1 665 . 1 1 52 52 LEU CB C 13 42.170 0.35 . 1 . . . . 52 LEU CB . 18570 1 666 . 1 1 52 52 LEU CG C 13 27.003 0.35 . 1 . . . . 52 LEU CG . 18570 1 667 . 1 1 52 52 LEU CD1 C 13 23.600 0.35 . 2 . . . . 52 LEU CD1 . 18570 1 668 . 1 1 52 52 LEU CD2 C 13 23.600 0.35 . 2 . . . . 52 LEU CD2 . 18570 1 669 . 1 1 52 52 LEU N N 15 125.326 0.15 . 1 . . . . 52 LEU N . 18570 1 670 . 1 1 53 53 LYS H H 1 8.126 0.02 . 1 . . . . 53 LYS H . 18570 1 671 . 1 1 53 53 LYS HA H 1 4.194 0.02 . 1 . . . . 53 LYS HA . 18570 1 672 . 1 1 53 53 LYS HB2 H 1 1.728 0.02 . 2 . . . . 53 LYS HB2 . 18570 1 673 . 1 1 53 53 LYS HB3 H 1 1.728 0.02 . 2 . . . . 53 LYS HB3 . 18570 1 674 . 1 1 53 53 LYS HG2 H 1 1.344 0.02 . 2 . . . . 53 LYS HG2 . 18570 1 675 . 1 1 53 53 LYS HG3 H 1 1.344 0.02 . 2 . . . . 53 LYS HG3 . 18570 1 676 . 1 1 53 53 LYS HD2 H 1 1.625 0.02 . 2 . . . . 53 LYS HD2 . 18570 1 677 . 1 1 53 53 LYS HD3 H 1 1.625 0.02 . 2 . . . . 53 LYS HD3 . 18570 1 678 . 1 1 53 53 LYS C C 13 176.400 0.35 . 1 . . . . 53 LYS C . 18570 1 679 . 1 1 53 53 LYS CA C 13 56.940 0.35 . 1 . . . . 53 LYS CA . 18570 1 680 . 1 1 53 53 LYS CB C 13 32.910 0.35 . 1 . . . . 53 LYS CB . 18570 1 681 . 1 1 53 53 LYS CG C 13 24.473 0.35 . 1 . . . . 53 LYS CG . 18570 1 682 . 1 1 53 53 LYS N N 15 119.682 0.15 . 1 . . . . 53 LYS N . 18570 1 683 . 1 1 54 54 ASP H H 1 8.057 0.02 . 1 . . . . 54 ASP H . 18570 1 684 . 1 1 54 54 ASP HA H 1 4.616 0.02 . 1 . . . . 54 ASP HA . 18570 1 685 . 1 1 54 54 ASP HB2 H 1 2.578 0.02 . 2 . . . . 54 ASP HB2 . 18570 1 686 . 1 1 54 54 ASP HB3 H 1 2.711 0.02 . 2 . . . . 54 ASP HB3 . 18570 1 687 . 1 1 54 54 ASP C C 13 176.700 0.35 . 1 . . . . 54 ASP C . 18570 1 688 . 1 1 54 54 ASP CA C 13 54.620 0.35 . 1 . . . . 54 ASP CA . 18570 1 689 . 1 1 54 54 ASP CB C 13 41.400 0.35 . 1 . . . . 54 ASP CB . 18570 1 690 . 1 1 54 54 ASP N N 15 120.232 0.15 . 1 . . . . 54 ASP N . 18570 1 691 . 1 1 55 55 VAL H H 1 7.869 0.02 . 1 . . . . 55 VAL H . 18570 1 692 . 1 1 55 55 VAL HA H 1 3.950 0.02 . 1 . . . . 55 VAL HA . 18570 1 693 . 1 1 55 55 VAL HB H 1 2.102 0.02 . 1 . . . . 55 VAL HB . 18570 1 694 . 1 1 55 55 VAL HG11 H 1 0.890 0.02 . 2 . . . . 55 VAL MG1 . 18570 1 695 . 1 1 55 55 VAL HG12 H 1 0.890 0.02 . 2 . . . . 55 VAL MG1 . 18570 1 696 . 1 1 55 55 VAL HG13 H 1 0.890 0.02 . 2 . . . . 55 VAL MG1 . 18570 1 697 . 1 1 55 55 VAL HG21 H 1 0.870 0.02 . 2 . . . . 55 VAL MG2 . 18570 1 698 . 1 1 55 55 VAL HG22 H 1 0.870 0.02 . 2 . . . . 55 VAL MG2 . 18570 1 699 . 1 1 55 55 VAL HG23 H 1 0.870 0.02 . 2 . . . . 55 VAL MG2 . 18570 1 700 . 1 1 55 55 VAL C C 13 176.400 0.35 . 1 . . . . 55 VAL C . 18570 1 701 . 1 1 55 55 VAL CA C 13 63.240 0.35 . 1 . . . . 55 VAL CA . 18570 1 702 . 1 1 55 55 VAL CB C 13 32.290 0.35 . 1 . . . . 55 VAL CB . 18570 1 703 . 1 1 55 55 VAL CG1 C 13 20.840 0.35 . 2 . . . . 55 VAL CG1 . 18570 1 704 . 1 1 55 55 VAL CG2 C 13 20.840 0.35 . 2 . . . . 55 VAL CG2 . 18570 1 705 . 1 1 55 55 VAL N N 15 119.586 0.15 . 1 . . . . 55 VAL N . 18570 1 706 . 1 1 56 56 ASN H H 1 8.308 0.02 . 1 . . . . 56 ASN H . 18570 1 707 . 1 1 56 56 ASN HA H 1 4.652 0.02 . 1 . . . . 56 ASN HA . 18570 1 708 . 1 1 56 56 ASN HB2 H 1 2.700 0.02 . 2 . . . . 56 ASN HB2 . 18570 1 709 . 1 1 56 56 ASN HB3 H 1 2.781 0.02 . 2 . . . . 56 ASN HB3 . 18570 1 710 . 1 1 56 56 ASN HD21 H 1 6.876 0.02 . 2 . . . . 56 ASN HD21 . 18570 1 711 . 1 1 56 56 ASN HD22 H 1 7.600 0.02 . 2 . . . . 56 ASN HD22 . 18570 1 712 . 1 1 56 56 ASN C C 13 174.900 0.35 . 1 . . . . 56 ASN C . 18570 1 713 . 1 1 56 56 ASN CA C 13 53.660 0.35 . 1 . . . . 56 ASN CA . 18570 1 714 . 1 1 56 56 ASN CB C 13 38.820 0.35 . 1 . . . . 56 ASN CB . 18570 1 715 . 1 1 56 56 ASN N N 15 119.722 0.15 . 1 . . . . 56 ASN N . 18570 1 716 . 1 1 56 56 ASN ND2 N 15 112.966 0.15 . 1 . . . . 56 ASN ND2 . 18570 1 717 . 1 1 57 57 LYS H H 1 7.912 0.02 . 1 . . . . 57 LYS H . 18570 1 718 . 1 1 57 57 LYS HA H 1 4.280 0.02 . 1 . . . . 57 LYS HA . 18570 1 719 . 1 1 57 57 LYS HB2 H 1 1.720 0.02 . 2 . . . . 57 LYS HB2 . 18570 1 720 . 1 1 57 57 LYS HB3 H 1 1.807 0.02 . 2 . . . . 57 LYS HB3 . 18570 1 721 . 1 1 57 57 LYS HG2 H 1 1.349 0.02 . 2 . . . . 57 LYS HG2 . 18570 1 722 . 1 1 57 57 LYS HG3 H 1 1.349 0.02 . 2 . . . . 57 LYS HG3 . 18570 1 723 . 1 1 57 57 LYS C C 13 175.900 0.35 . 1 . . . . 57 LYS C . 18570 1 724 . 1 1 57 57 LYS CA C 13 56.310 0.35 . 1 . . . . 57 LYS CA . 18570 1 725 . 1 1 57 57 LYS CB C 13 33.170 0.35 . 1 . . . . 57 LYS CB . 18570 1 726 . 1 1 57 57 LYS CG C 13 24.725 0.35 . 1 . . . . 57 LYS CG . 18570 1 727 . 1 1 57 57 LYS CD C 13 29.085 0.35 . 1 . . . . 57 LYS CD . 18570 1 728 . 1 1 57 57 LYS CE C 13 42.161 0.35 . 1 . . . . 57 LYS CE . 18570 1 729 . 1 1 57 57 LYS N N 15 120.734 0.15 . 1 . . . . 57 LYS N . 18570 1 730 . 1 1 58 58 ILE H H 1 8.031 0.02 . 1 . . . . 58 ILE H . 18570 1 731 . 1 1 58 58 ILE HA H 1 4.120 0.02 . 1 . . . . 58 ILE HA . 18570 1 732 . 1 1 58 58 ILE HB H 1 1.831 0.02 . 1 . . . . 58 ILE HB . 18570 1 733 . 1 1 58 58 ILE HG12 H 1 1.119 0.02 . 2 . . . . 58 ILE HG12 . 18570 1 734 . 1 1 58 58 ILE HG13 H 1 1.434 0.02 . 2 . . . . 58 ILE HG13 . 18570 1 735 . 1 1 58 58 ILE HG21 H 1 0.842 0.02 . 1 . . . . 58 ILE MG . 18570 1 736 . 1 1 58 58 ILE HG22 H 1 0.842 0.02 . 1 . . . . 58 ILE MG . 18570 1 737 . 1 1 58 58 ILE HG23 H 1 0.842 0.02 . 1 . . . . 58 ILE MG . 18570 1 738 . 1 1 58 58 ILE HD11 H 1 0.789 0.02 . 1 . . . . 58 ILE MD . 18570 1 739 . 1 1 58 58 ILE HD12 H 1 0.789 0.02 . 1 . . . . 58 ILE MD . 18570 1 740 . 1 1 58 58 ILE HD13 H 1 0.789 0.02 . 1 . . . . 58 ILE MD . 18570 1 741 . 1 1 58 58 ILE C C 13 175.100 0.35 . 1 . . . . 58 ILE C . 18570 1 742 . 1 1 58 58 ILE CA C 13 61.350 0.35 . 1 . . . . 58 ILE CA . 18570 1 743 . 1 1 58 58 ILE CB C 13 38.510 0.35 . 1 . . . . 58 ILE CB . 18570 1 744 . 1 1 58 58 ILE CG1 C 13 27.183 0.35 . 1 . . . . 58 ILE CG1 . 18570 1 745 . 1 1 58 58 ILE CG2 C 13 17.530 0.35 . 1 . . . . 58 ILE CG2 . 18570 1 746 . 1 1 58 58 ILE CD1 C 13 12.843 0.35 . 1 . . . . 58 ILE CD1 . 18570 1 747 . 1 1 58 58 ILE N N 15 122.483 0.15 . 1 . . . . 58 ILE N . 18570 1 748 . 1 1 59 59 ILE H H 1 7.686 0.02 . 1 . . . . 59 ILE H . 18570 1 749 . 1 1 59 59 ILE HA H 1 4.020 0.02 . 1 . . . . 59 ILE HA . 18570 1 750 . 1 1 59 59 ILE HB H 1 1.759 0.02 . 1 . . . . 59 ILE HB . 18570 1 751 . 1 1 59 59 ILE HG12 H 1 1.087 0.02 . 2 . . . . 59 ILE HG12 . 18570 1 752 . 1 1 59 59 ILE HG13 H 1 1.371 0.02 . 2 . . . . 59 ILE HG13 . 18570 1 753 . 1 1 59 59 ILE HG21 H 1 0.829 0.02 . 1 . . . . 59 ILE MG . 18570 1 754 . 1 1 59 59 ILE HG22 H 1 0.829 0.02 . 1 . . . . 59 ILE MG . 18570 1 755 . 1 1 59 59 ILE HG23 H 1 0.829 0.02 . 1 . . . . 59 ILE MG . 18570 1 756 . 1 1 59 59 ILE HD11 H 1 0.790 0.02 . 1 . . . . 59 ILE MD . 18570 1 757 . 1 1 59 59 ILE HD12 H 1 0.790 0.02 . 1 . . . . 59 ILE MD . 18570 1 758 . 1 1 59 59 ILE HD13 H 1 0.790 0.02 . 1 . . . . 59 ILE MD . 18570 1 759 . 1 1 59 59 ILE CA C 13 62.860 0.35 . 1 . . . . 59 ILE CA . 18570 1 760 . 1 1 59 59 ILE CB C 13 39.620 0.35 . 1 . . . . 59 ILE CB . 18570 1 761 . 1 1 59 59 ILE CG1 C 13 27.140 0.35 . 1 . . . . 59 ILE CG1 . 18570 1 762 . 1 1 59 59 ILE CG2 C 13 17.700 0.35 . 1 . . . . 59 ILE CG2 . 18570 1 763 . 1 1 59 59 ILE CD1 C 13 13.195 0.35 . 1 . . . . 59 ILE CD1 . 18570 1 764 . 1 1 59 59 ILE N N 15 129.371 0.15 . 1 . . . . 59 ILE N . 18570 1 stop_ save_