data_34656 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34656 _Entry.Title ; Structure of Insulin-like growth factor 1 receptor's transmembrane domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-08-16 _Entry.Accession_date 2021-08-16 _Entry.Last_release_date 2022-08-17 _Entry.Original_release_date 2022-08-17 _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. . . 34656 2 K. Nadezhdin K. D. . . 34656 3 O. Bocharova O. V. . . 34656 4 E. Bocharov E. V. . . 34656 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID IGF1R . 34656 'Insulin-like growth factor 1 receptor' . 34656 PROTEIN . 34656 RECEPTOR . 34656 'TRANSMEMBRANE DOMAIN' . 34656 Transferase . 34656 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34656 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 158 34656 '15N chemical shifts' 31 34656 '1H chemical shifts' 265 34656 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 2021-08-16 update BMRB 'update entry citation' 34656 1 . . 2022-08-22 2021-08-16 original author 'original release' 34656 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7PH8 'BMRB Entry Tracking System' 34656 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34656 _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. . . 34656 1 2 Andrey Kuznetsov A. S. . . 34656 1 3 Aisha Idiatullina A. R. . . 34656 1 4 Olga Bocharova O. V. . . 34656 1 5 Sofya Dolotova S. M. . . 34656 1 6 Alina Gavrilenkova A. A. . . 34656 1 7 Oxana Serova O. V. . . 34656 1 8 Igor Deyev I. E. . . 34656 1 9 Tatiana Rakitina T. V. . . 34656 1 10 Olga Zangieva O. T. . . 34656 1 11 Konstantin Pavlov K. V. . . 34656 1 12 Oleg Batishchev O. V. . . 34656 1 13 Vladimir Britikov V. V. . . 34656 1 14 Sergey Usanov S. A. . . 34656 1 15 Alexander Arseniev A. S. . . 34656 1 16 Roman Efremov R. G. . . 34656 1 17 Eduard Bocharov E. V. . . 34656 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34656 _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 . . . . . . 34656 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34656 _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 ; NFIHLIIALPVAVLLIVGGL VIMLYVFHRKR ; _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 2.7.10.1 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3534.460 _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 'IGF-I receptor' common 34656 1 'Insulin-like growth factor I receptor' common 34656 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 1 932 ASN . 34656 1 2 933 PHE . 34656 1 3 934 ILE . 34656 1 4 935 HIS . 34656 1 5 936 LEU . 34656 1 6 937 ILE . 34656 1 7 938 ILE . 34656 1 8 939 ALA . 34656 1 9 940 LEU . 34656 1 10 941 PRO . 34656 1 11 942 VAL . 34656 1 12 943 ALA . 34656 1 13 944 VAL . 34656 1 14 945 LEU . 34656 1 15 946 LEU . 34656 1 16 947 ILE . 34656 1 17 948 VAL . 34656 1 18 949 GLY . 34656 1 19 950 GLY . 34656 1 20 951 LEU . 34656 1 21 952 VAL . 34656 1 22 953 ILE . 34656 1 23 954 MET . 34656 1 24 955 LEU . 34656 1 25 956 TYR . 34656 1 26 957 VAL . 34656 1 27 958 PHE . 34656 1 28 959 HIS . 34656 1 29 960 ARG . 34656 1 30 961 LYS . 34656 1 31 962 ARG . 34656 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 . ASN 1 1 34656 1 . PHE 2 2 34656 1 . ILE 3 3 34656 1 . HIS 4 4 34656 1 . LEU 5 5 34656 1 . ILE 6 6 34656 1 . ILE 7 7 34656 1 . ALA 8 8 34656 1 . LEU 9 9 34656 1 . PRO 10 10 34656 1 . VAL 11 11 34656 1 . ALA 12 12 34656 1 . VAL 13 13 34656 1 . LEU 14 14 34656 1 . LEU 15 15 34656 1 . ILE 16 16 34656 1 . VAL 17 17 34656 1 . GLY 18 18 34656 1 . GLY 19 19 34656 1 . LEU 20 20 34656 1 . VAL 21 21 34656 1 . ILE 22 22 34656 1 . MET 23 23 34656 1 . LEU 24 24 34656 1 . TYR 25 25 34656 1 . VAL 26 26 34656 1 . PHE 27 27 34656 1 . HIS 28 28 34656 1 . ARG 29 29 34656 1 . LYS 30 30 34656 1 . ARG 31 31 34656 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 34656 _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 . . . . . . . . . . . IGF1R . 34656 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 34656 _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 . . . . . . . . . . . . 34656 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34656 _Sample.ID 1 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details '0.5 mM [U-100% 13C; U-100% 15N] IGF1Rtm, 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 IGF1Rtm '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 34656 1 2 DPC '[U-99% 2H]' . . . . . . 100 . . mM . . . . 34656 1 3 'sodium azide' 'natural abundance' . . . . . . 0.3 . . mM . . . . 34656 1 4 KH2PO4 'natural abundance' . . . . . . 30 . . mM . . . . 34656 1 5 K2HPO4 'natural abundance' . . . . . . 20 . . mM . . . . 34656 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 34656 _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 34656 1 pH 6.7 . pH 34656 1 pressure 1 . atm 34656 1 temperature 313 . K 34656 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34656 _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' . . 34656 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34656 1 'structure calculation' . 34656 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34656 _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' . . 34656 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34656 2 'peak picking' . 34656 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34656 _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' . . 34656 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34656 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34656 _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' . . 34656 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34656 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 34656 _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_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34656 _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 . . . 34656 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 34656 _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 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34656 1 2 '2D 1H-15N TROSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34656 1 3 '2D 1H-13C CT HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34656 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34656 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34656 1 6 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34656 1 7 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34656 1 8 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34656 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34656 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34656 1 11 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34656 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34656 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 34656 _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 . . . . . 34656 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34656 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34656 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 34656 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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' . . . 34656 1 2 '2D 1H-15N TROSY' . . . 34656 1 3 '2D 1H-13C CT HSQC' . . . 34656 1 4 '2D 1H-13C HSQC' . . . 34656 1 5 '3D CBCA(CO)NH' . . . 34656 1 6 '3D HNCO' . . . 34656 1 7 '3D HNCA' . . . 34656 1 8 '3D HN(CO)CA' . . . 34656 1 9 '3D HCCH-TOCSY' . . . 34656 1 10 '3D 1H-15N NOESY' . . . 34656 1 11 '2D 1H-13C HSQC aromatic' . . . 34656 1 12 '3D 1H-13C NOESY aromatic' . . . 34656 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 ASN HA H 1 4.505 0.020 . 1 . . . . A 932 ASN HA . 34656 1 2 . 1 . 1 1 1 ASN HB2 H 1 2.791 0.020 . 2 . . . . A 932 ASN HB2 . 34656 1 3 . 1 . 1 1 1 ASN HB3 H 1 2.847 0.020 . 2 . . . . A 932 ASN HB3 . 34656 1 4 . 1 . 1 1 1 ASN HD21 H 1 7.550 0.020 . 1 . . . . A 932 ASN HD21 . 34656 1 5 . 1 . 1 1 1 ASN HD22 H 1 6.736 0.020 . 1 . . . . A 932 ASN HD22 . 34656 1 6 . 1 . 1 1 1 ASN C C 13 175.439 0.3 . 1 . . . . A 932 ASN C . 34656 1 7 . 1 . 1 1 1 ASN CA C 13 52.749 0.3 . 1 . . . . A 932 ASN CA . 34656 1 8 . 1 . 1 1 1 ASN CB C 13 38.983 0.3 . 1 . . . . A 932 ASN CB . 34656 1 9 . 1 . 1 1 1 ASN N N 15 121.632 0.3 . 1 . . . . A 932 ASN N . 34656 1 10 . 1 . 1 1 1 ASN ND2 N 15 112.352 0.3 . 1 . . . . A 932 ASN ND2 . 34656 1 11 . 1 . 1 2 2 PHE H H 1 8.681 0.020 . 1 . . . . A 933 PHE H . 34656 1 12 . 1 . 1 2 2 PHE HA H 1 4.395 0.020 . 1 . . . . A 933 PHE HA . 34656 1 13 . 1 . 1 2 2 PHE HB2 H 1 3.289 0.020 . 1 . . . . A 933 PHE HB2 . 34656 1 14 . 1 . 1 2 2 PHE HB3 H 1 3.289 0.020 . 1 . . . . A 933 PHE HB3 . 34656 1 15 . 1 . 1 2 2 PHE HD1 H 1 7.324 0.020 . 1 . . . . A 933 PHE HD1 . 34656 1 16 . 1 . 1 2 2 PHE HD2 H 1 7.324 0.020 . 1 . . . . A 933 PHE HD2 . 34656 1 17 . 1 . 1 2 2 PHE HE1 H 1 7.334 0.020 . 1 . . . . A 933 PHE HE1 . 34656 1 18 . 1 . 1 2 2 PHE HE2 H 1 7.334 0.020 . 1 . . . . A 933 PHE HE2 . 34656 1 19 . 1 . 1 2 2 PHE HZ H 1 7.322 0.020 . 1 . . . . A 933 PHE HZ . 34656 1 20 . 1 . 1 2 2 PHE C C 13 176.389 0.3 . 1 . . . . A 933 PHE C . 34656 1 21 . 1 . 1 2 2 PHE CA C 13 60.347 0.3 . 1 . . . . A 933 PHE CA . 34656 1 22 . 1 . 1 2 2 PHE CB C 13 38.977 0.3 . 1 . . . . A 933 PHE CB . 34656 1 23 . 1 . 1 2 2 PHE CD1 C 13 131.581 0.3 . 1 . . . . A 933 PHE CD1 . 34656 1 24 . 1 . 1 2 2 PHE CD2 C 13 131.581 0.3 . 1 . . . . A 933 PHE CD2 . 34656 1 25 . 1 . 1 2 2 PHE CE1 C 13 131.013 0.3 . 1 . . . . A 933 PHE CE1 . 34656 1 26 . 1 . 1 2 2 PHE CE2 C 13 131.013 0.3 . 1 . . . . A 933 PHE CE2 . 34656 1 27 . 1 . 1 2 2 PHE CZ C 13 129.591 0.3 . 1 . . . . A 933 PHE CZ . 34656 1 28 . 1 . 1 2 2 PHE N N 15 120.534 0.3 . 1 . . . . A 933 PHE N . 34656 1 29 . 1 . 1 3 3 ILE H H 1 8.058 0.020 . 1 . . . . A 934 ILE H . 34656 1 30 . 1 . 1 3 3 ILE HA H 1 3.834 0.020 . 1 . . . . A 934 ILE HA . 34656 1 31 . 1 . 1 3 3 ILE HB H 1 1.985 0.020 . 1 . . . . A 934 ILE HB . 34656 1 32 . 1 . 1 3 3 ILE HG12 H 1 1.522 0.020 . 1 . . . . A 934 ILE HG12 . 34656 1 33 . 1 . 1 3 3 ILE HG13 H 1 1.522 0.020 . 1 . . . . A 934 ILE HG13 . 34656 1 34 . 1 . 1 3 3 ILE HG21 H 1 0.880 0.020 . 1 . . . . A 934 ILE HG21 . 34656 1 35 . 1 . 1 3 3 ILE HG22 H 1 0.880 0.020 . 1 . . . . A 934 ILE HG22 . 34656 1 36 . 1 . 1 3 3 ILE HG23 H 1 0.880 0.020 . 1 . . . . A 934 ILE HG23 . 34656 1 37 . 1 . 1 3 3 ILE HD11 H 1 0.948 0.020 . 1 . . . . A 934 ILE HD11 . 34656 1 38 . 1 . 1 3 3 ILE HD12 H 1 0.948 0.020 . 1 . . . . A 934 ILE HD12 . 34656 1 39 . 1 . 1 3 3 ILE HD13 H 1 0.948 0.020 . 1 . . . . A 934 ILE HD13 . 34656 1 40 . 1 . 1 3 3 ILE C C 13 176.066 0.3 . 1 . . . . A 934 ILE C . 34656 1 41 . 1 . 1 3 3 ILE CA C 13 63.099 0.3 . 1 . . . . A 934 ILE CA . 34656 1 42 . 1 . 1 3 3 ILE CB C 13 36.736 0.3 . 1 . . . . A 934 ILE CB . 34656 1 43 . 1 . 1 3 3 ILE CG1 C 13 28.470 0.3 . 1 . . . . A 934 ILE CG1 . 34656 1 44 . 1 . 1 3 3 ILE CG2 C 13 17.569 0.3 . 1 . . . . A 934 ILE CG2 . 34656 1 45 . 1 . 1 3 3 ILE CD1 C 13 12.535 0.3 . 1 . . . . A 934 ILE CD1 . 34656 1 46 . 1 . 1 3 3 ILE N N 15 117.866 0.3 . 1 . . . . A 934 ILE N . 34656 1 47 . 1 . 1 4 4 HIS H H 1 7.682 0.020 . 1 . . . . A 935 HIS H . 34656 1 48 . 1 . 1 4 4 HIS HA H 1 4.348 0.020 . 1 . . . . A 935 HIS HA . 34656 1 49 . 1 . 1 4 4 HIS HB2 H 1 3.370 0.020 . 2 . . . . A 935 HIS HB2 . 34656 1 50 . 1 . 1 4 4 HIS HB3 H 1 3.154 0.020 . 2 . . . . A 935 HIS HB3 . 34656 1 51 . 1 . 1 4 4 HIS HD2 H 1 6.815 0.020 . 1 . . . . A 935 HIS HD2 . 34656 1 52 . 1 . 1 4 4 HIS HE1 H 1 7.988 0.020 . 1 . . . . A 935 HIS HE1 . 34656 1 53 . 1 . 1 4 4 HIS C C 13 176.497 0.3 . 1 . . . . A 935 HIS C . 34656 1 54 . 1 . 1 4 4 HIS CA C 13 58.690 0.3 . 1 . . . . A 935 HIS CA . 34656 1 55 . 1 . 1 4 4 HIS CB C 13 30.662 0.3 . 1 . . . . A 935 HIS CB . 34656 1 56 . 1 . 1 4 4 HIS CD2 C 13 116.927 0.3 . 1 . . . . A 935 HIS CD2 . 34656 1 57 . 1 . 1 4 4 HIS CE1 C 13 137.968 0.3 . 1 . . . . A 935 HIS CE1 . 34656 1 58 . 1 . 1 4 4 HIS N N 15 117.399 0.3 . 1 . . . . A 935 HIS N . 34656 1 59 . 1 . 1 5 5 LEU H H 1 7.606 0.020 . 1 . . . . A 936 LEU H . 34656 1 60 . 1 . 1 5 5 LEU HA H 1 4.109 0.020 . 1 . . . . A 936 LEU HA . 34656 1 61 . 1 . 1 5 5 LEU HB2 H 1 1.748 0.020 . 2 . . . . A 936 LEU HB2 . 34656 1 62 . 1 . 1 5 5 LEU HB3 H 1 1.873 0.020 . 2 . . . . A 936 LEU HB3 . 34656 1 63 . 1 . 1 5 5 LEU HG H 1 1.741 0.020 . 1 . . . . A 936 LEU HG . 34656 1 64 . 1 . 1 5 5 LEU HD11 H 1 1.015 0.020 . 2 . . . . A 936 LEU HD11 . 34656 1 65 . 1 . 1 5 5 LEU HD12 H 1 1.015 0.020 . 2 . . . . A 936 LEU HD12 . 34656 1 66 . 1 . 1 5 5 LEU HD13 H 1 1.015 0.020 . 2 . . . . A 936 LEU HD13 . 34656 1 67 . 1 . 1 5 5 LEU HD21 H 1 0.964 0.020 . 2 . . . . A 936 LEU HD21 . 34656 1 68 . 1 . 1 5 5 LEU HD22 H 1 0.964 0.020 . 2 . . . . A 936 LEU HD22 . 34656 1 69 . 1 . 1 5 5 LEU HD23 H 1 0.964 0.020 . 2 . . . . A 936 LEU HD23 . 34656 1 70 . 1 . 1 5 5 LEU C C 13 177.022 0.3 . 1 . . . . A 936 LEU C . 34656 1 71 . 1 . 1 5 5 LEU CA C 13 57.519 0.3 . 1 . . . . A 936 LEU CA . 34656 1 72 . 1 . 1 5 5 LEU CB C 13 41.820 0.3 . 1 . . . . A 936 LEU CB . 34656 1 73 . 1 . 1 5 5 LEU CG C 13 26.874 0.3 . 1 . . . . A 936 LEU CG . 34656 1 74 . 1 . 1 5 5 LEU CD1 C 13 24.924 0.3 . 1 . . . . A 936 LEU CD1 . 34656 1 75 . 1 . 1 5 5 LEU CD2 C 13 24.067 0.3 . 1 . . . . A 936 LEU CD2 . 34656 1 76 . 1 . 1 5 5 LEU N N 15 117.562 0.3 . 1 . . . . A 936 LEU N . 34656 1 77 . 1 . 1 6 6 ILE H H 1 7.801 0.020 . 1 . . . . A 937 ILE H . 34656 1 78 . 1 . 1 6 6 ILE HA H 1 3.824 0.020 . 1 . . . . A 937 ILE HA . 34656 1 79 . 1 . 1 6 6 ILE HB H 1 2.023 0.020 . 1 . . . . A 937 ILE HB . 34656 1 80 . 1 . 1 6 6 ILE HG12 H 1 1.670 0.020 . 2 . . . . A 937 ILE HG12 . 34656 1 81 . 1 . 1 6 6 ILE HG13 H 1 1.276 0.020 . 2 . . . . A 937 ILE HG13 . 34656 1 82 . 1 . 1 6 6 ILE HG21 H 1 0.957 0.020 . 1 . . . . A 937 ILE HG21 . 34656 1 83 . 1 . 1 6 6 ILE HG22 H 1 0.957 0.020 . 1 . . . . A 937 ILE HG22 . 34656 1 84 . 1 . 1 6 6 ILE HG23 H 1 0.957 0.020 . 1 . . . . A 937 ILE HG23 . 34656 1 85 . 1 . 1 6 6 ILE HD11 H 1 0.906 0.020 . 1 . . . . A 937 ILE HD11 . 34656 1 86 . 1 . 1 6 6 ILE HD12 H 1 0.906 0.020 . 1 . . . . A 937 ILE HD12 . 34656 1 87 . 1 . 1 6 6 ILE HD13 H 1 0.906 0.020 . 1 . . . . A 937 ILE HD13 . 34656 1 88 . 1 . 1 6 6 ILE C C 13 175.208 0.3 . 1 . . . . A 937 ILE C . 34656 1 89 . 1 . 1 6 6 ILE CA C 13 63.691 0.3 . 1 . . . . A 937 ILE CA . 34656 1 90 . 1 . 1 6 6 ILE CB C 13 37.234 0.3 . 1 . . . . A 937 ILE CB . 34656 1 91 . 1 . 1 6 6 ILE CG1 C 13 28.506 0.3 . 1 . . . . A 937 ILE CG1 . 34656 1 92 . 1 . 1 6 6 ILE CG2 C 13 17.752 0.3 . 1 . . . . A 937 ILE CG2 . 34656 1 93 . 1 . 1 6 6 ILE CD1 C 13 13.209 0.3 . 1 . . . . A 937 ILE CD1 . 34656 1 94 . 1 . 1 6 6 ILE N N 15 115.894 0.3 . 1 . . . . A 937 ILE N . 34656 1 95 . 1 . 1 7 7 ILE H H 1 7.419 0.020 . 1 . . . . A 938 ILE H . 34656 1 96 . 1 . 1 7 7 ILE HA H 1 3.959 0.020 . 1 . . . . A 938 ILE HA . 34656 1 97 . 1 . 1 7 7 ILE HB H 1 1.970 0.020 . 1 . . . . A 938 ILE HB . 34656 1 98 . 1 . 1 7 7 ILE HG12 H 1 1.862 0.020 . 2 . . . . A 938 ILE HG12 . 34656 1 99 . 1 . 1 7 7 ILE HG13 H 1 1.296 0.020 . 2 . . . . A 938 ILE HG13 . 34656 1 100 . 1 . 1 7 7 ILE HG21 H 1 0.983 0.020 . 1 . . . . A 938 ILE HG21 . 34656 1 101 . 1 . 1 7 7 ILE HG22 H 1 0.983 0.020 . 1 . . . . A 938 ILE HG22 . 34656 1 102 . 1 . 1 7 7 ILE HG23 H 1 0.983 0.020 . 1 . . . . A 938 ILE HG23 . 34656 1 103 . 1 . 1 7 7 ILE HD11 H 1 0.932 0.020 . 1 . . . . A 938 ILE HD11 . 34656 1 104 . 1 . 1 7 7 ILE HD12 H 1 0.932 0.020 . 1 . . . . A 938 ILE HD12 . 34656 1 105 . 1 . 1 7 7 ILE HD13 H 1 0.932 0.020 . 1 . . . . A 938 ILE HD13 . 34656 1 106 . 1 . 1 7 7 ILE C C 13 175.430 0.3 . 1 . . . . A 938 ILE C . 34656 1 107 . 1 . 1 7 7 ILE CA C 13 63.041 0.3 . 1 . . . . A 938 ILE CA . 34656 1 108 . 1 . 1 7 7 ILE CB C 13 37.958 0.3 . 1 . . . . A 938 ILE CB . 34656 1 109 . 1 . 1 7 7 ILE CG1 C 13 28.429 0.3 . 1 . . . . A 938 ILE CG1 . 34656 1 110 . 1 . 1 7 7 ILE CG2 C 13 17.711 0.3 . 1 . . . . A 938 ILE CG2 . 34656 1 111 . 1 . 1 7 7 ILE CD1 C 13 13.492 0.3 . 1 . . . . A 938 ILE CD1 . 34656 1 112 . 1 . 1 7 7 ILE N N 15 114.550 0.3 . 1 . . . . A 938 ILE N . 34656 1 113 . 1 . 1 8 8 ALA H H 1 7.878 0.020 . 1 . . . . A 939 ALA H . 34656 1 114 . 1 . 1 8 8 ALA HA H 1 4.061 0.020 . 1 . . . . A 939 ALA HA . 34656 1 115 . 1 . 1 8 8 ALA HB1 H 1 1.529 0.020 . 1 . . . . A 939 ALA HB1 . 34656 1 116 . 1 . 1 8 8 ALA HB2 H 1 1.529 0.020 . 1 . . . . A 939 ALA HB2 . 34656 1 117 . 1 . 1 8 8 ALA HB3 H 1 1.529 0.020 . 1 . . . . A 939 ALA HB3 . 34656 1 118 . 1 . 1 8 8 ALA C C 13 178.427 0.3 . 1 . . . . A 939 ALA C . 34656 1 119 . 1 . 1 8 8 ALA CA C 13 54.156 0.3 . 1 . . . . A 939 ALA CA . 34656 1 120 . 1 . 1 8 8 ALA CB C 13 18.964 0.3 . 1 . . . . A 939 ALA CB . 34656 1 121 . 1 . 1 8 8 ALA N N 15 118.001 0.3 . 1 . . . . A 939 ALA N . 34656 1 122 . 1 . 1 9 9 LEU H H 1 8.001 0.020 . 1 . . . . A 940 LEU H . 34656 1 123 . 1 . 1 9 9 LEU HA H 1 4.321 0.020 . 1 . . . . A 940 LEU HA . 34656 1 124 . 1 . 1 9 9 LEU HB2 H 1 1.955 0.020 . 2 . . . . A 940 LEU HB2 . 34656 1 125 . 1 . 1 9 9 LEU HB3 H 1 1.751 0.020 . 2 . . . . A 940 LEU HB3 . 34656 1 126 . 1 . 1 9 9 LEU HG H 1 1.833 0.020 . 1 . . . . A 940 LEU HG . 34656 1 127 . 1 . 1 9 9 LEU HD11 H 1 0.979 0.020 . 2 . . . . A 940 LEU HD11 . 34656 1 128 . 1 . 1 9 9 LEU HD12 H 1 0.979 0.020 . 2 . . . . A 940 LEU HD12 . 34656 1 129 . 1 . 1 9 9 LEU HD13 H 1 0.979 0.020 . 2 . . . . A 940 LEU HD13 . 34656 1 130 . 1 . 1 9 9 LEU HD21 H 1 0.934 0.020 . 2 . . . . A 940 LEU HD21 . 34656 1 131 . 1 . 1 9 9 LEU HD22 H 1 0.934 0.020 . 2 . . . . A 940 LEU HD22 . 34656 1 132 . 1 . 1 9 9 LEU HD23 H 1 0.934 0.020 . 2 . . . . A 940 LEU HD23 . 34656 1 133 . 1 . 1 9 9 LEU CA C 13 58.714 0.3 . 1 . . . . A 940 LEU CA . 34656 1 134 . 1 . 1 9 9 LEU CB C 13 39.382 0.3 . 1 . . . . A 940 LEU CB . 34656 1 135 . 1 . 1 9 9 LEU CG C 13 26.602 0.3 . 1 . . . . A 940 LEU CG . 34656 1 136 . 1 . 1 9 9 LEU CD1 C 13 24.511 0.3 . 1 . . . . A 940 LEU CD1 . 34656 1 137 . 1 . 1 9 9 LEU CD2 C 13 23.981 0.3 . 1 . . . . A 940 LEU CD2 . 34656 1 138 . 1 . 1 9 9 LEU N N 15 115.789 0.3 . 1 . . . . A 940 LEU N . 34656 1 139 . 1 . 1 10 10 PRO HA H 1 4.171 0.020 . 1 . . . . A 941 PRO HA . 34656 1 140 . 1 . 1 10 10 PRO HB2 H 1 2.119 0.020 . 2 . . . . A 941 PRO HB2 . 34656 1 141 . 1 . 1 10 10 PRO HB3 H 1 1.840 0.020 . 2 . . . . A 941 PRO HB3 . 34656 1 142 . 1 . 1 10 10 PRO HG2 H 1 2.397 0.020 . 2 . . . . A 941 PRO HG2 . 34656 1 143 . 1 . 1 10 10 PRO HG3 H 1 1.897 0.020 . 2 . . . . A 941 PRO HG3 . 34656 1 144 . 1 . 1 10 10 PRO HD2 H 1 3.523 0.020 . 2 . . . . A 941 PRO HD2 . 34656 1 145 . 1 . 1 10 10 PRO HD3 H 1 4.215 0.020 . 2 . . . . A 941 PRO HD3 . 34656 1 146 . 1 . 1 10 10 PRO CA C 13 65.707 0.3 . 1 . . . . A 941 PRO CA . 34656 1 147 . 1 . 1 10 10 PRO CB C 13 30.804 0.3 . 1 . . . . A 941 PRO CB . 34656 1 148 . 1 . 1 10 10 PRO CG C 13 28.072 0.3 . 1 . . . . A 941 PRO CG . 34656 1 149 . 1 . 1 10 10 PRO CD C 13 49.830 0.3 . 1 . . . . A 941 PRO CD . 34656 1 150 . 1 . 1 11 11 VAL H H 1 7.135 0.020 . 1 . . . . A 942 VAL H . 34656 1 151 . 1 . 1 11 11 VAL HA H 1 3.541 0.020 . 1 . . . . A 942 VAL HA . 34656 1 152 . 1 . 1 11 11 VAL HB H 1 2.237 0.020 . 1 . . . . A 942 VAL HB . 34656 1 153 . 1 . 1 11 11 VAL HG11 H 1 1.081 0.020 . 2 . . . . A 942 VAL HG11 . 34656 1 154 . 1 . 1 11 11 VAL HG12 H 1 1.081 0.020 . 2 . . . . A 942 VAL HG12 . 34656 1 155 . 1 . 1 11 11 VAL HG13 H 1 1.081 0.020 . 2 . . . . A 942 VAL HG13 . 34656 1 156 . 1 . 1 11 11 VAL HG21 H 1 0.922 0.020 . 2 . . . . A 942 VAL HG21 . 34656 1 157 . 1 . 1 11 11 VAL HG22 H 1 0.922 0.020 . 2 . . . . A 942 VAL HG22 . 34656 1 158 . 1 . 1 11 11 VAL HG23 H 1 0.922 0.020 . 2 . . . . A 942 VAL HG23 . 34656 1 159 . 1 . 1 11 11 VAL C C 13 176.194 0.3 . 1 . . . . A 942 VAL C . 34656 1 160 . 1 . 1 11 11 VAL CA C 13 66.715 0.3 . 1 . . . . A 942 VAL CA . 34656 1 161 . 1 . 1 11 11 VAL CB C 13 30.994 0.3 . 1 . . . . A 942 VAL CB . 34656 1 162 . 1 . 1 11 11 VAL CG1 C 13 22.921 0.3 . 1 . . . . A 942 VAL CG1 . 34656 1 163 . 1 . 1 11 11 VAL CG2 C 13 21.056 0.3 . 1 . . . . A 942 VAL CG2 . 34656 1 164 . 1 . 1 11 11 VAL N N 15 115.277 0.3 . 1 . . . . A 942 VAL N . 34656 1 165 . 1 . 1 12 12 ALA H H 1 8.504 0.020 . 1 . . . . A 943 ALA H . 34656 1 166 . 1 . 1 12 12 ALA HA H 1 3.962 0.020 . 1 . . . . A 943 ALA HA . 34656 1 167 . 1 . 1 12 12 ALA HB1 H 1 1.500 0.020 . 1 . . . . A 943 ALA HB1 . 34656 1 168 . 1 . 1 12 12 ALA HB2 H 1 1.500 0.020 . 1 . . . . A 943 ALA HB2 . 34656 1 169 . 1 . 1 12 12 ALA HB3 H 1 1.500 0.020 . 1 . . . . A 943 ALA HB3 . 34656 1 170 . 1 . 1 12 12 ALA C C 13 178.586 0.3 . 1 . . . . A 943 ALA C . 34656 1 171 . 1 . 1 12 12 ALA CA C 13 55.421 0.3 . 1 . . . . A 943 ALA CA . 34656 1 172 . 1 . 1 12 12 ALA CB C 13 17.551 0.3 . 1 . . . . A 943 ALA CB . 34656 1 173 . 1 . 1 12 12 ALA N N 15 120.751 0.3 . 1 . . . . A 943 ALA N . 34656 1 174 . 1 . 1 13 13 VAL H H 1 8.028 0.020 . 1 . . . . A 944 VAL H . 34656 1 175 . 1 . 1 13 13 VAL HA H 1 3.492 0.020 . 1 . . . . A 944 VAL HA . 34656 1 176 . 1 . 1 13 13 VAL HB H 1 2.165 0.020 . 1 . . . . A 944 VAL HB . 34656 1 177 . 1 . 1 13 13 VAL HG11 H 1 0.933 0.020 . 2 . . . . A 944 VAL HG11 . 34656 1 178 . 1 . 1 13 13 VAL HG12 H 1 0.933 0.020 . 2 . . . . A 944 VAL HG12 . 34656 1 179 . 1 . 1 13 13 VAL HG13 H 1 0.933 0.020 . 2 . . . . A 944 VAL HG13 . 34656 1 180 . 1 . 1 13 13 VAL HG21 H 1 1.027 0.020 . 2 . . . . A 944 VAL HG21 . 34656 1 181 . 1 . 1 13 13 VAL HG22 H 1 1.027 0.020 . 2 . . . . A 944 VAL HG22 . 34656 1 182 . 1 . 1 13 13 VAL HG23 H 1 1.027 0.020 . 2 . . . . A 944 VAL HG23 . 34656 1 183 . 1 . 1 13 13 VAL C C 13 176.654 0.3 . 1 . . . . A 944 VAL C . 34656 1 184 . 1 . 1 13 13 VAL CA C 13 66.968 0.3 . 1 . . . . A 944 VAL CA . 34656 1 185 . 1 . 1 13 13 VAL CB C 13 30.749 0.3 . 1 . . . . A 944 VAL CB . 34656 1 186 . 1 . 1 13 13 VAL CG1 C 13 21.103 0.3 . 1 . . . . A 944 VAL CG1 . 34656 1 187 . 1 . 1 13 13 VAL CG2 C 13 22.807 0.3 . 1 . . . . A 944 VAL CG2 . 34656 1 188 . 1 . 1 13 13 VAL N N 15 114.484 0.3 . 1 . . . . A 944 VAL N . 34656 1 189 . 1 . 1 14 14 LEU H H 1 7.968 0.020 . 1 . . . . A 945 LEU H . 34656 1 190 . 1 . 1 14 14 LEU HA H 1 3.933 0.020 . 1 . . . . A 945 LEU HA . 34656 1 191 . 1 . 1 14 14 LEU HB2 H 1 1.913 0.020 . 2 . . . . A 945 LEU HB2 . 34656 1 192 . 1 . 1 14 14 LEU HB3 H 1 1.639 0.020 . 2 . . . . A 945 LEU HB3 . 34656 1 193 . 1 . 1 14 14 LEU HG H 1 1.834 0.020 . 1 . . . . A 945 LEU HG . 34656 1 194 . 1 . 1 14 14 LEU HD11 H 1 0.876 0.020 . 2 . . . . A 945 LEU HD11 . 34656 1 195 . 1 . 1 14 14 LEU HD12 H 1 0.876 0.020 . 2 . . . . A 945 LEU HD12 . 34656 1 196 . 1 . 1 14 14 LEU HD13 H 1 0.876 0.020 . 2 . . . . A 945 LEU HD13 . 34656 1 197 . 1 . 1 14 14 LEU HD21 H 1 0.850 0.020 . 2 . . . . A 945 LEU HD21 . 34656 1 198 . 1 . 1 14 14 LEU HD22 H 1 0.850 0.020 . 2 . . . . A 945 LEU HD22 . 34656 1 199 . 1 . 1 14 14 LEU HD23 H 1 0.850 0.020 . 2 . . . . A 945 LEU HD23 . 34656 1 200 . 1 . 1 14 14 LEU C C 13 178.126 0.3 . 1 . . . . A 945 LEU C . 34656 1 201 . 1 . 1 14 14 LEU CA C 13 58.230 0.3 . 1 . . . . A 945 LEU CA . 34656 1 202 . 1 . 1 14 14 LEU CB C 13 41.345 0.3 . 1 . . . . A 945 LEU CB . 34656 1 203 . 1 . 1 14 14 LEU CG C 13 27.178 0.3 . 1 . . . . A 945 LEU CG . 34656 1 204 . 1 . 1 14 14 LEU CD1 C 13 24.341 0.3 . 1 . . . . A 945 LEU CD1 . 34656 1 205 . 1 . 1 14 14 LEU CD2 C 13 23.396 0.3 . 1 . . . . A 945 LEU CD2 . 34656 1 206 . 1 . 1 14 14 LEU N N 15 118.945 0.3 . 1 . . . . A 945 LEU N . 34656 1 207 . 1 . 1 15 15 LEU H H 1 8.242 0.020 . 1 . . . . A 946 LEU H . 34656 1 208 . 1 . 1 15 15 LEU HA H 1 4.017 0.020 . 1 . . . . A 946 LEU HA . 34656 1 209 . 1 . 1 15 15 LEU HB2 H 1 1.970 0.020 . 2 . . . . A 946 LEU HB2 . 34656 1 210 . 1 . 1 15 15 LEU HB3 H 1 1.466 0.020 . 2 . . . . A 946 LEU HB3 . 34656 1 211 . 1 . 1 15 15 LEU HG H 1 1.932 0.020 . 1 . . . . A 946 LEU HG . 34656 1 212 . 1 . 1 15 15 LEU HD11 H 1 0.842 0.020 . 2 . . . . A 946 LEU HD11 . 34656 1 213 . 1 . 1 15 15 LEU HD12 H 1 0.842 0.020 . 2 . . . . A 946 LEU HD12 . 34656 1 214 . 1 . 1 15 15 LEU HD13 H 1 0.842 0.020 . 2 . . . . A 946 LEU HD13 . 34656 1 215 . 1 . 1 15 15 LEU HD21 H 1 0.822 0.020 . 2 . . . . A 946 LEU HD21 . 34656 1 216 . 1 . 1 15 15 LEU HD22 H 1 0.822 0.020 . 2 . . . . A 946 LEU HD22 . 34656 1 217 . 1 . 1 15 15 LEU HD23 H 1 0.822 0.020 . 2 . . . . A 946 LEU HD23 . 34656 1 218 . 1 . 1 15 15 LEU C C 13 178.166 0.3 . 1 . . . . A 946 LEU C . 34656 1 219 . 1 . 1 15 15 LEU CA C 13 57.943 0.3 . 1 . . . . A 946 LEU CA . 34656 1 220 . 1 . 1 15 15 LEU CB C 13 41.597 0.3 . 1 . . . . A 946 LEU CB . 34656 1 221 . 1 . 1 15 15 LEU CG C 13 26.441 0.3 . 1 . . . . A 946 LEU CG . 34656 1 222 . 1 . 1 15 15 LEU CD1 C 13 25.119 0.3 . 1 . . . . A 946 LEU CD1 . 34656 1 223 . 1 . 1 15 15 LEU CD2 C 13 22.789 0.3 . 1 . . . . A 946 LEU CD2 . 34656 1 224 . 1 . 1 15 15 LEU N N 15 117.444 0.3 . 1 . . . . A 946 LEU N . 34656 1 225 . 1 . 1 16 16 ILE H H 1 8.101 0.020 . 1 . . . . A 947 ILE H . 34656 1 226 . 1 . 1 16 16 ILE HA H 1 3.697 0.020 . 1 . . . . A 947 ILE HA . 34656 1 227 . 1 . 1 16 16 ILE HB H 1 2.007 0.020 . 1 . . . . A 947 ILE HB . 34656 1 228 . 1 . 1 16 16 ILE HG12 H 1 1.036 0.020 . 2 . . . . A 947 ILE HG12 . 34656 1 229 . 1 . 1 16 16 ILE HG13 H 1 1.932 0.020 . 2 . . . . A 947 ILE HG13 . 34656 1 230 . 1 . 1 16 16 ILE HG21 H 1 0.883 0.020 . 1 . . . . A 947 ILE HG21 . 34656 1 231 . 1 . 1 16 16 ILE HG22 H 1 0.883 0.020 . 1 . . . . A 947 ILE HG22 . 34656 1 232 . 1 . 1 16 16 ILE HG23 H 1 0.883 0.020 . 1 . . . . A 947 ILE HG23 . 34656 1 233 . 1 . 1 16 16 ILE HD11 H 1 0.811 0.020 . 1 . . . . A 947 ILE HD11 . 34656 1 234 . 1 . 1 16 16 ILE HD12 H 1 0.811 0.020 . 1 . . . . A 947 ILE HD12 . 34656 1 235 . 1 . 1 16 16 ILE HD13 H 1 0.811 0.020 . 1 . . . . A 947 ILE HD13 . 34656 1 236 . 1 . 1 16 16 ILE C C 13 176.997 0.3 . 1 . . . . A 947 ILE C . 34656 1 237 . 1 . 1 16 16 ILE CA C 13 65.073 0.3 . 1 . . . . A 947 ILE CA . 34656 1 238 . 1 . 1 16 16 ILE CB C 13 37.478 0.3 . 1 . . . . A 947 ILE CB . 34656 1 239 . 1 . 1 16 16 ILE CG1 C 13 29.141 0.3 . 1 . . . . A 947 ILE CG1 . 34656 1 240 . 1 . 1 16 16 ILE CG2 C 13 16.660 0.3 . 1 . . . . A 947 ILE CG2 . 34656 1 241 . 1 . 1 16 16 ILE CD1 C 13 12.606 0.3 . 1 . . . . A 947 ILE CD1 . 34656 1 242 . 1 . 1 16 16 ILE N N 15 117.823 0.3 . 1 . . . . A 947 ILE N . 34656 1 243 . 1 . 1 17 17 VAL H H 1 8.589 0.020 . 1 . . . . A 948 VAL H . 34656 1 244 . 1 . 1 17 17 VAL HA H 1 3.580 0.020 . 1 . . . . A 948 VAL HA . 34656 1 245 . 1 . 1 17 17 VAL HB H 1 2.189 0.020 . 1 . . . . A 948 VAL HB . 34656 1 246 . 1 . 1 17 17 VAL HG11 H 1 1.047 0.020 . 2 . . . . A 948 VAL HG11 . 34656 1 247 . 1 . 1 17 17 VAL HG12 H 1 1.047 0.020 . 2 . . . . A 948 VAL HG12 . 34656 1 248 . 1 . 1 17 17 VAL HG13 H 1 1.047 0.020 . 2 . . . . A 948 VAL HG13 . 34656 1 249 . 1 . 1 17 17 VAL HG21 H 1 0.883 0.020 . 2 . . . . A 948 VAL HG21 . 34656 1 250 . 1 . 1 17 17 VAL HG22 H 1 0.883 0.020 . 2 . . . . A 948 VAL HG22 . 34656 1 251 . 1 . 1 17 17 VAL HG23 H 1 0.883 0.020 . 2 . . . . A 948 VAL HG23 . 34656 1 252 . 1 . 1 17 17 VAL C C 13 177.461 0.3 . 1 . . . . A 948 VAL C . 34656 1 253 . 1 . 1 17 17 VAL CA C 13 67.144 0.3 . 1 . . . . A 948 VAL CA . 34656 1 254 . 1 . 1 17 17 VAL CB C 13 30.956 0.3 . 1 . . . . A 948 VAL CB . 34656 1 255 . 1 . 1 17 17 VAL CG1 C 13 22.859 0.3 . 1 . . . . A 948 VAL CG1 . 34656 1 256 . 1 . 1 17 17 VAL CG2 C 13 21.067 0.3 . 1 . . . . A 948 VAL CG2 . 34656 1 257 . 1 . 1 17 17 VAL N N 15 118.223 0.3 . 1 . . . . A 948 VAL N . 34656 1 258 . 1 . 1 18 18 GLY H H 1 8.827 0.020 . 1 . . . . A 949 GLY H . 34656 1 259 . 1 . 1 18 18 GLY HA2 H 1 3.646 0.020 . 2 . . . . A 949 GLY HA2 . 34656 1 260 . 1 . 1 18 18 GLY HA3 H 1 3.685 0.020 . 2 . . . . A 949 GLY HA3 . 34656 1 261 . 1 . 1 18 18 GLY C C 13 174.675 0.3 . 1 . . . . A 949 GLY C . 34656 1 262 . 1 . 1 18 18 GLY CA C 13 47.186 0.3 . 1 . . . . A 949 GLY CA . 34656 1 263 . 1 . 1 18 18 GLY N N 15 106.435 0.3 . 1 . . . . A 949 GLY N . 34656 1 264 . 1 . 1 19 19 GLY H H 1 8.648 0.020 . 1 . . . . A 950 GLY H . 34656 1 265 . 1 . 1 19 19 GLY HA2 H 1 3.685 0.020 . 2 . . . . A 950 GLY HA2 . 34656 1 266 . 1 . 1 19 19 GLY HA3 H 1 3.730 0.020 . 2 . . . . A 950 GLY HA3 . 34656 1 267 . 1 . 1 19 19 GLY C C 13 174.525 0.3 . 1 . . . . A 950 GLY C . 34656 1 268 . 1 . 1 19 19 GLY CA C 13 47.292 0.3 . 1 . . . . A 950 GLY CA . 34656 1 269 . 1 . 1 19 19 GLY N N 15 108.558 0.3 . 1 . . . . A 950 GLY N . 34656 1 270 . 1 . 1 20 20 LEU H H 1 8.446 0.020 . 1 . . . . A 951 LEU H . 34656 1 271 . 1 . 1 20 20 LEU HA H 1 4.145 0.020 . 1 . . . . A 951 LEU HA . 34656 1 272 . 1 . 1 20 20 LEU HB2 H 1 2.084 0.020 . 2 . . . . A 951 LEU HB2 . 34656 1 273 . 1 . 1 20 20 LEU HB3 H 1 1.628 0.020 . 2 . . . . A 951 LEU HB3 . 34656 1 274 . 1 . 1 20 20 LEU HG H 1 1.991 0.020 . 1 . . . . A 951 LEU HG . 34656 1 275 . 1 . 1 20 20 LEU HD11 H 1 0.921 0.020 . 2 . . . . A 951 LEU HD11 . 34656 1 276 . 1 . 1 20 20 LEU HD12 H 1 0.921 0.020 . 2 . . . . A 951 LEU HD12 . 34656 1 277 . 1 . 1 20 20 LEU HD13 H 1 0.921 0.020 . 2 . . . . A 951 LEU HD13 . 34656 1 278 . 1 . 1 20 20 LEU HD21 H 1 0.968 0.020 . 2 . . . . A 951 LEU HD21 . 34656 1 279 . 1 . 1 20 20 LEU HD22 H 1 0.968 0.020 . 2 . . . . A 951 LEU HD22 . 34656 1 280 . 1 . 1 20 20 LEU HD23 H 1 0.968 0.020 . 2 . . . . A 951 LEU HD23 . 34656 1 281 . 1 . 1 20 20 LEU C C 13 178.327 0.3 . 1 . . . . A 951 LEU C . 34656 1 282 . 1 . 1 20 20 LEU CA C 13 58.247 0.3 . 1 . . . . A 951 LEU CA . 34656 1 283 . 1 . 1 20 20 LEU CB C 13 41.722 0.3 . 1 . . . . A 951 LEU CB . 34656 1 284 . 1 . 1 20 20 LEU CG C 13 26.808 0.3 . 1 . . . . A 951 LEU CG . 34656 1 285 . 1 . 1 20 20 LEU CD1 C 13 24.995 0.3 . 1 . . . . A 951 LEU CD1 . 34656 1 286 . 1 . 1 20 20 LEU CD2 C 13 23.559 0.3 . 1 . . . . A 951 LEU CD2 . 34656 1 287 . 1 . 1 20 20 LEU N N 15 121.701 0.3 . 1 . . . . A 951 LEU N . 34656 1 288 . 1 . 1 21 21 VAL H H 1 8.451 0.020 . 1 . . . . A 952 VAL H . 34656 1 289 . 1 . 1 21 21 VAL HA H 1 3.674 0.020 . 1 . . . . A 952 VAL HA . 34656 1 290 . 1 . 1 21 21 VAL HB H 1 2.416 0.020 . 1 . . . . A 952 VAL HB . 34656 1 291 . 1 . 1 21 21 VAL HG11 H 1 1.157 0.020 . 2 . . . . A 952 VAL HG11 . 34656 1 292 . 1 . 1 21 21 VAL HG12 H 1 1.157 0.020 . 2 . . . . A 952 VAL HG12 . 34656 1 293 . 1 . 1 21 21 VAL HG13 H 1 1.157 0.020 . 2 . . . . A 952 VAL HG13 . 34656 1 294 . 1 . 1 21 21 VAL HG21 H 1 1.027 0.020 . 2 . . . . A 952 VAL HG21 . 34656 1 295 . 1 . 1 21 21 VAL HG22 H 1 1.027 0.020 . 2 . . . . A 952 VAL HG22 . 34656 1 296 . 1 . 1 21 21 VAL HG23 H 1 1.027 0.020 . 2 . . . . A 952 VAL HG23 . 34656 1 297 . 1 . 1 21 21 VAL C C 13 177.585 0.3 . 1 . . . . A 952 VAL C . 34656 1 298 . 1 . 1 21 21 VAL CA C 13 67.308 0.3 . 1 . . . . A 952 VAL CA . 34656 1 299 . 1 . 1 21 21 VAL CB C 13 30.891 0.3 . 1 . . . . A 952 VAL CB . 34656 1 300 . 1 . 1 21 21 VAL CG1 C 13 22.990 0.3 . 1 . . . . A 952 VAL CG1 . 34656 1 301 . 1 . 1 21 21 VAL CG2 C 13 21.686 0.3 . 1 . . . . A 952 VAL CG2 . 34656 1 302 . 1 . 1 21 21 VAL N N 15 118.169 0.3 . 1 . . . . A 952 VAL N . 34656 1 303 . 1 . 1 22 22 ILE H H 1 8.397 0.020 . 1 . . . . A 953 ILE H . 34656 1 304 . 1 . 1 22 22 ILE HA H 1 3.782 0.020 . 1 . . . . A 953 ILE HA . 34656 1 305 . 1 . 1 22 22 ILE HB H 1 2.151 0.020 . 1 . . . . A 953 ILE HB . 34656 1 306 . 1 . 1 22 22 ILE HG12 H 1 1.975 0.020 . 2 . . . . A 953 ILE HG12 . 34656 1 307 . 1 . 1 22 22 ILE HG13 H 1 1.123 0.020 . 2 . . . . A 953 ILE HG13 . 34656 1 308 . 1 . 1 22 22 ILE HG21 H 1 1.009 0.020 . 1 . . . . A 953 ILE HG21 . 34656 1 309 . 1 . 1 22 22 ILE HG22 H 1 1.009 0.020 . 1 . . . . A 953 ILE HG22 . 34656 1 310 . 1 . 1 22 22 ILE HG23 H 1 1.009 0.020 . 1 . . . . A 953 ILE HG23 . 34656 1 311 . 1 . 1 22 22 ILE HD11 H 1 0.881 0.020 . 1 . . . . A 953 ILE HD11 . 34656 1 312 . 1 . 1 22 22 ILE HD12 H 1 0.881 0.020 . 1 . . . . A 953 ILE HD12 . 34656 1 313 . 1 . 1 22 22 ILE HD13 H 1 0.881 0.020 . 1 . . . . A 953 ILE HD13 . 34656 1 314 . 1 . 1 22 22 ILE C C 13 177.639 0.3 . 1 . . . . A 953 ILE C . 34656 1 315 . 1 . 1 22 22 ILE CA C 13 65.520 0.3 . 1 . . . . A 953 ILE CA . 34656 1 316 . 1 . 1 22 22 ILE CB C 13 37.177 0.3 . 1 . . . . A 953 ILE CB . 34656 1 317 . 1 . 1 22 22 ILE CG1 C 13 29.445 0.3 . 1 . . . . A 953 ILE CG1 . 34656 1 318 . 1 . 1 22 22 ILE CG2 C 13 17.552 0.3 . 1 . . . . A 953 ILE CG2 . 34656 1 319 . 1 . 1 22 22 ILE CD1 C 13 13.088 0.3 . 1 . . . . A 953 ILE CD1 . 34656 1 320 . 1 . 1 22 22 ILE N N 15 119.090 0.3 . 1 . . . . A 953 ILE N . 34656 1 321 . 1 . 1 23 23 MET H H 1 8.546 0.020 . 1 . . . . A 954 MET H . 34656 1 322 . 1 . 1 23 23 MET HA H 1 4.179 0.020 . 1 . . . . A 954 MET HA . 34656 1 323 . 1 . 1 23 23 MET HB2 H 1 2.414 0.020 . 2 . . . . A 954 MET HB2 . 34656 1 324 . 1 . 1 23 23 MET HB3 H 1 2.212 0.020 . 2 . . . . A 954 MET HB3 . 34656 1 325 . 1 . 1 23 23 MET HG2 H 1 2.179 0.020 . 1 . . . . A 954 MET HG2 . 34656 1 326 . 1 . 1 23 23 MET HG3 H 1 2.179 0.020 . 1 . . . . A 954 MET HG3 . 34656 1 327 . 1 . 1 23 23 MET HE1 H 1 2.040 0.020 . 1 . . . . A 954 MET HE1 . 34656 1 328 . 1 . 1 23 23 MET HE2 H 1 2.040 0.020 . 1 . . . . A 954 MET HE2 . 34656 1 329 . 1 . 1 23 23 MET HE3 H 1 2.040 0.020 . 1 . . . . A 954 MET HE3 . 34656 1 330 . 1 . 1 23 23 MET C C 13 177.708 0.3 . 1 . . . . A 954 MET C . 34656 1 331 . 1 . 1 23 23 MET CA C 13 59.087 0.3 . 1 . . . . A 954 MET CA . 34656 1 332 . 1 . 1 23 23 MET CB C 13 32.277 0.3 . 1 . . . . A 954 MET CB . 34656 1 333 . 1 . 1 23 23 MET CE C 13 16.990 0.3 . 1 . . . . A 954 MET CE . 34656 1 334 . 1 . 1 23 23 MET N N 15 118.329 0.3 . 1 . . . . A 954 MET N . 34656 1 335 . 1 . 1 24 24 LEU H H 1 8.616 0.020 . 1 . . . . A 955 LEU H . 34656 1 336 . 1 . 1 24 24 LEU HA H 1 4.204 0.020 . 1 . . . . A 955 LEU HA . 34656 1 337 . 1 . 1 24 24 LEU HB2 H 1 2.111 0.020 . 2 . . . . A 955 LEU HB2 . 34656 1 338 . 1 . 1 24 24 LEU HB3 H 1 1.609 0.020 . 2 . . . . A 955 LEU HB3 . 34656 1 339 . 1 . 1 24 24 LEU HG H 1 1.985 0.020 . 1 . . . . A 955 LEU HG . 34656 1 340 . 1 . 1 24 24 LEU HD11 H 1 0.982 0.020 . 2 . . . . A 955 LEU HD11 . 34656 1 341 . 1 . 1 24 24 LEU HD12 H 1 0.982 0.020 . 2 . . . . A 955 LEU HD12 . 34656 1 342 . 1 . 1 24 24 LEU HD13 H 1 0.982 0.020 . 2 . . . . A 955 LEU HD13 . 34656 1 343 . 1 . 1 24 24 LEU HD21 H 1 0.920 0.020 . 2 . . . . A 955 LEU HD21 . 34656 1 344 . 1 . 1 24 24 LEU HD22 H 1 0.920 0.020 . 2 . . . . A 955 LEU HD22 . 34656 1 345 . 1 . 1 24 24 LEU HD23 H 1 0.920 0.020 . 2 . . . . A 955 LEU HD23 . 34656 1 346 . 1 . 1 24 24 LEU C C 13 178.428 0.3 . 1 . . . . A 955 LEU C . 34656 1 347 . 1 . 1 24 24 LEU CA C 13 58.009 0.3 . 1 . . . . A 955 LEU CA . 34656 1 348 . 1 . 1 24 24 LEU CB C 13 41.553 0.3 . 1 . . . . A 955 LEU CB . 34656 1 349 . 1 . 1 24 24 LEU CG C 13 26.566 0.3 . 1 . . . . A 955 LEU CG . 34656 1 350 . 1 . 1 24 24 LEU CD1 C 13 25.206 0.3 . 1 . . . . A 955 LEU CD1 . 34656 1 351 . 1 . 1 24 24 LEU CD2 C 13 23.571 0.3 . 1 . . . . A 955 LEU CD2 . 34656 1 352 . 1 . 1 24 24 LEU N N 15 118.647 0.3 . 1 . . . . A 955 LEU N . 34656 1 353 . 1 . 1 25 25 TYR H H 1 8.599 0.020 . 1 . . . . A 956 TYR H . 34656 1 354 . 1 . 1 25 25 TYR HA H 1 4.282 0.020 . 1 . . . . A 956 TYR HA . 34656 1 355 . 1 . 1 25 25 TYR HB2 H 1 3.388 0.020 . 2 . . . . A 956 TYR HB2 . 34656 1 356 . 1 . 1 25 25 TYR HB3 H 1 3.135 0.020 . 2 . . . . A 956 TYR HB3 . 34656 1 357 . 1 . 1 25 25 TYR HD2 H 1 7.084 0.020 . 1 . . . . A 956 TYR HD2 . 34656 1 358 . 1 . 1 25 25 TYR HE1 H 1 6.852 0.020 . 1 . . . . A 956 TYR HE1 . 34656 1 359 . 1 . 1 25 25 TYR HE2 H 1 6.852 0.020 . 1 . . . . A 956 TYR HE2 . 34656 1 360 . 1 . 1 25 25 TYR C C 13 177.090 0.3 . 1 . . . . A 956 TYR C . 34656 1 361 . 1 . 1 25 25 TYR CA C 13 61.880 0.3 . 1 . . . . A 956 TYR CA . 34656 1 362 . 1 . 1 25 25 TYR CB C 13 38.625 0.3 . 1 . . . . A 956 TYR CB . 34656 1 363 . 1 . 1 25 25 TYR CD2 C 13 132.787 0.3 . 1 . . . . A 956 TYR CD2 . 34656 1 364 . 1 . 1 25 25 TYR CE1 C 13 118.122 0.3 . 1 . . . . A 956 TYR CE1 . 34656 1 365 . 1 . 1 25 25 TYR CE2 C 13 118.122 0.3 . 1 . . . . A 956 TYR CE2 . 34656 1 366 . 1 . 1 25 25 TYR N N 15 119.361 0.3 . 1 . . . . A 956 TYR N . 34656 1 367 . 1 . 1 26 26 VAL H H 1 8.723 0.020 . 1 . . . . A 957 VAL H . 34656 1 368 . 1 . 1 26 26 VAL HA H 1 3.559 0.020 . 1 . . . . A 957 VAL HA . 34656 1 369 . 1 . 1 26 26 VAL HB H 1 2.274 0.020 . 1 . . . . A 957 VAL HB . 34656 1 370 . 1 . 1 26 26 VAL HG11 H 1 1.184 0.020 . 2 . . . . A 957 VAL HG11 . 34656 1 371 . 1 . 1 26 26 VAL HG12 H 1 1.184 0.020 . 2 . . . . A 957 VAL HG12 . 34656 1 372 . 1 . 1 26 26 VAL HG13 H 1 1.184 0.020 . 2 . . . . A 957 VAL HG13 . 34656 1 373 . 1 . 1 26 26 VAL HG21 H 1 0.787 0.020 . 2 . . . . A 957 VAL HG21 . 34656 1 374 . 1 . 1 26 26 VAL HG22 H 1 0.787 0.020 . 2 . . . . A 957 VAL HG22 . 34656 1 375 . 1 . 1 26 26 VAL HG23 H 1 0.787 0.020 . 2 . . . . A 957 VAL HG23 . 34656 1 376 . 1 . 1 26 26 VAL C C 13 177.561 0.3 . 1 . . . . A 957 VAL C . 34656 1 377 . 1 . 1 26 26 VAL CA C 13 66.179 0.3 . 1 . . . . A 957 VAL CA . 34656 1 378 . 1 . 1 26 26 VAL CB C 13 31.344 0.3 . 1 . . . . A 957 VAL CB . 34656 1 379 . 1 . 1 26 26 VAL CG1 C 13 22.846 0.3 . 1 . . . . A 957 VAL CG1 . 34656 1 380 . 1 . 1 26 26 VAL CG2 C 13 21.277 0.3 . 1 . . . . A 957 VAL CG2 . 34656 1 381 . 1 . 1 26 26 VAL N N 15 117.928 0.3 . 1 . . . . A 957 VAL N . 34656 1 382 . 1 . 1 27 27 PHE H H 1 8.466 0.020 . 1 . . . . A 958 PHE H . 34656 1 383 . 1 . 1 27 27 PHE HA H 1 4.447 0.020 . 1 . . . . A 958 PHE HA . 34656 1 384 . 1 . 1 27 27 PHE HB2 H 1 3.214 0.020 . 1 . . . . A 958 PHE HB2 . 34656 1 385 . 1 . 1 27 27 PHE HD1 H 1 7.342 0.020 . 1 . . . . A 958 PHE HD1 . 34656 1 386 . 1 . 1 27 27 PHE HD2 H 1 7.342 0.020 . 1 . . . . A 958 PHE HD2 . 34656 1 387 . 1 . 1 27 27 PHE HE1 H 1 7.371 0.020 . 1 . . . . A 958 PHE HE1 . 34656 1 388 . 1 . 1 27 27 PHE HE2 H 1 7.371 0.020 . 1 . . . . A 958 PHE HE2 . 34656 1 389 . 1 . 1 27 27 PHE HZ H 1 7.294 0.020 . 1 . . . . A 958 PHE HZ . 34656 1 390 . 1 . 1 27 27 PHE C C 13 176.533 0.3 . 1 . . . . A 958 PHE C . 34656 1 391 . 1 . 1 27 27 PHE CA C 13 59.843 0.3 . 1 . . . . A 958 PHE CA . 34656 1 392 . 1 . 1 27 27 PHE CB C 13 38.943 0.3 . 1 . . . . A 958 PHE CB . 34656 1 393 . 1 . 1 27 27 PHE CD1 C 13 131.870 0.3 . 1 . . . . A 958 PHE CD1 . 34656 1 394 . 1 . 1 27 27 PHE CD2 C 13 131.870 0.3 . 1 . . . . A 958 PHE CD2 . 34656 1 395 . 1 . 1 27 27 PHE CE1 C 13 131.246 0.3 . 1 . . . . A 958 PHE CE1 . 34656 1 396 . 1 . 1 27 27 PHE CE2 C 13 131.246 0.3 . 1 . . . . A 958 PHE CE2 . 34656 1 397 . 1 . 1 27 27 PHE CZ C 13 129.512 0.3 . 1 . . . . A 958 PHE CZ . 34656 1 398 . 1 . 1 27 27 PHE N N 15 116.911 0.3 . 1 . . . . A 958 PHE N . 34656 1 399 . 1 . 1 28 28 HIS H H 1 8.144 0.020 . 1 . . . . A 959 HIS H . 34656 1 400 . 1 . 1 28 28 HIS HA H 1 4.561 0.020 . 1 . . . . A 959 HIS HA . 34656 1 401 . 1 . 1 28 28 HIS HB2 H 1 3.404 0.020 . 2 . . . . A 959 HIS HB2 . 34656 1 402 . 1 . 1 28 28 HIS HB3 H 1 3.196 0.020 . 2 . . . . A 959 HIS HB3 . 34656 1 403 . 1 . 1 28 28 HIS HD2 H 1 7.053 0.020 . 1 . . . . A 959 HIS HD2 . 34656 1 404 . 1 . 1 28 28 HIS HE1 H 1 7.967 0.020 . 1 . . . . A 959 HIS HE1 . 34656 1 405 . 1 . 1 28 28 HIS C C 13 175.365 0.3 . 1 . . . . A 959 HIS C . 34656 1 406 . 1 . 1 28 28 HIS CA C 13 57.898 0.3 . 1 . . . . A 959 HIS CA . 34656 1 407 . 1 . 1 28 28 HIS CB C 13 30.207 0.3 . 1 . . . . A 959 HIS CB . 34656 1 408 . 1 . 1 28 28 HIS CD2 C 13 120.838 0.3 . 1 . . . . A 959 HIS CD2 . 34656 1 409 . 1 . 1 28 28 HIS CE1 C 13 138.783 0.3 . 1 . . . . A 959 HIS CE1 . 34656 1 410 . 1 . 1 28 28 HIS N N 15 117.164 0.3 . 1 . . . . A 959 HIS N . 34656 1 411 . 1 . 1 29 29 ARG H H 1 7.859 0.020 . 1 . . . . A 960 ARG H . 34656 1 412 . 1 . 1 29 29 ARG HA H 1 4.212 0.020 . 1 . . . . A 960 ARG HA . 34656 1 413 . 1 . 1 29 29 ARG HB2 H 1 1.749 0.020 . 2 . . . . A 960 ARG HB2 . 34656 1 414 . 1 . 1 29 29 ARG HB3 H 1 1.811 0.020 . 2 . . . . A 960 ARG HB3 . 34656 1 415 . 1 . 1 29 29 ARG HG2 H 1 1.549 0.020 . 1 . . . . A 960 ARG HG2 . 34656 1 416 . 1 . 1 29 29 ARG HG3 H 1 1.549 0.020 . 1 . . . . A 960 ARG HG3 . 34656 1 417 . 1 . 1 29 29 ARG HD2 H 1 3.099 0.020 . 1 . . . . A 960 ARG HD2 . 34656 1 418 . 1 . 1 29 29 ARG HD3 H 1 3.099 0.020 . 1 . . . . A 960 ARG HD3 . 34656 1 419 . 1 . 1 29 29 ARG C C 13 175.910 0.3 . 1 . . . . A 960 ARG C . 34656 1 420 . 1 . 1 29 29 ARG CA C 13 56.038 0.3 . 1 . . . . A 960 ARG CA . 34656 1 421 . 1 . 1 29 29 ARG CB C 13 30.157 0.3 . 1 . . . . A 960 ARG CB . 34656 1 422 . 1 . 1 29 29 ARG CG C 13 26.602 0.3 . 1 . . . . A 960 ARG CG . 34656 1 423 . 1 . 1 29 29 ARG CD C 13 42.845 0.3 . 1 . . . . A 960 ARG CD . 34656 1 424 . 1 . 1 29 29 ARG N N 15 118.888 0.3 . 1 . . . . A 960 ARG N . 34656 1 425 . 1 . 1 30 30 LYS H H 1 8.045 0.020 . 1 . . . . A 961 LYS H . 34656 1 426 . 1 . 1 30 30 LYS HA H 1 4.340 0.020 . 1 . . . . A 961 LYS HA . 34656 1 427 . 1 . 1 30 30 LYS HB2 H 1 1.939 0.020 . 2 . . . . A 961 LYS HB2 . 34656 1 428 . 1 . 1 30 30 LYS HB3 H 1 1.817 0.020 . 2 . . . . A 961 LYS HB3 . 34656 1 429 . 1 . 1 30 30 LYS HG2 H 1 1.726 0.020 . 1 . . . . A 961 LYS HG2 . 34656 1 430 . 1 . 1 30 30 LYS HG3 H 1 1.726 0.020 . 1 . . . . A 961 LYS HG3 . 34656 1 431 . 1 . 1 30 30 LYS HD2 H 1 1.513 0.020 . 1 . . . . A 961 LYS HD2 . 34656 1 432 . 1 . 1 30 30 LYS HD3 H 1 1.513 0.020 . 1 . . . . A 961 LYS HD3 . 34656 1 433 . 1 . 1 30 30 LYS HE2 H 1 3.019 0.020 . 1 . . . . A 961 LYS HE2 . 34656 1 434 . 1 . 1 30 30 LYS HE3 H 1 3.019 0.020 . 1 . . . . A 961 LYS HE3 . 34656 1 435 . 1 . 1 30 30 LYS C C 13 175.166 0.3 . 1 . . . . A 961 LYS C . 34656 1 436 . 1 . 1 30 30 LYS CA C 13 56.114 0.3 . 1 . . . . A 961 LYS CA . 34656 1 437 . 1 . 1 30 30 LYS CB C 13 32.443 0.3 . 1 . . . . A 961 LYS CB . 34656 1 438 . 1 . 1 30 30 LYS CG C 13 28.771 0.3 . 1 . . . . A 961 LYS CG . 34656 1 439 . 1 . 1 30 30 LYS CD C 13 24.429 0.3 . 1 . . . . A 961 LYS CD . 34656 1 440 . 1 . 1 30 30 LYS CE C 13 41.789 0.3 . 1 . . . . A 961 LYS CE . 34656 1 441 . 1 . 1 30 30 LYS N N 15 121.208 0.3 . 1 . . . . A 961 LYS N . 34656 1 442 . 1 . 1 31 31 ARG H H 1 7.756 0.020 . 1 . . . . A 962 ARG H . 34656 1 443 . 1 . 1 31 31 ARG HA H 1 4.175 0.020 . 1 . . . . A 962 ARG HA . 34656 1 444 . 1 . 1 31 31 ARG HB2 H 1 1.862 0.020 . 2 . . . . A 962 ARG HB2 . 34656 1 445 . 1 . 1 31 31 ARG HB3 H 1 1.750 0.020 . 2 . . . . A 962 ARG HB3 . 34656 1 446 . 1 . 1 31 31 ARG HG2 H 1 1.639 0.020 . 1 . . . . A 962 ARG HG2 . 34656 1 447 . 1 . 1 31 31 ARG HG3 H 1 1.639 0.020 . 1 . . . . A 962 ARG HG3 . 34656 1 448 . 1 . 1 31 31 ARG HD2 H 1 3.187 0.020 . 1 . . . . A 962 ARG HD2 . 34656 1 449 . 1 . 1 31 31 ARG HD3 H 1 3.187 0.020 . 1 . . . . A 962 ARG HD3 . 34656 1 450 . 1 . 1 31 31 ARG CA C 13 57.245 0.3 . 1 . . . . A 962 ARG CA . 34656 1 451 . 1 . 1 31 31 ARG CB C 13 31.181 0.3 . 1 . . . . A 962 ARG CB . 34656 1 452 . 1 . 1 31 31 ARG CG C 13 26.966 0.3 . 1 . . . . A 962 ARG CG . 34656 1 453 . 1 . 1 31 31 ARG CD C 13 43.330 0.3 . 1 . . . . A 962 ARG CD . 34656 1 454 . 1 . 1 31 31 ARG N N 15 127.229 0.3 . 1 . . . . A 962 ARG N . 34656 1 stop_ save_