data_34662 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34662 _Entry.Title ; Structure of Insulin receptor-related receptor's transmembrane domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-08-28 _Entry.Accession_date 2021-08-28 _Entry.Last_release_date 2021-09-29 _Entry.Original_release_date 2021-09-29 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Y. Bershatsky Y. V. . . 34662 2 K. Nadezhdin K. D. . . 34662 3 O. Bocharova O. V. . . 34662 4 E. Bocharov E. V. . . 34662 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID IRR . 34662 'Insulin receptor-related receptor' . 34662 PROTEIN . 34662 RECEPTOR . 34662 'TRANSMEMBRANE DOMAIN' . 34662 Transferase . 34662 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34662 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 135 34662 '15N chemical shifts' 30 34662 '1H chemical shifts' 230 34662 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 2 . . 2023-03-17 2021-08-28 update BMRB 'update entry citation' 34662 1 . . 2022-09-02 2021-08-28 original author 'original release' 34662 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7PL4 'BMRB Entry Tracking System' 34662 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34662 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36835322 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Diversity of Structural, Dynamic, and Environmental Effects Explain a Distinctive Functional Role of Transmembrane Domains in the Insulin Receptor Subfamily ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Int. J. Mol. Sci.' _Citation.Journal_name_full 'International journal of molecular sciences' _Citation.Journal_volume 24 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1422-0067 _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 3906 _Citation.Page_last 3906 _Citation.Year 2023 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yaroslav Bershatsky Y. V. . . 34662 1 2 Andrey Kuznetsov A. S. . . 34662 1 3 Aisha Idiatullina A. R. . . 34662 1 4 Olga Bocharova O. V. . . 34662 1 5 Sofya Dolotova S. M. . . 34662 1 6 Alina Gavrilenkova A. A. . . 34662 1 7 Oxana Serova O. V. . . 34662 1 8 Igor Deyev I. E. . . 34662 1 9 Tatiana Rakitina T. V. . . 34662 1 10 Olga Zangieva O. T. . . 34662 1 11 Konstantin Pavlov K. V. . . 34662 1 12 Oleg Batishchev O. V. . . 34662 1 13 Vladimir Britikov V. V. . . 34662 1 14 Sergey Usanov S. A. . . 34662 1 15 Alexander Arseniev A. S. . . 34662 1 16 Roman Efremov R. G. . . 34662 1 17 Eduard Bocharov E. V. . . 34662 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34662 _Assembly.ID 1 _Assembly.Name 'Insulin-like growth factor 1 receptor (E.C.2.7.10.1)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34662 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34662 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGLHVLLTATPVGLTLLIVL AALGFFYGKKR ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 31 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3243.968 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 34662 1 2 . GLY . 34662 1 3 . LEU . 34662 1 4 . HIS . 34662 1 5 . VAL . 34662 1 6 . LEU . 34662 1 7 . LEU . 34662 1 8 . THR . 34662 1 9 . ALA . 34662 1 10 . THR . 34662 1 11 . PRO . 34662 1 12 . VAL . 34662 1 13 . GLY . 34662 1 14 . LEU . 34662 1 15 . THR . 34662 1 16 . LEU . 34662 1 17 . LEU . 34662 1 18 . ILE . 34662 1 19 . VAL . 34662 1 20 . LEU . 34662 1 21 . ALA . 34662 1 22 . ALA . 34662 1 23 . LEU . 34662 1 24 . GLY . 34662 1 25 . PHE . 34662 1 26 . PHE . 34662 1 27 . TYR . 34662 1 28 . GLY . 34662 1 29 . LYS . 34662 1 30 . LYS . 34662 1 31 . ARG . 34662 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 . GLY 1 1 34662 1 . GLY 2 2 34662 1 . LEU 3 3 34662 1 . HIS 4 4 34662 1 . VAL 5 5 34662 1 . LEU 6 6 34662 1 . LEU 7 7 34662 1 . THR 8 8 34662 1 . ALA 9 9 34662 1 . THR 10 10 34662 1 . PRO 11 11 34662 1 . VAL 12 12 34662 1 . GLY 13 13 34662 1 . LEU 14 14 34662 1 . THR 15 15 34662 1 . LEU 16 16 34662 1 . LEU 17 17 34662 1 . ILE 18 18 34662 1 . VAL 19 19 34662 1 . LEU 20 20 34662 1 . ALA 21 21 34662 1 . ALA 22 22 34662 1 . LEU 23 23 34662 1 . GLY 24 24 34662 1 . PHE 25 25 34662 1 . PHE 26 26 34662 1 . TYR 27 27 34662 1 . GLY 28 28 34662 1 . LYS 29 29 34662 1 . LYS 30 30 34662 1 . ARG 31 31 34662 1 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 34662 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'INSRR, IRR' . 34662 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 34662 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . . . . . . . . 34662 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34662 _Sample.ID 1 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details '0.5 mM [U-100% 13C; U-100% 15N] IRRtm, 100 mM [U-99% 2H] DPC, 0.3 mM Sodium azide, 30 mM KH2PO4, 20 mM K2HPO4, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 IRRtm '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 34662 1 2 DPC '[U-99% 2H]' . . . . . . 100 . . mM . . . . 34662 1 3 'Sodium azide' 'natural abundance' . . . . . . 0.3 . . mM . . . . 34662 1 4 KH2PO4 'natural abundance' . . . . . . 30 . . mM . . . . 34662 1 5 K2HPO4 'natural abundance' . . . . . . 20 . . mM . . . . 34662 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 34662 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 34662 1 pH 6.7 . pH 34662 1 pressure 1 . atm 34662 1 temperature 313 . K 34662 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34662 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34662 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34662 1 'structure calculation' . 34662 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34662 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34662 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34662 2 'peak picking' . 34662 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34662 _Software.ID 3 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34662 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34662 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34662 _Software.ID 4 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 34662 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34662 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34662 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34662 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 34662 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AVANCE . 600 . . . 34662 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 800 . . . 34662 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 34662 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34662 1 2 '2D 1H-15N TROSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34662 1 3 '2D 1H-13C CT HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34662 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34662 1 5 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34662 1 6 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34662 1 7 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34662 1 8 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34662 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34662 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34662 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34662 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34662 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34662 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 34662 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34662 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34662 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34662 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34662 1 2 '2D 1H-15N TROSY' . . . 34662 1 3 '2D 1H-13C CT HSQC' . . . 34662 1 4 '2D 1H-13C HSQC' . . . 34662 1 5 '2D 1H-13C HSQC aromatic' . . . 34662 1 6 '3D HNCO' . . . 34662 1 7 '3D HNCA' . . . 34662 1 8 '3D HN(CO)CA' . . . 34662 1 9 '3D CBCA(CO)NH' . . . 34662 1 10 '3D HCCH-TOCSY' . . . 34662 1 11 '3D 1H-15N NOESY' . . . 34662 1 12 '3D 1H-13C NOESY aromatic' . . . 34662 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY HA2 H 1 3.989 0.020 . 1 . . . . A 11 GLY HA2 . 34662 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.989 0.020 . 1 . . . . A 11 GLY HA3 . 34662 1 3 . 1 . 1 1 1 GLY CA C 13 45.960 0.3 . 1 . . . . A 11 GLY CA . 34662 1 4 . 1 . 1 1 1 GLY N N 15 107.028 0.3 . 1 . . . . A 11 GLY N . 34662 1 5 . 1 . 1 2 2 GLY H H 1 8.393 0.020 . 1 . . . . A 12 GLY H . 34662 1 6 . 1 . 1 2 2 GLY HA2 H 1 4.033 0.020 . 1 . . . . A 12 GLY HA2 . 34662 1 7 . 1 . 1 2 2 GLY HA3 H 1 4.033 0.020 . 1 . . . . A 12 GLY HA3 . 34662 1 8 . 1 . 1 2 2 GLY CA C 13 45.932 0.3 . 1 . . . . A 12 GLY CA . 34662 1 9 . 1 . 1 2 2 GLY N N 15 108.294 0.3 . 1 . . . . A 12 GLY N . 34662 1 10 . 1 . 1 3 3 LEU H H 1 8.655 0.020 . 1 . . . . A 13 LEU H . 34662 1 11 . 1 . 1 3 3 LEU HA H 1 4.146 0.020 . 1 . . . . A 13 LEU HA . 34662 1 12 . 1 . 1 3 3 LEU HB2 H 1 1.737 0.020 . 2 . . . . A 13 LEU HB2 . 34662 1 13 . 1 . 1 3 3 LEU HB3 H 1 1.675 0.020 . 2 . . . . A 13 LEU HB3 . 34662 1 14 . 1 . 1 3 3 LEU HG H 1 1.828 0.020 . 1 . . . . A 13 LEU HG . 34662 1 15 . 1 . 1 3 3 LEU HD11 H 1 0.978 0.020 . 2 . . . . A 13 LEU HD11 . 34662 1 16 . 1 . 1 3 3 LEU HD12 H 1 0.978 0.020 . 2 . . . . A 13 LEU HD12 . 34662 1 17 . 1 . 1 3 3 LEU HD13 H 1 0.978 0.020 . 2 . . . . A 13 LEU HD13 . 34662 1 18 . 1 . 1 3 3 LEU HD21 H 1 0.960 0.020 . 2 . . . . A 13 LEU HD21 . 34662 1 19 . 1 . 1 3 3 LEU HD22 H 1 0.960 0.020 . 2 . . . . A 13 LEU HD22 . 34662 1 20 . 1 . 1 3 3 LEU HD23 H 1 0.960 0.020 . 2 . . . . A 13 LEU HD23 . 34662 1 21 . 1 . 1 3 3 LEU C C 13 177.887 0.3 . 1 . . . . A 13 LEU C . 34662 1 22 . 1 . 1 3 3 LEU CA C 13 57.564 0.3 . 1 . . . . A 13 LEU CA . 34662 1 23 . 1 . 1 3 3 LEU CB C 13 42.262 0.3 . 1 . . . . A 13 LEU CB . 34662 1 24 . 1 . 1 3 3 LEU CG C 13 27.047 0.3 . 1 . . . . A 13 LEU CG . 34662 1 25 . 1 . 1 3 3 LEU CD1 C 13 24.653 0.3 . 1 . . . . A 13 LEU CD1 . 34662 1 26 . 1 . 1 3 3 LEU CD2 C 13 24.437 0.3 . 1 . . . . A 13 LEU CD2 . 34662 1 27 . 1 . 1 3 3 LEU N N 15 121.492 0.3 . 1 . . . . A 13 LEU N . 34662 1 28 . 1 . 1 4 4 HIS H H 1 8.437 0.020 . 1 . . . . A 14 HIS H . 34662 1 29 . 1 . 1 4 4 HIS HA H 1 4.226 0.020 . 1 . . . . A 14 HIS HA . 34662 1 30 . 1 . 1 4 4 HIS HB2 H 1 3.277 0.020 . 2 . . . . A 14 HIS HB2 . 34662 1 31 . 1 . 1 4 4 HIS HB3 H 1 3.225 0.020 . 2 . . . . A 14 HIS HB3 . 34662 1 32 . 1 . 1 4 4 HIS HD2 H 1 7.032 0.020 . 1 . . . . A 14 HIS HD2 . 34662 1 33 . 1 . 1 4 4 HIS CA C 13 59.837 0.3 . 1 . . . . A 14 HIS CA . 34662 1 34 . 1 . 1 4 4 HIS CB C 13 30.370 0.3 . 1 . . . . A 14 HIS CB . 34662 1 35 . 1 . 1 4 4 HIS CD2 C 13 119.195 0.3 . 1 . . . . A 14 HIS CD2 . 34662 1 36 . 1 . 1 4 4 HIS N N 15 116.925 0.3 . 1 . . . . A 14 HIS N . 34662 1 37 . 1 . 1 5 5 VAL H H 1 7.534 0.020 . 1 . . . . A 15 VAL H . 34662 1 38 . 1 . 1 5 5 VAL HA H 1 3.816 0.020 . 1 . . . . A 15 VAL HA . 34662 1 39 . 1 . 1 5 5 VAL HB H 1 2.172 0.020 . 1 . . . . A 15 VAL HB . 34662 1 40 . 1 . 1 5 5 VAL HG11 H 1 1.001 0.020 . 2 . . . . A 15 VAL HG11 . 34662 1 41 . 1 . 1 5 5 VAL HG12 H 1 1.001 0.020 . 2 . . . . A 15 VAL HG12 . 34662 1 42 . 1 . 1 5 5 VAL HG13 H 1 1.001 0.020 . 2 . . . . A 15 VAL HG13 . 34662 1 43 . 1 . 1 5 5 VAL HG21 H 1 0.964 0.020 . 2 . . . . A 15 VAL HG21 . 34662 1 44 . 1 . 1 5 5 VAL HG22 H 1 0.964 0.020 . 2 . . . . A 15 VAL HG22 . 34662 1 45 . 1 . 1 5 5 VAL HG23 H 1 0.964 0.020 . 2 . . . . A 15 VAL HG23 . 34662 1 46 . 1 . 1 5 5 VAL C C 13 177.404 0.3 . 1 . . . . A 15 VAL C . 34662 1 47 . 1 . 1 5 5 VAL CA C 13 65.129 0.3 . 1 . . . . A 15 VAL CA . 34662 1 48 . 1 . 1 5 5 VAL CB C 13 31.800 0.3 . 1 . . . . A 15 VAL CB . 34662 1 49 . 1 . 1 5 5 VAL CG1 C 13 21.801 0.3 . 1 . . . . A 15 VAL CG1 . 34662 1 50 . 1 . 1 5 5 VAL CG2 C 13 21.189 0.3 . 1 . . . . A 15 VAL CG2 . 34662 1 51 . 1 . 1 5 5 VAL N N 15 118.836 0.3 . 1 . . . . A 15 VAL N . 34662 1 52 . 1 . 1 6 6 LEU H H 1 7.882 0.020 . 1 . . . . A 16 LEU H . 34662 1 53 . 1 . 1 6 6 LEU HA H 1 4.173 0.020 . 1 . . . . A 16 LEU HA . 34662 1 54 . 1 . 1 6 6 LEU HB2 H 1 1.893 0.020 . 2 . . . . A 16 LEU HB2 . 34662 1 55 . 1 . 1 6 6 LEU HB3 H 1 1.687 0.020 . 2 . . . . A 16 LEU HB3 . 34662 1 56 . 1 . 1 6 6 LEU HG H 1 1.836 0.020 . 1 . . . . A 16 LEU HG . 34662 1 57 . 1 . 1 6 6 LEU HD11 H 1 1.022 0.020 . 2 . . . . A 16 LEU HD11 . 34662 1 58 . 1 . 1 6 6 LEU HD12 H 1 1.022 0.020 . 2 . . . . A 16 LEU HD12 . 34662 1 59 . 1 . 1 6 6 LEU HD13 H 1 1.022 0.020 . 2 . . . . A 16 LEU HD13 . 34662 1 60 . 1 . 1 6 6 LEU HD21 H 1 0.927 0.020 . 2 . . . . A 16 LEU HD21 . 34662 1 61 . 1 . 1 6 6 LEU HD22 H 1 0.927 0.020 . 2 . . . . A 16 LEU HD22 . 34662 1 62 . 1 . 1 6 6 LEU HD23 H 1 0.927 0.020 . 2 . . . . A 16 LEU HD23 . 34662 1 63 . 1 . 1 6 6 LEU C C 13 178.140 0.3 . 1 . . . . A 16 LEU C . 34662 1 64 . 1 . 1 6 6 LEU CA C 13 57.438 0.3 . 1 . . . . A 16 LEU CA . 34662 1 65 . 1 . 1 6 6 LEU CB C 13 42.187 0.3 . 1 . . . . A 16 LEU CB . 34662 1 66 . 1 . 1 6 6 LEU CG C 13 27.213 0.3 . 1 . . . . A 16 LEU CG . 34662 1 67 . 1 . 1 6 6 LEU CD1 C 13 25.038 0.3 . 1 . . . . A 16 LEU CD1 . 34662 1 68 . 1 . 1 6 6 LEU CD2 C 13 24.751 0.3 . 1 . . . . A 16 LEU CD2 . 34662 1 69 . 1 . 1 6 6 LEU N N 15 119.819 0.3 . 1 . . . . A 16 LEU N . 34662 1 70 . 1 . 1 7 7 LEU H H 1 7.899 0.020 . 1 . . . . A 17 LEU H . 34662 1 71 . 1 . 1 7 7 LEU HA H 1 4.232 0.020 . 1 . . . . A 17 LEU HA . 34662 1 72 . 1 . 1 7 7 LEU HB2 H 1 1.921 0.020 . 2 . . . . A 17 LEU HB2 . 34662 1 73 . 1 . 1 7 7 LEU HB3 H 1 1.786 0.020 . 2 . . . . A 17 LEU HB3 . 34662 1 74 . 1 . 1 7 7 LEU HG H 1 1.851 0.020 . 1 . . . . A 17 LEU HG . 34662 1 75 . 1 . 1 7 7 LEU HD11 H 1 0.967 0.020 . 2 . . . . A 17 LEU HD11 . 34662 1 76 . 1 . 1 7 7 LEU HD12 H 1 0.967 0.020 . 2 . . . . A 17 LEU HD12 . 34662 1 77 . 1 . 1 7 7 LEU HD13 H 1 0.967 0.020 . 2 . . . . A 17 LEU HD13 . 34662 1 78 . 1 . 1 7 7 LEU HD21 H 1 0.898 0.020 . 2 . . . . A 17 LEU HD21 . 34662 1 79 . 1 . 1 7 7 LEU HD22 H 1 0.898 0.020 . 2 . . . . A 17 LEU HD22 . 34662 1 80 . 1 . 1 7 7 LEU HD23 H 1 0.898 0.020 . 2 . . . . A 17 LEU HD23 . 34662 1 81 . 1 . 1 7 7 LEU C C 13 177.048 0.3 . 1 . . . . A 17 LEU C . 34662 1 82 . 1 . 1 7 7 LEU CA C 13 56.589 0.3 . 1 . . . . A 17 LEU CA . 34662 1 83 . 1 . 1 7 7 LEU CB C 13 41.875 0.3 . 1 . . . . A 17 LEU CB . 34662 1 84 . 1 . 1 7 7 LEU CG C 13 27.145 0.3 . 1 . . . . A 17 LEU CG . 34662 1 85 . 1 . 1 7 7 LEU CD1 C 13 25.721 0.3 . 1 . . . . A 17 LEU CD1 . 34662 1 86 . 1 . 1 7 7 LEU CD2 C 13 23.393 0.3 . 1 . . . . A 17 LEU CD2 . 34662 1 87 . 1 . 1 7 7 LEU N N 15 115.439 0.3 . 1 . . . . A 17 LEU N . 34662 1 88 . 1 . 1 8 8 THR H H 1 7.568 0.020 . 1 . . . . A 18 THR H . 34662 1 89 . 1 . 1 8 8 THR HA H 1 4.418 0.020 . 1 . . . . A 18 THR HA . 34662 1 90 . 1 . 1 8 8 THR HB H 1 4.437 0.020 . 1 . . . . A 18 THR HB . 34662 1 91 . 1 . 1 8 8 THR HG21 H 1 1.253 0.020 . 1 . . . . A 18 THR HG21 . 34662 1 92 . 1 . 1 8 8 THR HG22 H 1 1.253 0.020 . 1 . . . . A 18 THR HG22 . 34662 1 93 . 1 . 1 8 8 THR HG23 H 1 1.253 0.020 . 1 . . . . A 18 THR HG23 . 34662 1 94 . 1 . 1 8 8 THR CA C 13 62.657 0.3 . 1 . . . . A 18 THR CA . 34662 1 95 . 1 . 1 8 8 THR CB C 13 69.921 0.3 . 1 . . . . A 18 THR CB . 34662 1 96 . 1 . 1 8 8 THR CG2 C 13 22.000 0.3 . 1 . . . . A 18 THR CG2 . 34662 1 97 . 1 . 1 8 8 THR N N 15 106.601 0.3 . 1 . . . . A 18 THR N . 34662 1 98 . 1 . 1 9 9 ALA H H 1 8.067 0.020 . 1 . . . . A 19 ALA H . 34662 1 99 . 1 . 1 9 9 ALA HA H 1 4.492 0.020 . 1 . . . . A 19 ALA HA . 34662 1 100 . 1 . 1 9 9 ALA HB1 H 1 1.562 0.020 . 1 . . . . A 19 ALA HB1 . 34662 1 101 . 1 . 1 9 9 ALA HB2 H 1 1.562 0.020 . 1 . . . . A 19 ALA HB2 . 34662 1 102 . 1 . 1 9 9 ALA HB3 H 1 1.562 0.020 . 1 . . . . A 19 ALA HB3 . 34662 1 103 . 1 . 1 9 9 ALA C C 13 177.579 0.3 . 1 . . . . A 19 ALA C . 34662 1 104 . 1 . 1 9 9 ALA CA C 13 53.071 0.3 . 1 . . . . A 19 ALA CA . 34662 1 105 . 1 . 1 9 9 ALA CB C 13 19.743 0.3 . 1 . . . . A 19 ALA CB . 34662 1 106 . 1 . 1 9 9 ALA N N 15 122.625 0.3 . 1 . . . . A 19 ALA N . 34662 1 107 . 1 . 1 10 10 THR H H 1 7.950 0.020 . 1 . . . . A 20 THR H . 34662 1 108 . 1 . 1 10 10 THR HA H 1 4.488 0.020 . 1 . . . . A 20 THR HA . 34662 1 109 . 1 . 1 10 10 THR HB H 1 4.541 0.020 . 1 . . . . A 20 THR HB . 34662 1 110 . 1 . 1 10 10 THR HG21 H 1 1.359 0.020 . 1 . . . . A 20 THR HG21 . 34662 1 111 . 1 . 1 10 10 THR HG22 H 1 1.359 0.020 . 1 . . . . A 20 THR HG22 . 34662 1 112 . 1 . 1 10 10 THR HG23 H 1 1.359 0.020 . 1 . . . . A 20 THR HG23 . 34662 1 113 . 1 . 1 10 10 THR CA C 13 62.210 0.3 . 1 . . . . A 20 THR CA . 34662 1 114 . 1 . 1 10 10 THR CB C 13 68.824 0.3 . 1 . . . . A 20 THR CB . 34662 1 115 . 1 . 1 10 10 THR CG2 C 13 21.841 0.3 . 1 . . . . A 20 THR CG2 . 34662 1 116 . 1 . 1 10 10 THR N N 15 111.480 0.3 . 1 . . . . A 20 THR N . 34662 1 117 . 1 . 1 11 11 PRO HA H 1 4.423 0.020 . 1 . . . . A 21 PRO HA . 34662 1 118 . 1 . 1 11 11 PRO HB2 H 1 2.382 0.020 . 2 . . . . A 21 PRO HB2 . 34662 1 119 . 1 . 1 11 11 PRO HB3 H 1 2.022 0.020 . 2 . . . . A 21 PRO HB3 . 34662 1 120 . 1 . 1 11 11 PRO HG2 H 1 2.088 0.020 . 2 . . . . A 21 PRO HG2 . 34662 1 121 . 1 . 1 11 11 PRO HG3 H 1 2.242 0.020 . 2 . . . . A 21 PRO HG3 . 34662 1 122 . 1 . 1 11 11 PRO HD2 H 1 3.928 0.020 . 2 . . . . A 21 PRO HD2 . 34662 1 123 . 1 . 1 11 11 PRO HD3 H 1 3.903 0.020 . 2 . . . . A 21 PRO HD3 . 34662 1 124 . 1 . 1 11 11 PRO CA C 13 65.020 0.3 . 1 . . . . A 21 PRO CA . 34662 1 125 . 1 . 1 11 11 PRO CB C 13 31.967 0.3 . 1 . . . . A 21 PRO CB . 34662 1 126 . 1 . 1 11 11 PRO CG C 13 28.131 0.3 . 1 . . . . A 21 PRO CG . 34662 1 127 . 1 . 1 11 11 PRO CD C 13 50.691 0.3 . 1 . . . . A 21 PRO CD . 34662 1 128 . 1 . 1 12 12 VAL H H 1 8.144 0.020 . 1 . . . . A 22 VAL H . 34662 1 129 . 1 . 1 12 12 VAL HA H 1 3.689 0.020 . 1 . . . . A 22 VAL HA . 34662 1 130 . 1 . 1 12 12 VAL HB H 1 2.203 0.020 . 1 . . . . A 22 VAL HB . 34662 1 131 . 1 . 1 12 12 VAL HG11 H 1 1.121 0.020 . 2 . . . . A 22 VAL HG11 . 34662 1 132 . 1 . 1 12 12 VAL HG12 H 1 1.121 0.020 . 2 . . . . A 22 VAL HG12 . 34662 1 133 . 1 . 1 12 12 VAL HG13 H 1 1.121 0.020 . 2 . . . . A 22 VAL HG13 . 34662 1 134 . 1 . 1 12 12 VAL HG21 H 1 0.942 0.020 . 2 . . . . A 22 VAL HG21 . 34662 1 135 . 1 . 1 12 12 VAL HG22 H 1 0.942 0.020 . 2 . . . . A 22 VAL HG22 . 34662 1 136 . 1 . 1 12 12 VAL HG23 H 1 0.942 0.020 . 2 . . . . A 22 VAL HG23 . 34662 1 137 . 1 . 1 12 12 VAL C C 13 175.014 0.3 . 1 . . . . A 22 VAL C . 34662 1 138 . 1 . 1 12 12 VAL CA C 13 66.766 0.3 . 1 . . . . A 22 VAL CA . 34662 1 139 . 1 . 1 12 12 VAL CB C 13 31.573 0.3 . 1 . . . . A 22 VAL CB . 34662 1 140 . 1 . 1 12 12 VAL CG1 C 13 23.193 0.3 . 1 . . . . A 22 VAL CG1 . 34662 1 141 . 1 . 1 12 12 VAL CG2 C 13 21.285 0.3 . 1 . . . . A 22 VAL CG2 . 34662 1 142 . 1 . 1 12 12 VAL N N 15 119.142 0.3 . 1 . . . . A 22 VAL N . 34662 1 143 . 1 . 1 13 13 GLY H H 1 8.230 0.020 . 1 . . . . A 23 GLY H . 34662 1 144 . 1 . 1 13 13 GLY HA2 H 1 3.944 0.020 . 2 . . . . A 23 GLY HA2 . 34662 1 145 . 1 . 1 13 13 GLY HA3 H 1 3.736 0.020 . 2 . . . . A 23 GLY HA3 . 34662 1 146 . 1 . 1 13 13 GLY CA C 13 47.870 0.3 . 1 . . . . A 23 GLY CA . 34662 1 147 . 1 . 1 13 13 GLY N N 15 107.165 0.3 . 1 . . . . A 23 GLY N . 34662 1 148 . 1 . 1 14 14 LEU H H 1 8.217 0.020 . 1 . . . . A 24 LEU H . 34662 1 149 . 1 . 1 14 14 LEU HA H 1 4.135 0.020 . 1 . . . . A 24 LEU HA . 34662 1 150 . 1 . 1 14 14 LEU HB2 H 1 1.719 0.020 . 2 . . . . A 24 LEU HB2 . 34662 1 151 . 1 . 1 14 14 LEU HB3 H 1 1.679 0.020 . 2 . . . . A 24 LEU HB3 . 34662 1 152 . 1 . 1 14 14 LEU HG H 1 1.796 0.020 . 1 . . . . A 24 LEU HG . 34662 1 153 . 1 . 1 14 14 LEU HD11 H 1 0.937 0.020 . 2 . . . . A 24 LEU HD11 . 34662 1 154 . 1 . 1 14 14 LEU HD12 H 1 0.937 0.020 . 2 . . . . A 24 LEU HD12 . 34662 1 155 . 1 . 1 14 14 LEU HD13 H 1 0.937 0.020 . 2 . . . . A 24 LEU HD13 . 34662 1 156 . 1 . 1 14 14 LEU HD21 H 1 0.930 0.020 . 2 . . . . A 24 LEU HD21 . 34662 1 157 . 1 . 1 14 14 LEU HD22 H 1 0.930 0.020 . 2 . . . . A 24 LEU HD22 . 34662 1 158 . 1 . 1 14 14 LEU HD23 H 1 0.930 0.020 . 2 . . . . A 24 LEU HD23 . 34662 1 159 . 1 . 1 14 14 LEU C C 13 177.903 0.3 . 1 . . . . A 24 LEU C . 34662 1 160 . 1 . 1 14 14 LEU CA C 13 57.948 0.3 . 1 . . . . A 24 LEU CA . 34662 1 161 . 1 . 1 14 14 LEU CB C 13 42.151 0.3 . 1 . . . . A 24 LEU CB . 34662 1 162 . 1 . 1 14 14 LEU CG C 13 27.235 0.3 . 1 . . . . A 24 LEU CG . 34662 1 163 . 1 . 1 14 14 LEU CD1 C 13 24.634 0.3 . 1 . . . . A 24 LEU CD1 . 34662 1 164 . 1 . 1 14 14 LEU CD2 C 13 24.132 0.3 . 1 . . . . A 24 LEU CD2 . 34662 1 165 . 1 . 1 14 14 LEU N N 15 119.216 0.3 . 1 . . . . A 24 LEU N . 34662 1 166 . 1 . 1 15 15 THR H H 1 7.799 0.020 . 1 . . . . A 25 THR H . 34662 1 167 . 1 . 1 15 15 THR HA H 1 4.292 0.020 . 1 . . . . A 25 THR HA . 34662 1 168 . 1 . 1 15 15 THR HB H 1 3.737 0.020 . 1 . . . . A 25 THR HB . 34662 1 169 . 1 . 1 15 15 THR HG21 H 1 1.154 0.020 . 1 . . . . A 25 THR HG21 . 34662 1 170 . 1 . 1 15 15 THR HG22 H 1 1.154 0.020 . 1 . . . . A 25 THR HG22 . 34662 1 171 . 1 . 1 15 15 THR HG23 H 1 1.154 0.020 . 1 . . . . A 25 THR HG23 . 34662 1 172 . 1 . 1 15 15 THR CA C 13 66.685 0.3 . 1 . . . . A 25 THR CA . 34662 1 173 . 1 . 1 15 15 THR CB C 13 67.925 0.3 . 1 . . . . A 25 THR CB . 34662 1 174 . 1 . 1 15 15 THR CG2 C 13 21.566 0.3 . 1 . . . . A 25 THR CG2 . 34662 1 175 . 1 . 1 15 15 THR N N 15 114.457 0.3 . 1 . . . . A 25 THR N . 34662 1 176 . 1 . 1 16 16 LEU H H 1 8.096 0.020 . 1 . . . . A 26 LEU H . 34662 1 177 . 1 . 1 16 16 LEU HA H 1 3.964 0.020 . 1 . . . . A 26 LEU HA . 34662 1 178 . 1 . 1 16 16 LEU HB2 H 1 1.863 0.020 . 2 . . . . A 26 LEU HB2 . 34662 1 179 . 1 . 1 16 16 LEU HB3 H 1 1.706 0.020 . 2 . . . . A 26 LEU HB3 . 34662 1 180 . 1 . 1 16 16 LEU HG H 1 1.876 0.020 . 1 . . . . A 26 LEU HG . 34662 1 181 . 1 . 1 16 16 LEU HD11 H 1 0.876 0.020 . 2 . . . . A 26 LEU HD11 . 34662 1 182 . 1 . 1 16 16 LEU HD12 H 1 0.876 0.020 . 2 . . . . A 26 LEU HD12 . 34662 1 183 . 1 . 1 16 16 LEU HD13 H 1 0.876 0.020 . 2 . . . . A 26 LEU HD13 . 34662 1 184 . 1 . 1 16 16 LEU HD21 H 1 1.081 0.020 . 2 . . . . A 26 LEU HD21 . 34662 1 185 . 1 . 1 16 16 LEU HD22 H 1 1.081 0.020 . 2 . . . . A 26 LEU HD22 . 34662 1 186 . 1 . 1 16 16 LEU HD23 H 1 1.081 0.020 . 2 . . . . A 26 LEU HD23 . 34662 1 187 . 1 . 1 16 16 LEU C C 13 177.895 0.3 . 1 . . . . A 26 LEU C . 34662 1 188 . 1 . 1 16 16 LEU CA C 13 58.331 0.3 . 1 . . . . A 26 LEU CA . 34662 1 189 . 1 . 1 16 16 LEU CB C 13 41.703 0.3 . 1 . . . . A 26 LEU CB . 34662 1 190 . 1 . 1 16 16 LEU CG C 13 26.913 0.3 . 1 . . . . A 26 LEU CG . 34662 1 191 . 1 . 1 16 16 LEU CD1 C 13 24.235 0.3 . 1 . . . . A 26 LEU CD1 . 34662 1 192 . 1 . 1 16 16 LEU CD2 C 13 23.121 0.3 . 1 . . . . A 26 LEU CD2 . 34662 1 193 . 1 . 1 16 16 LEU N N 15 119.587 0.3 . 1 . . . . A 26 LEU N . 34662 1 194 . 1 . 1 17 17 LEU H H 1 7.950 0.020 . 1 . . . . A 27 LEU H . 34662 1 195 . 1 . 1 17 17 LEU HA H 1 4.022 0.020 . 1 . . . . A 27 LEU HA . 34662 1 196 . 1 . 1 17 17 LEU HB2 H 1 1.863 0.020 . 2 . . . . A 27 LEU HB2 . 34662 1 197 . 1 . 1 17 17 LEU HB3 H 1 1.696 0.020 . 2 . . . . A 27 LEU HB3 . 34662 1 198 . 1 . 1 17 17 LEU HG H 1 1.811 0.020 . 1 . . . . A 27 LEU HG . 34662 1 199 . 1 . 1 17 17 LEU HD11 H 1 0.996 0.020 . 2 . . . . A 27 LEU HD11 . 34662 1 200 . 1 . 1 17 17 LEU HD12 H 1 0.996 0.020 . 2 . . . . A 27 LEU HD12 . 34662 1 201 . 1 . 1 17 17 LEU HD13 H 1 0.996 0.020 . 2 . . . . A 27 LEU HD13 . 34662 1 202 . 1 . 1 17 17 LEU HD21 H 1 0.867 0.020 . 2 . . . . A 27 LEU HD21 . 34662 1 203 . 1 . 1 17 17 LEU HD22 H 1 0.867 0.020 . 2 . . . . A 27 LEU HD22 . 34662 1 204 . 1 . 1 17 17 LEU HD23 H 1 0.867 0.020 . 2 . . . . A 27 LEU HD23 . 34662 1 205 . 1 . 1 17 17 LEU C C 13 177.957 0.3 . 1 . . . . A 27 LEU C . 34662 1 206 . 1 . 1 17 17 LEU CA C 13 58.660 0.3 . 1 . . . . A 27 LEU CA . 34662 1 207 . 1 . 1 17 17 LEU CB C 13 42.171 0.3 . 1 . . . . A 27 LEU CB . 34662 1 208 . 1 . 1 17 17 LEU CG C 13 26.935 0.3 . 1 . . . . A 27 LEU CG . 34662 1 209 . 1 . 1 17 17 LEU CD1 C 13 25.376 0.3 . 1 . . . . A 27 LEU CD1 . 34662 1 210 . 1 . 1 17 17 LEU CD2 C 13 24.084 0.3 . 1 . . . . A 27 LEU CD2 . 34662 1 211 . 1 . 1 17 17 LEU N N 15 117.811 0.3 . 1 . . . . A 27 LEU N . 34662 1 212 . 1 . 1 18 18 ILE H H 1 8.020 0.020 . 1 . . . . A 28 ILE H . 34662 1 213 . 1 . 1 18 18 ILE HA H 1 3.669 0.020 . 1 . . . . A 28 ILE HA . 34662 1 214 . 1 . 1 18 18 ILE HB H 1 2.114 0.020 . 1 . . . . A 28 ILE HB . 34662 1 215 . 1 . 1 18 18 ILE HG12 H 1 1.895 0.020 . 2 . . . . A 28 ILE HG12 . 34662 1 216 . 1 . 1 18 18 ILE HG13 H 1 1.139 0.020 . 2 . . . . A 28 ILE HG13 . 34662 1 217 . 1 . 1 18 18 ILE HG21 H 1 0.919 0.020 . 1 . . . . A 28 ILE HG21 . 34662 1 218 . 1 . 1 18 18 ILE HG22 H 1 0.919 0.020 . 1 . . . . A 28 ILE HG22 . 34662 1 219 . 1 . 1 18 18 ILE HG23 H 1 0.919 0.020 . 1 . . . . A 28 ILE HG23 . 34662 1 220 . 1 . 1 18 18 ILE HD11 H 1 0.843 0.020 . 1 . . . . A 28 ILE HD11 . 34662 1 221 . 1 . 1 18 18 ILE HD12 H 1 0.843 0.020 . 1 . . . . A 28 ILE HD12 . 34662 1 222 . 1 . 1 18 18 ILE HD13 H 1 0.843 0.020 . 1 . . . . A 28 ILE HD13 . 34662 1 223 . 1 . 1 18 18 ILE C C 13 177.428 0.3 . 1 . . . . A 28 ILE C . 34662 1 224 . 1 . 1 18 18 ILE CA C 13 65.425 0.3 . 1 . . . . A 28 ILE CA . 34662 1 225 . 1 . 1 18 18 ILE CB C 13 37.432 0.3 . 1 . . . . A 28 ILE CB . 34662 1 226 . 1 . 1 18 18 ILE CG1 C 13 29.512 0.3 . 1 . . . . A 28 ILE CG1 . 34662 1 227 . 1 . 1 18 18 ILE CG2 C 13 17.221 0.3 . 1 . . . . A 28 ILE CG2 . 34662 1 228 . 1 . 1 18 18 ILE CD1 C 13 13.029 0.3 . 1 . . . . A 28 ILE CD1 . 34662 1 229 . 1 . 1 18 18 ILE N N 15 117.668 0.3 . 1 . . . . A 28 ILE N . 34662 1 230 . 1 . 1 19 19 VAL H H 1 8.247 0.020 . 1 . . . . A 29 VAL H . 34662 1 231 . 1 . 1 19 19 VAL HA H 1 3.611 0.020 . 1 . . . . A 29 VAL HA . 34662 1 232 . 1 . 1 19 19 VAL HB H 1 2.294 0.020 . 1 . . . . A 29 VAL HB . 34662 1 233 . 1 . 1 19 19 VAL HG11 H 1 1.004 0.020 . 2 . . . . A 29 VAL HG11 . 34662 1 234 . 1 . 1 19 19 VAL HG12 H 1 1.004 0.020 . 2 . . . . A 29 VAL HG12 . 34662 1 235 . 1 . 1 19 19 VAL HG13 H 1 1.004 0.020 . 2 . . . . A 29 VAL HG13 . 34662 1 236 . 1 . 1 19 19 VAL HG21 H 1 0.970 0.020 . 2 . . . . A 29 VAL HG21 . 34662 1 237 . 1 . 1 19 19 VAL HG22 H 1 0.970 0.020 . 2 . . . . A 29 VAL HG22 . 34662 1 238 . 1 . 1 19 19 VAL HG23 H 1 0.970 0.020 . 2 . . . . A 29 VAL HG23 . 34662 1 239 . 1 . 1 19 19 VAL C C 13 177.697 0.3 . 1 . . . . A 29 VAL C . 34662 1 240 . 1 . 1 19 19 VAL CA C 13 67.484 0.3 . 1 . . . . A 29 VAL CA . 34662 1 241 . 1 . 1 19 19 VAL CB C 13 31.456 0.3 . 1 . . . . A 29 VAL CB . 34662 1 242 . 1 . 1 19 19 VAL CG1 C 13 21.439 0.3 . 1 . . . . A 29 VAL CG1 . 34662 1 243 . 1 . 1 19 19 VAL CG2 C 13 21.435 0.3 . 1 . . . . A 29 VAL CG2 . 34662 1 244 . 1 . 1 19 19 VAL N N 15 118.983 0.3 . 1 . . . . A 29 VAL N . 34662 1 245 . 1 . 1 20 20 LEU H H 1 8.539 0.020 . 1 . . . . A 30 LEU H . 34662 1 246 . 1 . 1 20 20 LEU HA H 1 4.080 0.020 . 1 . . . . A 30 LEU HA . 34662 1 247 . 1 . 1 20 20 LEU HB2 H 1 2.020 0.020 . 2 . . . . A 30 LEU HB2 . 34662 1 248 . 1 . 1 20 20 LEU HB3 H 1 1.494 0.020 . 2 . . . . A 30 LEU HB3 . 34662 1 249 . 1 . 1 20 20 LEU HG H 1 1.977 0.020 . 1 . . . . A 30 LEU HG . 34662 1 250 . 1 . 1 20 20 LEU HD11 H 1 0.865 0.020 . 2 . . . . A 30 LEU HD11 . 34662 1 251 . 1 . 1 20 20 LEU HD12 H 1 0.865 0.020 . 2 . . . . A 30 LEU HD12 . 34662 1 252 . 1 . 1 20 20 LEU HD13 H 1 0.865 0.020 . 2 . . . . A 30 LEU HD13 . 34662 1 253 . 1 . 1 20 20 LEU HD21 H 1 0.859 0.020 . 2 . . . . A 30 LEU HD21 . 34662 1 254 . 1 . 1 20 20 LEU HD22 H 1 0.859 0.020 . 2 . . . . A 30 LEU HD22 . 34662 1 255 . 1 . 1 20 20 LEU HD23 H 1 0.859 0.020 . 2 . . . . A 30 LEU HD23 . 34662 1 256 . 1 . 1 20 20 LEU C C 13 178.758 0.3 . 1 . . . . A 30 LEU C . 34662 1 257 . 1 . 1 20 20 LEU CA C 13 58.482 0.3 . 1 . . . . A 30 LEU CA . 34662 1 258 . 1 . 1 20 20 LEU CB C 13 41.663 0.3 . 1 . . . . A 30 LEU CB . 34662 1 259 . 1 . 1 20 20 LEU CG C 13 26.909 0.3 . 1 . . . . A 30 LEU CG . 34662 1 260 . 1 . 1 20 20 LEU CD1 C 13 25.237 0.3 . 1 . . . . A 30 LEU CD1 . 34662 1 261 . 1 . 1 20 20 LEU CD2 C 13 23.130 0.3 . 1 . . . . A 30 LEU CD2 . 34662 1 262 . 1 . 1 20 20 LEU N N 15 118.382 0.3 . 1 . . . . A 30 LEU N . 34662 1 263 . 1 . 1 21 21 ALA H H 1 8.593 0.020 . 1 . . . . A 31 ALA H . 34662 1 264 . 1 . 1 21 21 ALA HA H 1 4.066 0.020 . 1 . . . . A 31 ALA HA . 34662 1 265 . 1 . 1 21 21 ALA HB1 H 1 1.523 0.020 . 1 . . . . A 31 ALA HB1 . 34662 1 266 . 1 . 1 21 21 ALA HB2 H 1 1.523 0.020 . 1 . . . . A 31 ALA HB2 . 34662 1 267 . 1 . 1 21 21 ALA HB3 H 1 1.523 0.020 . 1 . . . . A 31 ALA HB3 . 34662 1 268 . 1 . 1 21 21 ALA C C 13 179.066 0.3 . 1 . . . . A 31 ALA C . 34662 1 269 . 1 . 1 21 21 ALA CA C 13 55.426 0.3 . 1 . . . . A 31 ALA CA . 34662 1 270 . 1 . 1 21 21 ALA CB C 13 18.007 0.3 . 1 . . . . A 31 ALA CB . 34662 1 271 . 1 . 1 21 21 ALA N N 15 120.507 0.3 . 1 . . . . A 31 ALA N . 34662 1 272 . 1 . 1 22 22 ALA H H 1 8.647 0.020 . 1 . . . . A 32 ALA H . 34662 1 273 . 1 . 1 22 22 ALA HA H 1 4.150 0.020 . 1 . . . . A 32 ALA HA . 34662 1 274 . 1 . 1 22 22 ALA HB1 H 1 1.645 0.020 . 1 . . . . A 32 ALA HB1 . 34662 1 275 . 1 . 1 22 22 ALA HB2 H 1 1.645 0.020 . 1 . . . . A 32 ALA HB2 . 34662 1 276 . 1 . 1 22 22 ALA HB3 H 1 1.645 0.020 . 1 . . . . A 32 ALA HB3 . 34662 1 277 . 1 . 1 22 22 ALA C C 13 179.771 0.3 . 1 . . . . A 32 ALA C . 34662 1 278 . 1 . 1 22 22 ALA CA C 13 55.771 0.3 . 1 . . . . A 32 ALA CA . 34662 1 279 . 1 . 1 22 22 ALA CB C 13 18.228 0.3 . 1 . . . . A 32 ALA CB . 34662 1 280 . 1 . 1 22 22 ALA N N 15 119.694 0.3 . 1 . . . . A 32 ALA N . 34662 1 281 . 1 . 1 23 23 LEU H H 1 8.700 0.020 . 1 . . . . A 33 LEU H . 34662 1 282 . 1 . 1 23 23 LEU HA H 1 4.290 0.020 . 1 . . . . A 33 LEU HA . 34662 1 283 . 1 . 1 23 23 LEU HB2 H 1 2.140 0.020 . 2 . . . . A 33 LEU HB2 . 34662 1 284 . 1 . 1 23 23 LEU HB3 H 1 1.627 0.020 . 2 . . . . A 33 LEU HB3 . 34662 1 285 . 1 . 1 23 23 LEU HG H 1 2.099 0.020 . 1 . . . . A 33 LEU HG . 34662 1 286 . 1 . 1 23 23 LEU HD11 H 1 0.954 0.020 . 2 . . . . A 33 LEU HD11 . 34662 1 287 . 1 . 1 23 23 LEU HD12 H 1 0.954 0.020 . 2 . . . . A 33 LEU HD12 . 34662 1 288 . 1 . 1 23 23 LEU HD13 H 1 0.954 0.020 . 2 . . . . A 33 LEU HD13 . 34662 1 289 . 1 . 1 23 23 LEU HD21 H 1 0.990 0.020 . 2 . . . . A 33 LEU HD21 . 34662 1 290 . 1 . 1 23 23 LEU HD22 H 1 0.990 0.020 . 2 . . . . A 33 LEU HD22 . 34662 1 291 . 1 . 1 23 23 LEU HD23 H 1 0.990 0.020 . 2 . . . . A 33 LEU HD23 . 34662 1 292 . 1 . 1 23 23 LEU C C 13 179.597 0.3 . 1 . . . . A 33 LEU C . 34662 1 293 . 1 . 1 23 23 LEU CA C 13 58.589 0.3 . 1 . . . . A 33 LEU CA . 34662 1 294 . 1 . 1 23 23 LEU CB C 13 42.163 0.3 . 1 . . . . A 33 LEU CB . 34662 1 295 . 1 . 1 23 23 LEU CG C 13 26.984 0.3 . 1 . . . . A 33 LEU CG . 34662 1 296 . 1 . 1 23 23 LEU CD1 C 13 25.617 0.3 . 1 . . . . A 33 LEU CD1 . 34662 1 297 . 1 . 1 23 23 LEU CD2 C 13 23.854 0.3 . 1 . . . . A 33 LEU CD2 . 34662 1 298 . 1 . 1 23 23 LEU N N 15 117.713 0.3 . 1 . . . . A 33 LEU N . 34662 1 299 . 1 . 1 24 24 GLY H H 1 8.982 0.020 . 1 . . . . A 34 GLY H . 34662 1 300 . 1 . 1 24 24 GLY HA2 H 1 3.712 0.020 . 2 . . . . A 34 GLY HA2 . 34662 1 301 . 1 . 1 24 24 GLY HA3 H 1 3.819 0.020 . 2 . . . . A 34 GLY HA3 . 34662 1 302 . 1 . 1 24 24 GLY C C 13 175.133 0.3 . 1 . . . . A 34 GLY C . 34662 1 303 . 1 . 1 24 24 GLY CA C 13 47.826 0.3 . 1 . . . . A 34 GLY CA . 34662 1 304 . 1 . 1 24 24 GLY N N 15 106.784 0.3 . 1 . . . . A 34 GLY N . 34662 1 305 . 1 . 1 25 25 PHE H H 1 8.795 0.020 . 1 . . . . A 35 PHE H . 34662 1 306 . 1 . 1 25 25 PHE HA H 1 4.229 0.020 . 1 . . . . A 35 PHE HA . 34662 1 307 . 1 . 1 25 25 PHE HB2 H 1 3.143 0.020 . 2 . . . . A 35 PHE HB2 . 34662 1 308 . 1 . 1 25 25 PHE HB3 H 1 3.184 0.020 . 2 . . . . A 35 PHE HB3 . 34662 1 309 . 1 . 1 25 25 PHE HD1 H 1 7.341 0.020 . 1 . . . . A 35 PHE HD1 . 34662 1 310 . 1 . 1 25 25 PHE HD2 H 1 7.341 0.020 . 1 . . . . A 35 PHE HD2 . 34662 1 311 . 1 . 1 25 25 PHE HE1 H 1 7.377 0.020 . 1 . . . . A 35 PHE HE1 . 34662 1 312 . 1 . 1 25 25 PHE HE2 H 1 7.377 0.020 . 1 . . . . A 35 PHE HE2 . 34662 1 313 . 1 . 1 25 25 PHE HZ H 1 7.324 0.020 . 1 . . . . A 35 PHE HZ . 34662 1 314 . 1 . 1 25 25 PHE C C 13 177.199 0.3 . 1 . . . . A 35 PHE C . 34662 1 315 . 1 . 1 25 25 PHE CA C 13 61.806 0.3 . 1 . . . . A 35 PHE CA . 34662 1 316 . 1 . 1 25 25 PHE CB C 13 39.826 0.3 . 1 . . . . A 35 PHE CB . 34662 1 317 . 1 . 1 25 25 PHE CD1 C 13 131.982 0.3 . 1 . . . . A 35 PHE CD1 . 34662 1 318 . 1 . 1 25 25 PHE CD2 C 13 131.982 0.3 . 1 . . . . A 35 PHE CD2 . 34662 1 319 . 1 . 1 25 25 PHE CE1 C 13 131.081 0.3 . 1 . . . . A 35 PHE CE1 . 34662 1 320 . 1 . 1 25 25 PHE CE2 C 13 131.081 0.3 . 1 . . . . A 35 PHE CE2 . 34662 1 321 . 1 . 1 25 25 PHE CZ C 13 129.566 0.3 . 1 . . . . A 35 PHE CZ . 34662 1 322 . 1 . 1 25 25 PHE N N 15 121.374 0.3 . 1 . . . . A 35 PHE N . 34662 1 323 . 1 . 1 26 26 PHE H H 1 8.656 0.020 . 1 . . . . A 36 PHE H . 34662 1 324 . 1 . 1 26 26 PHE HA H 1 4.204 0.020 . 1 . . . . A 36 PHE HA . 34662 1 325 . 1 . 1 26 26 PHE HB2 H 1 3.210 0.020 . 2 . . . . A 36 PHE HB2 . 34662 1 326 . 1 . 1 26 26 PHE HB3 H 1 3.148 0.020 . 2 . . . . A 36 PHE HB3 . 34662 1 327 . 1 . 1 26 26 PHE HD1 H 1 7.172 0.020 . 1 . . . . A 36 PHE HD1 . 34662 1 328 . 1 . 1 26 26 PHE HD2 H 1 7.172 0.020 . 1 . . . . A 36 PHE HD2 . 34662 1 329 . 1 . 1 26 26 PHE HE1 H 1 7.203 0.020 . 1 . . . . A 36 PHE HE1 . 34662 1 330 . 1 . 1 26 26 PHE HE2 H 1 7.203 0.020 . 1 . . . . A 36 PHE HE2 . 34662 1 331 . 1 . 1 26 26 PHE HZ H 1 7.286 0.020 . 1 . . . . A 36 PHE HZ . 34662 1 332 . 1 . 1 26 26 PHE C C 13 177.547 0.3 . 1 . . . . A 36 PHE C . 34662 1 333 . 1 . 1 26 26 PHE CA C 13 61.791 0.3 . 1 . . . . A 36 PHE CA . 34662 1 334 . 1 . 1 26 26 PHE CB C 13 39.675 0.3 . 1 . . . . A 36 PHE CB . 34662 1 335 . 1 . 1 26 26 PHE CD1 C 13 132.750 0.3 . 1 . . . . A 36 PHE CD1 . 34662 1 336 . 1 . 1 26 26 PHE CD2 C 13 132.750 0.3 . 1 . . . . A 36 PHE CD2 . 34662 1 337 . 1 . 1 26 26 PHE CE1 C 13 131.032 0.3 . 1 . . . . A 36 PHE CE1 . 34662 1 338 . 1 . 1 26 26 PHE CE2 C 13 131.032 0.3 . 1 . . . . A 36 PHE CE2 . 34662 1 339 . 1 . 1 26 26 PHE CZ C 13 129.594 0.3 . 1 . . . . A 36 PHE CZ . 34662 1 340 . 1 . 1 26 26 PHE N N 15 116.614 0.3 . 1 . . . . A 36 PHE N . 34662 1 341 . 1 . 1 27 27 TYR H H 1 8.774 0.020 . 1 . . . . A 37 TYR H . 34662 1 342 . 1 . 1 27 27 TYR HA H 1 4.333 0.020 . 1 . . . . A 37 TYR HA . 34662 1 343 . 1 . 1 27 27 TYR HB2 H 1 3.209 0.020 . 2 . . . . A 37 TYR HB2 . 34662 1 344 . 1 . 1 27 27 TYR HB3 H 1 3.146 0.020 . 2 . . . . A 37 TYR HB3 . 34662 1 345 . 1 . 1 27 27 TYR HD1 H 1 6.892 0.020 . 1 . . . . A 37 TYR HD1 . 34662 1 346 . 1 . 1 27 27 TYR HD2 H 1 6.892 0.020 . 1 . . . . A 37 TYR HD2 . 34662 1 347 . 1 . 1 27 27 TYR HE1 H 1 6.863 0.020 . 1 . . . . A 37 TYR HE1 . 34662 1 348 . 1 . 1 27 27 TYR HE2 H 1 6.863 0.020 . 1 . . . . A 37 TYR HE2 . 34662 1 349 . 1 . 1 27 27 TYR C C 13 177.191 0.3 . 1 . . . . A 37 TYR C . 34662 1 350 . 1 . 1 27 27 TYR CA C 13 61.005 0.3 . 1 . . . . A 37 TYR CA . 34662 1 351 . 1 . 1 27 27 TYR CB C 13 39.254 0.3 . 1 . . . . A 37 TYR CB . 34662 1 352 . 1 . 1 27 27 TYR CD1 C 13 131.676 0.3 . 1 . . . . A 37 TYR CD1 . 34662 1 353 . 1 . 1 27 27 TYR CD2 C 13 131.676 0.3 . 1 . . . . A 37 TYR CD2 . 34662 1 354 . 1 . 1 27 27 TYR CE1 C 13 118.127 0.3 . 1 . . . . A 37 TYR CE1 . 34662 1 355 . 1 . 1 27 27 TYR CE2 C 13 118.127 0.3 . 1 . . . . A 37 TYR CE2 . 34662 1 356 . 1 . 1 27 27 TYR N N 15 117.486 0.3 . 1 . . . . A 37 TYR N . 34662 1 357 . 1 . 1 28 28 GLY H H 1 8.301 0.020 . 1 . . . . A 38 GLY H . 34662 1 358 . 1 . 1 28 28 GLY HA2 H 1 3.806 0.020 . 2 . . . . A 38 GLY HA2 . 34662 1 359 . 1 . 1 28 28 GLY HA3 H 1 3.909 0.020 . 2 . . . . A 38 GLY HA3 . 34662 1 360 . 1 . 1 28 28 GLY C C 13 174.064 0.3 . 1 . . . . A 38 GLY C . 34662 1 361 . 1 . 1 28 28 GLY CA C 13 46.404 0.3 . 1 . . . . A 38 GLY CA . 34662 1 362 . 1 . 1 28 28 GLY N N 15 106.265 0.3 . 1 . . . . A 38 GLY N . 34662 1 363 . 1 . 1 29 29 LYS H H 1 7.653 0.020 . 1 . . . . A 39 LYS H . 34662 1 364 . 1 . 1 29 29 LYS HA H 1 4.290 0.020 . 1 . . . . A 39 LYS HA . 34662 1 365 . 1 . 1 29 29 LYS HB2 H 1 1.757 0.020 . 2 . . . . A 39 LYS HB2 . 34662 1 366 . 1 . 1 29 29 LYS HB3 H 1 1.882 0.020 . 2 . . . . A 39 LYS HB3 . 34662 1 367 . 1 . 1 29 29 LYS HG2 H 1 1.355 0.020 . 1 . . . . A 39 LYS HG2 . 34662 1 368 . 1 . 1 29 29 LYS HG3 H 1 1.355 0.020 . 1 . . . . A 39 LYS HG3 . 34662 1 369 . 1 . 1 29 29 LYS C C 13 176.423 0.3 . 1 . . . . A 39 LYS C . 34662 1 370 . 1 . 1 29 29 LYS CA C 13 56.168 0.3 . 1 . . . . A 39 LYS CA . 34662 1 371 . 1 . 1 29 29 LYS CB C 13 32.788 0.3 . 1 . . . . A 39 LYS CB . 34662 1 372 . 1 . 1 29 29 LYS N N 15 118.468 0.3 . 1 . . . . A 39 LYS N . 34662 1 373 . 1 . 1 30 30 LYS H H 1 7.986 0.020 . 1 . . . . A 40 LYS H . 34662 1 374 . 1 . 1 30 30 LYS HA H 1 4.315 0.020 . 1 . . . . A 40 LYS HA . 34662 1 375 . 1 . 1 30 30 LYS HB2 H 1 1.850 0.020 . 2 . . . . A 40 LYS HB2 . 34662 1 376 . 1 . 1 30 30 LYS HB3 H 1 1.723 0.020 . 2 . . . . A 40 LYS HB3 . 34662 1 377 . 1 . 1 30 30 LYS HG2 H 1 1.424 0.020 . 1 . . . . A 40 LYS HG2 . 34662 1 378 . 1 . 1 30 30 LYS HG3 H 1 1.424 0.020 . 1 . . . . A 40 LYS HG3 . 34662 1 379 . 1 . 1 30 30 LYS C C 13 175.624 0.3 . 1 . . . . A 40 LYS C . 34662 1 380 . 1 . 1 30 30 LYS CA C 13 56.375 0.3 . 1 . . . . A 40 LYS CA . 34662 1 381 . 1 . 1 30 30 LYS CB C 13 31.527 0.3 . 1 . . . . A 40 LYS CB . 34662 1 382 . 1 . 1 30 30 LYS N N 15 121.583 0.3 . 1 . . . . A 40 LYS N . 34662 1 383 . 1 . 1 31 31 ARG H H 1 7.788 0.020 . 1 . . . . A 41 ARG H . 34662 1 384 . 1 . 1 31 31 ARG HA H 1 4.289 0.020 . 1 . . . . A 41 ARG HA . 34662 1 385 . 1 . 1 31 31 ARG HB2 H 1 1.693 0.020 . 2 . . . . A 41 ARG HB2 . 34662 1 386 . 1 . 1 31 31 ARG HB3 H 1 1.601 0.020 . 2 . . . . A 41 ARG HB3 . 34662 1 387 . 1 . 1 31 31 ARG HG2 H 1 1.450 0.020 . 1 . . . . A 41 ARG HG2 . 34662 1 388 . 1 . 1 31 31 ARG HD2 H 1 2.975 0.020 . 1 . . . . A 41 ARG HD2 . 34662 1 389 . 1 . 1 31 31 ARG HD3 H 1 2.975 0.020 . 1 . . . . A 41 ARG HD3 . 34662 1 390 . 1 . 1 31 31 ARG C C 13 172.735 0.3 . 1 . . . . A 41 ARG C . 34662 1 391 . 1 . 1 31 31 ARG CA C 13 56.372 0.3 . 1 . . . . A 41 ARG CA . 34662 1 392 . 1 . 1 31 31 ARG CB C 13 29.004 0.3 . 1 . . . . A 41 ARG CB . 34662 1 393 . 1 . 1 31 31 ARG CG C 13 24.626 0.3 . 1 . . . . A 41 ARG CG . 34662 1 394 . 1 . 1 31 31 ARG CD C 13 42.259 0.3 . 1 . . . . A 41 ARG CD . 34662 1 395 . 1 . 1 31 31 ARG N N 15 127.376 0.3 . 1 . . . . A 41 ARG N . 34662 1 stop_ save_