data_27913 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27913 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the C-terminal Fragment of a Kinesin KIF4A Variant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-05-15 _Entry.Accession_date 2019-05-15 _Entry.Last_release_date 2019-05-16 _Entry.Original_release_date 2019-05-16 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_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 Xinru Wang . . . . 27913 2 Wolfgang Peti . . . . 27913 3 Rebecca Page . . . . 27913 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Page Group; University of Arizona' . 27913 2 . 'Peti Group; University of Arizona' . 27913 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27913 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 76 27913 '15N chemical shifts' 39 27913 '1H chemical shifts' 39 27913 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 . . 2020-05-31 2019-05-15 update BMRB 'update entry citation' 27913 1 . . 2020-03-17 2019-05-15 original author 'original release' 27913 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27913 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32195664 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A dynamic charge:charge interaction modulates PP2A:B56 interactions ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev Elife _Citation.Journal_name_full eLife _Citation.Journal_volume 9 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2050-084X _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2020 _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 Xinru Wang X. . . . 27913 1 2 Dimitriya Garvanska D. H. . . 27913 1 3 Isha Nasa I. . . . 27913 1 4 Yumi Ueki Y. . . . 27913 1 5 Gang Zhang G. . . . 27913 1 6 Arminja Kettenbach A. N. . . 27913 1 7 Wolfgang Peti W. . . . 27913 1 8 Jakob Nilsson J. . . . 27913 1 9 Rebecca Page R. . . . 27913 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Intrinsically disordered' 27913 1 KIF4A 27913 1 NMR 27913 1 PP2A-B56 27913 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27913 _Assembly.ID 1 _Assembly.Name KIF4A _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'KIF4A, A' 1 $KIF4A A . yes 'intrinsically disordered' no no . . . 27913 1 2 'KIF4A, B' 1 $KIF4A B . yes native no no . . . 27913 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 6OYL . . X-ray . . . 27913 1 yes UNP O95239 . . na . . . 27913 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_KIF4A _Entity.Sf_category entity _Entity.Sf_framecode KIF4A _Entity.Entry_ID 27913 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name KIF4A _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMELKHVATEYQENKAPGK KKKRALASNTSFFSGLEPIE EEPE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 36, L 37, E 43, P 44, E ; _Entity.Polymer_author_seq_details 'Residues 1-3 are from a cloning artifact.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 44 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'The C-terminal fragment of a Kinesin KIF4A variant' _Entity.Mutation ; C1224L S1225E A1231P H1232E ; _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP O95239 . 'Chromosome-associated kinesin KIF4A' . . . . . . . . . . . . . . 27913 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 -2 GLY . 27913 1 2 -1 HIS . 27913 1 3 0 MET . 27913 1 4 1 GLU . 27913 1 5 2 LEU . 27913 1 6 3 LYS . 27913 1 7 4 HIS . 27913 1 8 5 VAL . 27913 1 9 6 ALA . 27913 1 10 7 THR . 27913 1 11 8 GLU . 27913 1 12 9 TYR . 27913 1 13 10 GLN . 27913 1 14 11 GLU . 27913 1 15 12 ASN . 27913 1 16 13 LYS . 27913 1 17 14 ALA . 27913 1 18 15 PRO . 27913 1 19 16 GLY . 27913 1 20 17 LYS . 27913 1 21 18 LYS . 27913 1 22 19 LYS . 27913 1 23 20 LYS . 27913 1 24 21 ARG . 27913 1 25 22 ALA . 27913 1 26 23 LEU . 27913 1 27 24 ALA . 27913 1 28 25 SER . 27913 1 29 26 ASN . 27913 1 30 27 THR . 27913 1 31 28 SER . 27913 1 32 29 PHE . 27913 1 33 30 PHE . 27913 1 34 31 SER . 27913 1 35 32 GLY . 27913 1 36 33 LEU . 27913 1 37 34 GLU . 27913 1 38 35 PRO . 27913 1 39 36 ILE . 27913 1 40 37 GLU . 27913 1 41 38 GLU . 27913 1 42 39 GLU . 27913 1 43 40 PRO . 27913 1 44 41 GLU . 27913 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 27913 1 . HIS 2 2 27913 1 . MET 3 3 27913 1 . GLU 4 4 27913 1 . LEU 5 5 27913 1 . LYS 6 6 27913 1 . HIS 7 7 27913 1 . VAL 8 8 27913 1 . ALA 9 9 27913 1 . THR 10 10 27913 1 . GLU 11 11 27913 1 . TYR 12 12 27913 1 . GLN 13 13 27913 1 . GLU 14 14 27913 1 . ASN 15 15 27913 1 . LYS 16 16 27913 1 . ALA 17 17 27913 1 . PRO 18 18 27913 1 . GLY 19 19 27913 1 . LYS 20 20 27913 1 . LYS 21 21 27913 1 . LYS 22 22 27913 1 . LYS 23 23 27913 1 . ARG 24 24 27913 1 . ALA 25 25 27913 1 . LEU 26 26 27913 1 . ALA 27 27 27913 1 . SER 28 28 27913 1 . ASN 29 29 27913 1 . THR 30 30 27913 1 . SER 31 31 27913 1 . PHE 32 32 27913 1 . PHE 33 33 27913 1 . SER 34 34 27913 1 . GLY 35 35 27913 1 . LEU 36 36 27913 1 . GLU 37 37 27913 1 . PRO 38 38 27913 1 . ILE 39 39 27913 1 . GLU 40 40 27913 1 . GLU 41 41 27913 1 . GLU 42 42 27913 1 . PRO 43 43 27913 1 . GLU 44 44 27913 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 27913 _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 $KIF4A . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27913 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 27913 _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 $KIF4A . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pTHMT . . 'MBP-fusion vector' 27913 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27913 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 KIF4A '[U-99% 15N]' . . 1 $KIF4A . . 0.1 . . mM . . . . 27913 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27913 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27913 1 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 27913 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 27913 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 27913 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27913 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 KIF4A '[U-99% 13C; U-99% 15N]' . . 1 $KIF4A . . 3 . . mM . . . . 27913 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27913 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27913 2 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 27913 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 27913 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 27913 2 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 27913 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details '20 mM sodium phosphate pH 6.8, 50 mM NaCl, 0.5 mM TCEP; H2O 90%; D2O 10%' 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' 70 . mM 27913 1 pH 6.8 . pH 27913 1 pressure 1 . atm 27913 1 temperature 283 . K 27913 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27913 _Software.ID 1 _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' . . 27913 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27913 1 . processing 27913 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 27913 _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' . . 27913 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27913 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27913 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Neo _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 27913 _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 spectrometer_1 Bruker Neo . 600 . . . 27913 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 27913 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27913 1 2 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27913 1 3 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27913 1 4 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27913 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27913 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27913 _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 na indirect 0.251449530 . . . . . 27913 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.000000000 . . . . . 27913 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 27913 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27913 _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 $chemical_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' . . . 27913 1 2 '3D HNCA' . . . 27913 1 3 '3D HN(CO)CA' . . . 27913 1 4 '3D HNCACB' . . . 27913 1 5 '3D CBCA(CO)NH' . . . 27913 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 3 3 MET H H 1 8.308 0.009 . 1 . . . . . 0 MET H . 27913 1 2 . 1 . 1 3 3 MET CA C 13 52.420 0.3 . 1 . . . . . 0 MET CA . 27913 1 3 . 1 . 1 3 3 MET CB C 13 29.771 0.3 . 1 . . . . . 0 MET CB . 27913 1 4 . 1 . 1 3 3 MET N N 15 122.373 0.2 . 1 . . . . . 0 MET N . 27913 1 5 . 1 . 1 4 4 GLU H H 1 8.324 0.009 . 1 . . . . . 1 GLU H . 27913 1 6 . 1 . 1 4 4 GLU CA C 13 53.560 0.3 . 1 . . . . . 1 GLU CA . 27913 1 7 . 1 . 1 4 4 GLU CB C 13 27.232 0.3 . 1 . . . . . 1 GLU CB . 27913 1 8 . 1 . 1 4 4 GLU N N 15 122.840 0.2 . 1 . . . . . 1 GLU N . 27913 1 9 . 1 . 1 5 5 LEU H H 1 8.149 0.009 . 1 . . . . . 2 LEU H . 27913 1 10 . 1 . 1 5 5 LEU CA C 13 52.130 0.3 . 1 . . . . . 2 LEU CA . 27913 1 11 . 1 . 1 5 5 LEU CB C 13 39.276 0.3 . 1 . . . . . 2 LEU CB . 27913 1 12 . 1 . 1 5 5 LEU N N 15 124.092 0.2 . 1 . . . . . 2 LEU N . 27913 1 13 . 1 . 1 6 6 LYS H H 1 8.122 0.009 . 1 . . . . . 3 LYS H . 27913 1 14 . 1 . 1 6 6 LYS CA C 13 53.204 0.3 . 1 . . . . . 3 LYS CA . 27913 1 15 . 1 . 1 6 6 LYS CB C 13 30.045 0.3 . 1 . . . . . 3 LYS CB . 27913 1 16 . 1 . 1 6 6 LYS N N 15 122.104 0.2 . 1 . . . . . 3 LYS N . 27913 1 17 . 1 . 1 7 7 HIS H H 1 8.251 0.009 . 1 . . . . . 4 HIS H . 27913 1 18 . 1 . 1 7 7 HIS CA C 13 53.076 0.3 . 1 . . . . . 4 HIS CA . 27913 1 19 . 1 . 1 7 7 HIS CB C 13 27.338 0.3 . 1 . . . . . 4 HIS CB . 27913 1 20 . 1 . 1 7 7 HIS N N 15 121.035 0.2 . 1 . . . . . 4 HIS N . 27913 1 21 . 1 . 1 8 8 VAL H H 1 7.943 0.009 . 1 . . . . . 5 VAL H . 27913 1 22 . 1 . 1 8 8 VAL CA C 13 59.179 0.3 . 1 . . . . . 5 VAL CA . 27913 1 23 . 1 . 1 8 8 VAL CB C 13 29.981 0.3 . 1 . . . . . 5 VAL CB . 27913 1 24 . 1 . 1 8 8 VAL N N 15 122.755 0.2 . 1 . . . . . 5 VAL N . 27913 1 25 . 1 . 1 9 9 ALA H H 1 8.323 0.009 . 1 . . . . . 6 ALA H . 27913 1 26 . 1 . 1 9 9 ALA CA C 13 49.662 0.3 . 1 . . . . . 6 ALA CA . 27913 1 27 . 1 . 1 9 9 ALA CB C 13 16.151 0.3 . 1 . . . . . 6 ALA CB . 27913 1 28 . 1 . 1 9 9 ALA N N 15 128.099 0.2 . 1 . . . . . 6 ALA N . 27913 1 29 . 1 . 1 10 10 THR H H 1 7.964 0.009 . 1 . . . . . 7 THR H . 27913 1 30 . 1 . 1 10 10 THR CA C 13 59.389 0.3 . 1 . . . . . 7 THR CA . 27913 1 31 . 1 . 1 10 10 THR CB C 13 66.836 0.3 . 1 . . . . . 7 THR CB . 27913 1 32 . 1 . 1 10 10 THR N N 15 113.834 0.2 . 1 . . . . . 7 THR N . 27913 1 33 . 1 . 1 11 11 GLU H H 1 8.258 0.009 . 1 . . . . . 8 GLU H . 27913 1 34 . 1 . 1 11 11 GLU CA C 13 53.687 0.3 . 1 . . . . . 8 GLU CA . 27913 1 35 . 1 . 1 11 11 GLU CB C 13 27.258 0.3 . 1 . . . . . 8 GLU CB . 27913 1 36 . 1 . 1 11 11 GLU N N 15 122.995 0.2 . 1 . . . . . 8 GLU N . 27913 1 37 . 1 . 1 12 12 TYR H H 1 8.088 0.009 . 1 . . . . . 9 TYR H . 27913 1 38 . 1 . 1 12 12 TYR CA C 13 55.321 0.3 . 1 . . . . . 9 TYR CA . 27913 1 39 . 1 . 1 12 12 TYR CB C 13 35.769 0.3 . 1 . . . . . 9 TYR CB . 27913 1 40 . 1 . 1 12 12 TYR N N 15 121.544 0.2 . 1 . . . . . 9 TYR N . 27913 1 41 . 1 . 1 13 13 GLN H H 1 7.964 0.009 . 1 . . . . . 10 GLN H . 27913 1 42 . 1 . 1 13 13 GLN CA C 13 52.490 0.3 . 1 . . . . . 10 GLN CA . 27913 1 43 . 1 . 1 13 13 GLN CB C 13 26.868 0.3 . 1 . . . . . 10 GLN CB . 27913 1 44 . 1 . 1 13 13 GLN N N 15 122.872 0.2 . 1 . . . . . 10 GLN N . 27913 1 45 . 1 . 1 14 14 GLU H H 1 8.262 0.009 . 1 . . . . . 11 GLU H . 27913 1 46 . 1 . 1 14 14 GLU CA C 13 53.802 0.3 . 1 . . . . . 11 GLU CA . 27913 1 47 . 1 . 1 14 14 GLU CB C 13 27.221 0.3 . 1 . . . . . 11 GLU CB . 27913 1 48 . 1 . 1 14 14 GLU N N 15 122.458 0.2 . 1 . . . . . 11 GLU N . 27913 1 49 . 1 . 1 15 15 ASN H H 1 8.340 0.009 . 1 . . . . . 12 ASN H . 27913 1 50 . 1 . 1 15 15 ASN CA C 13 50.430 0.3 . 1 . . . . . 12 ASN CA . 27913 1 51 . 1 . 1 15 15 ASN CB C 13 35.740 0.3 . 1 . . . . . 12 ASN CB . 27913 1 52 . 1 . 1 15 15 ASN N N 15 119.817 0.2 . 1 . . . . . 12 ASN N . 27913 1 53 . 1 . 1 16 16 LYS H H 1 8.083 0.009 . 1 . . . . . 13 LYS H . 27913 1 54 . 1 . 1 16 16 LYS CA C 13 52.921 0.3 . 1 . . . . . 13 LYS CA . 27913 1 55 . 1 . 1 16 16 LYS CB C 13 30.080 0.3 . 1 . . . . . 13 LYS CB . 27913 1 56 . 1 . 1 16 16 LYS N N 15 121.761 0.2 . 1 . . . . . 13 LYS N . 27913 1 57 . 1 . 1 17 17 ALA H H 1 8.104 0.009 . 1 . . . . . 14 ALA H . 27913 1 58 . 1 . 1 17 17 ALA CA C 13 47.623 0.3 . 1 . . . . . 14 ALA CA . 27913 1 59 . 1 . 1 17 17 ALA CB C 13 15.141 0.3 . 1 . . . . . 14 ALA CB . 27913 1 60 . 1 . 1 17 17 ALA N N 15 126.282 0.2 . 1 . . . . . 14 ALA N . 27913 1 61 . 1 . 1 19 19 GLY H H 1 8.300 0.009 . 1 . . . . . 16 GLY H . 27913 1 62 . 1 . 1 19 19 GLY CA C 13 42.088 0.3 . 1 . . . . . 16 GLY CA . 27913 1 63 . 1 . 1 19 19 GLY N N 15 108.951 0.2 . 1 . . . . . 16 GLY N . 27913 1 64 . 1 . 1 20 20 LYS H H 1 8.029 0.009 . 1 . . . . . 17 LYS H . 27913 1 65 . 1 . 1 20 20 LYS CA C 13 53.194 0.3 . 1 . . . . . 17 LYS CA . 27913 1 66 . 1 . 1 20 20 LYS CB C 13 30.189 0.3 . 1 . . . . . 17 LYS CB . 27913 1 67 . 1 . 1 20 20 LYS N N 15 120.898 0.2 . 1 . . . . . 17 LYS N . 27913 1 68 . 1 . 1 21 21 LYS H H 1 8.280 0.009 . 1 . . . . . 18 LYS H . 27913 1 69 . 1 . 1 21 21 LYS CA C 13 53.399 0.3 . 1 . . . . . 18 LYS CA . 27913 1 70 . 1 . 1 21 21 LYS CB C 13 30.298 0.3 . 1 . . . . . 18 LYS CB . 27913 1 71 . 1 . 1 21 21 LYS N N 15 123.530 0.2 . 1 . . . . . 18 LYS N . 27913 1 72 . 1 . 1 22 22 LYS H H 1 8.310 0.009 . 1 . . . . . 19 LYS H . 27913 1 73 . 1 . 1 22 22 LYS CA C 13 53.230 0.3 . 1 . . . . . 19 LYS CA . 27913 1 74 . 1 . 1 22 22 LYS CB C 13 30.266 0.3 . 1 . . . . . 19 LYS CB . 27913 1 75 . 1 . 1 22 22 LYS N N 15 123.670 0.2 . 1 . . . . . 19 LYS N . 27913 1 76 . 1 . 1 23 23 LYS H H 1 8.236 0.009 . 1 . . . . . 20 LYS H . 27913 1 77 . 1 . 1 23 23 LYS CA C 13 53.464 0.3 . 1 . . . . . 20 LYS CA . 27913 1 78 . 1 . 1 23 23 LYS CB C 13 30.100 0.3 . 1 . . . . . 20 LYS CB . 27913 1 79 . 1 . 1 23 23 LYS N N 15 122.935 0.2 . 1 . . . . . 20 LYS N . 27913 1 80 . 1 . 1 24 24 ARG H H 1 8.334 0.009 . 1 . . . . . 21 ARG H . 27913 1 81 . 1 . 1 24 24 ARG CA C 13 53.338 0.3 . 1 . . . . . 21 ARG CA . 27913 1 82 . 1 . 1 24 24 ARG CB C 13 27.985 0.3 . 1 . . . . . 21 ARG CB . 27913 1 83 . 1 . 1 24 24 ARG N N 15 123.444 0.2 . 1 . . . . . 21 ARG N . 27913 1 84 . 1 . 1 25 25 ALA H H 1 8.279 0.009 . 1 . . . . . 22 ALA H . 27913 1 85 . 1 . 1 25 25 ALA CA C 13 49.376 0.3 . 1 . . . . . 22 ALA CA . 27913 1 86 . 1 . 1 25 25 ALA CB C 13 16.229 0.3 . 1 . . . . . 22 ALA CB . 27913 1 87 . 1 . 1 25 25 ALA N N 15 126.089 0.2 . 1 . . . . . 22 ALA N . 27913 1 88 . 1 . 1 26 26 LEU H H 1 8.104 0.009 . 1 . . . . . 23 LEU H . 27913 1 89 . 1 . 1 26 26 LEU CA C 13 52.130 0.3 . 1 . . . . . 23 LEU CA . 27913 1 90 . 1 . 1 26 26 LEU CB C 13 39.443 0.3 . 1 . . . . . 23 LEU CB . 27913 1 91 . 1 . 1 26 26 LEU N N 15 121.851 0.2 . 1 . . . . . 23 LEU N . 27913 1 92 . 1 . 1 27 27 ALA H H 1 8.182 0.009 . 1 . . . . . 24 ALA H . 27913 1 93 . 1 . 1 27 27 ALA CA C 13 49.552 0.3 . 1 . . . . . 24 ALA CA . 27913 1 94 . 1 . 1 27 27 ALA CB C 13 16.168 0.3 . 1 . . . . . 24 ALA CB . 27913 1 95 . 1 . 1 27 27 ALA N N 15 124.822 0.2 . 1 . . . . . 24 ALA N . 27913 1 96 . 1 . 1 28 28 SER H H 1 8.094 0.009 . 1 . . . . . 25 SER H . 27913 1 97 . 1 . 1 28 28 SER CA C 13 55.465 0.3 . 1 . . . . . 25 SER CA . 27913 1 98 . 1 . 1 28 28 SER CB C 13 60.778 0.3 . 1 . . . . . 25 SER CB . 27913 1 99 . 1 . 1 28 28 SER N N 15 114.511 0.2 . 1 . . . . . 25 SER N . 27913 1 100 . 1 . 1 29 29 ASN H H 1 8.284 0.009 . 1 . . . . . 26 ASN H . 27913 1 101 . 1 . 1 29 29 ASN CA C 13 50.494 0.3 . 1 . . . . . 26 ASN CA . 27913 1 102 . 1 . 1 29 29 ASN CB C 13 35.724 0.3 . 1 . . . . . 26 ASN CB . 27913 1 103 . 1 . 1 29 29 ASN N N 15 120.441 0.2 . 1 . . . . . 26 ASN N . 27913 1 104 . 1 . 1 30 30 THR H H 1 7.927 0.009 . 1 . . . . . 27 THR H . 27913 1 105 . 1 . 1 30 30 THR CA C 13 59.171 0.3 . 1 . . . . . 27 THR CA . 27913 1 106 . 1 . 1 30 30 THR CB C 13 66.748 0.3 . 1 . . . . . 27 THR CB . 27913 1 107 . 1 . 1 30 30 THR N N 15 113.338 0.2 . 1 . . . . . 27 THR N . 27913 1 108 . 1 . 1 31 31 SER H H 1 8.071 0.009 . 1 . . . . . 28 SER H . 27913 1 109 . 1 . 1 31 31 SER CA C 13 55.789 0.3 . 1 . . . . . 28 SER CA . 27913 1 110 . 1 . 1 31 31 SER CB C 13 60.759 0.3 . 1 . . . . . 28 SER CB . 27913 1 111 . 1 . 1 31 31 SER N N 15 117.738 0.2 . 1 . . . . . 28 SER N . 27913 1 112 . 1 . 1 32 32 PHE H H 1 7.949 0.009 . 1 . . . . . 29 PHE H . 27913 1 113 . 1 . 1 32 32 PHE CA C 13 54.929 0.3 . 1 . . . . . 29 PHE CA . 27913 1 114 . 1 . 1 32 32 PHE CB C 13 36.573 0.3 . 1 . . . . . 29 PHE CB . 27913 1 115 . 1 . 1 32 32 PHE N N 15 121.742 0.2 . 1 . . . . . 29 PHE N . 27913 1 116 . 1 . 1 33 33 PHE H H 1 7.978 0.009 . 1 . . . . . 30 PHE H . 27913 1 117 . 1 . 1 33 33 PHE CA C 13 54.645 0.3 . 1 . . . . . 30 PHE CA . 27913 1 118 . 1 . 1 33 33 PHE CB C 13 36.809 0.3 . 1 . . . . . 30 PHE CB . 27913 1 119 . 1 . 1 33 33 PHE N N 15 121.761 0.2 . 1 . . . . . 30 PHE N . 27913 1 120 . 1 . 1 34 34 SER H H 1 8.234 0.009 . 1 . . . . . 31 SER H . 27913 1 121 . 1 . 1 34 34 SER CA C 13 55.771 0.3 . 1 . . . . . 31 SER CA . 27913 1 122 . 1 . 1 34 34 SER CB C 13 60.959 0.3 . 1 . . . . . 31 SER CB . 27913 1 123 . 1 . 1 34 34 SER N N 15 118.378 0.2 . 1 . . . . . 31 SER N . 27913 1 124 . 1 . 1 35 35 GLY H H 1 7.705 0.009 . 1 . . . . . 32 GLY H . 27913 1 125 . 1 . 1 35 35 GLY CA C 13 42.335 0.3 . 1 . . . . . 32 GLY CA . 27913 1 126 . 1 . 1 35 35 GLY N N 15 110.597 0.2 . 1 . . . . . 32 GLY N . 27913 1 127 . 1 . 1 36 36 LEU H H 1 7.867 0.009 . 1 . . . . . 33 LEU H . 27913 1 128 . 1 . 1 36 36 LEU CA C 13 51.812 0.3 . 1 . . . . . 33 LEU CA . 27913 1 129 . 1 . 1 36 36 LEU CB C 13 39.542 0.3 . 1 . . . . . 33 LEU CB . 27913 1 130 . 1 . 1 36 36 LEU N N 15 120.995 0.2 . 1 . . . . . 33 LEU N . 27913 1 131 . 1 . 1 37 37 GLU H H 1 8.198 0.009 . 1 . . . . . 34 GLU H . 27913 1 132 . 1 . 1 37 37 GLU CA C 13 51.618 0.3 . 1 . . . . . 34 GLU CA . 27913 1 133 . 1 . 1 37 37 GLU CB C 13 26.511 0.3 . 1 . . . . . 34 GLU CB . 27913 1 134 . 1 . 1 37 37 GLU N N 15 122.652 0.2 . 1 . . . . . 34 GLU N . 27913 1 135 . 1 . 1 39 39 ILE H H 1 8.085 0.009 . 1 . . . . . 36 ILE H . 27913 1 136 . 1 . 1 39 39 ILE CA C 13 57.977 0.3 . 1 . . . . . 36 ILE CA . 27913 1 137 . 1 . 1 39 39 ILE CB C 13 35.863 0.3 . 1 . . . . . 36 ILE CB . 27913 1 138 . 1 . 1 39 39 ILE N N 15 121.308 0.2 . 1 . . . . . 36 ILE N . 27913 1 139 . 1 . 1 40 40 GLU H H 1 8.307 0.009 . 1 . . . . . 37 GLU H . 27913 1 140 . 1 . 1 40 40 GLU CA C 13 53.207 0.3 . 1 . . . . . 37 GLU CA . 27913 1 141 . 1 . 1 40 40 GLU CB C 13 27.588 0.3 . 1 . . . . . 37 GLU CB . 27913 1 142 . 1 . 1 40 40 GLU N N 15 125.300 0.2 . 1 . . . . . 37 GLU N . 27913 1 143 . 1 . 1 41 41 GLU H H 1 8.294 0.009 . 1 . . . . . 38 GLU H . 27913 1 144 . 1 . 1 41 41 GLU CA C 13 53.176 0.3 . 1 . . . . . 38 GLU CA . 27913 1 145 . 1 . 1 41 41 GLU CB C 13 27.772 0.3 . 1 . . . . . 38 GLU CB . 27913 1 146 . 1 . 1 41 41 GLU N N 15 122.667 0.2 . 1 . . . . . 38 GLU N . 27913 1 147 . 1 . 1 42 42 GLU H H 1 8.406 0.009 . 1 . . . . . 39 GLU H . 27913 1 148 . 1 . 1 42 42 GLU CA C 13 51.319 0.3 . 1 . . . . . 39 GLU CA . 27913 1 149 . 1 . 1 42 42 GLU CB C 13 26.880 0.3 . 1 . . . . . 39 GLU CB . 27913 1 150 . 1 . 1 42 42 GLU N N 15 123.827 0.2 . 1 . . . . . 39 GLU N . 27913 1 151 . 1 . 1 44 44 GLU H H 1 7.939 0.009 . 1 . . . . . 41 GLU H . 27913 1 152 . 1 . 1 44 44 GLU CA C 13 55.267 0.3 . 1 . . . . . 41 GLU CA . 27913 1 153 . 1 . 1 44 44 GLU CB C 13 28.140 0.3 . 1 . . . . . 41 GLU CB . 27913 1 154 . 1 . 1 44 44 GLU N N 15 126.240 0.2 . 1 . . . . . 41 GLU N . 27913 1 stop_ save_