data_27016 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27016 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the DHDD Region of GbnD4 KS14 from the Gladiolin Polyketide Synthase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-01-27 _Entry.Accession_date 2017-01-27 _Entry.Last_release_date 2017-01-30 _Entry.Original_release_date 2017-01-30 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 Matthew Jenner . . . . 27016 2 Simone Kosol . . . . 27016 3 Jozef Lewandowski . R. . . 27016 4 Gregory Challis . L. . . 27016 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'The University of Warwick' . 27016 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27016 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 230 27016 '15N chemical shifts' 69 27016 '1H chemical shifts' 69 27016 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 . . 2018-03-22 2017-01-27 update BMRB 'update entry citation' 27016 1 . . 2017-12-12 2017-01-27 original author 'original release' 27016 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 27016 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/nchembio.2549 _Citation.PubMed_ID 29309054 _Citation.Full_citation . _Citation.Title ; Mechanism of intersubunit ketosynthase-dehydratase interaction in polyketide synthases ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Chem. Biol.' _Citation.Journal_name_full 'Nature chemical biology' _Citation.Journal_volume 14 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1552-4469 _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 270 _Citation.Page_last 275 _Citation.Year 2018 _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 Matthew Jenner . . . . 27016 1 2 Simone Kosol . . . . 27016 1 3 Daniel Griffiths . . . . 27016 1 4 Panward Prasongpolchai . . . . 27016 1 5 Lucio Manzi . . . . 27016 1 6 Andrew Barrow . S. . . 27016 1 7 John Moses . E. . . 27016 1 8 Neil Oldham . J. . . 27016 1 9 Jozef Lewandowski . R. . . 27016 1 10 Gregory Challis . L. . . 27016 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27016 _Assembly.ID 1 _Assembly.Name 'Gladiolin binding domain monomer' _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 9995.1 _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 'Protein DHDD' 1 $DHDD A . yes native no no . . . 27016 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DHDD _Entity.Sf_category entity _Entity.Sf_framecode DHDD _Entity.Entry_ID 27016 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DHDD _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 ; MKHHHHHHHHGGLVPRGSHG SDEGVPDALRADTVPRAGPV RYARRRYWIGEARSDALAPA APLEREPLPAEAMGAYFAIR RTDADDTVAAH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 91 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Polyketide synthase module communication' 27016 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 . MET . 27016 1 2 . LYS . 27016 1 3 . HIS . 27016 1 4 . HIS . 27016 1 5 . HIS . 27016 1 6 . HIS . 27016 1 7 . HIS . 27016 1 8 . HIS . 27016 1 9 . HIS . 27016 1 10 . HIS . 27016 1 11 . GLY . 27016 1 12 . GLY . 27016 1 13 . LEU . 27016 1 14 . VAL . 27016 1 15 . PRO . 27016 1 16 . ARG . 27016 1 17 . GLY . 27016 1 18 . SER . 27016 1 19 . HIS . 27016 1 20 . GLY . 27016 1 21 . SER . 27016 1 22 . ASP . 27016 1 23 . GLU . 27016 1 24 . GLY . 27016 1 25 . VAL . 27016 1 26 . PRO . 27016 1 27 . ASP . 27016 1 28 . ALA . 27016 1 29 . LEU . 27016 1 30 . ARG . 27016 1 31 . ALA . 27016 1 32 . ASP . 27016 1 33 . THR . 27016 1 34 . VAL . 27016 1 35 . PRO . 27016 1 36 . ARG . 27016 1 37 . ALA . 27016 1 38 . GLY . 27016 1 39 . PRO . 27016 1 40 . VAL . 27016 1 41 . ARG . 27016 1 42 . TYR . 27016 1 43 . ALA . 27016 1 44 . ARG . 27016 1 45 . ARG . 27016 1 46 . ARG . 27016 1 47 . TYR . 27016 1 48 . TRP . 27016 1 49 . ILE . 27016 1 50 . GLY . 27016 1 51 . GLU . 27016 1 52 . ALA . 27016 1 53 . ARG . 27016 1 54 . SER . 27016 1 55 . ASP . 27016 1 56 . ALA . 27016 1 57 . LEU . 27016 1 58 . ALA . 27016 1 59 . PRO . 27016 1 60 . ALA . 27016 1 61 . ALA . 27016 1 62 . PRO . 27016 1 63 . LEU . 27016 1 64 . GLU . 27016 1 65 . ARG . 27016 1 66 . GLU . 27016 1 67 . PRO . 27016 1 68 . LEU . 27016 1 69 . PRO . 27016 1 70 . ALA . 27016 1 71 . GLU . 27016 1 72 . ALA . 27016 1 73 . MET . 27016 1 74 . GLY . 27016 1 75 . ALA . 27016 1 76 . TYR . 27016 1 77 . PHE . 27016 1 78 . ALA . 27016 1 79 . ILE . 27016 1 80 . ARG . 27016 1 81 . ARG . 27016 1 82 . THR . 27016 1 83 . ASP . 27016 1 84 . ALA . 27016 1 85 . ASP . 27016 1 86 . ASP . 27016 1 87 . THR . 27016 1 88 . VAL . 27016 1 89 . ALA . 27016 1 90 . ALA . 27016 1 91 . HIS . 27016 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27016 1 . LYS 2 2 27016 1 . HIS 3 3 27016 1 . HIS 4 4 27016 1 . HIS 5 5 27016 1 . HIS 6 6 27016 1 . HIS 7 7 27016 1 . HIS 8 8 27016 1 . HIS 9 9 27016 1 . HIS 10 10 27016 1 . GLY 11 11 27016 1 . GLY 12 12 27016 1 . LEU 13 13 27016 1 . VAL 14 14 27016 1 . PRO 15 15 27016 1 . ARG 16 16 27016 1 . GLY 17 17 27016 1 . SER 18 18 27016 1 . HIS 19 19 27016 1 . GLY 20 20 27016 1 . SER 21 21 27016 1 . ASP 22 22 27016 1 . GLU 23 23 27016 1 . GLY 24 24 27016 1 . VAL 25 25 27016 1 . PRO 26 26 27016 1 . ASP 27 27 27016 1 . ALA 28 28 27016 1 . LEU 29 29 27016 1 . ARG 30 30 27016 1 . ALA 31 31 27016 1 . ASP 32 32 27016 1 . THR 33 33 27016 1 . VAL 34 34 27016 1 . PRO 35 35 27016 1 . ARG 36 36 27016 1 . ALA 37 37 27016 1 . GLY 38 38 27016 1 . PRO 39 39 27016 1 . VAL 40 40 27016 1 . ARG 41 41 27016 1 . TYR 42 42 27016 1 . ALA 43 43 27016 1 . ARG 44 44 27016 1 . ARG 45 45 27016 1 . ARG 46 46 27016 1 . TYR 47 47 27016 1 . TRP 48 48 27016 1 . ILE 49 49 27016 1 . GLY 50 50 27016 1 . GLU 51 51 27016 1 . ALA 52 52 27016 1 . ARG 53 53 27016 1 . SER 54 54 27016 1 . ASP 55 55 27016 1 . ALA 56 56 27016 1 . LEU 57 57 27016 1 . ALA 58 58 27016 1 . PRO 59 59 27016 1 . ALA 60 60 27016 1 . ALA 61 61 27016 1 . PRO 62 62 27016 1 . LEU 63 63 27016 1 . GLU 64 64 27016 1 . ARG 65 65 27016 1 . GLU 66 66 27016 1 . PRO 67 67 27016 1 . LEU 68 68 27016 1 . PRO 69 69 27016 1 . ALA 70 70 27016 1 . GLU 71 71 27016 1 . ALA 72 72 27016 1 . MET 73 73 27016 1 . GLY 74 74 27016 1 . ALA 75 75 27016 1 . TYR 76 76 27016 1 . PHE 77 77 27016 1 . ALA 78 78 27016 1 . ILE 79 79 27016 1 . ARG 80 80 27016 1 . ARG 81 81 27016 1 . THR 82 82 27016 1 . ASP 83 83 27016 1 . ALA 84 84 27016 1 . ASP 85 85 27016 1 . ASP 86 86 27016 1 . THR 87 87 27016 1 . VAL 88 88 27016 1 . ALA 89 89 27016 1 . ALA 90 90 27016 1 . HIS 91 91 27016 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 27016 _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 $DHDD . 28095 organism . 'Burkholderia gladioli' 'Burkholderia gladioli' . . Bacteria . Burkholderia gladioli . . . . . . . . . . . . . 27016 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 27016 _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 $DHDD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pet24a . . . 27016 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27016 _Sample.ID 1 _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 'Protein DHDD' '[U-99% 13C; U-99% 15N]' . . 1 $DHDD . . 0.3 0.1 0.5 mM . . . . 27016 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27016 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 27016 1 4 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 27016 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 27016 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.28 . M 27016 1 pH 6.8 . pH 27016 1 pressure 1 . atm 27016 1 temperature 280 . K 27016 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27016 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27016 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27016 1 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 27016 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27016 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27016 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 27016 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27016 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 27016 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 27016 _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 . . . . . . . . . . . . . . . . 27016 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27016 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27016 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27016 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27016 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27016 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27016 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 27016 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 0.00 na indirect 0.251449530 . . . . . 27016 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27016 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27016 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 27016 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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' . . . 27016 1 2 '3D HNCA' . . . 27016 1 3 '3D HNCO' . . . 27016 1 4 '3D HNCACB' . . . 27016 1 5 '3D HN(CO)CA' . . . 27016 1 6 '3D HN(CA)CO' . . . 27016 1 7 '3D CBCA(CO)NH' . . . 27016 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 LYS C C 13 175.581 . . 1 . . . . . 2 K C . 27016 1 2 . 1 1 2 2 LYS CA C 13 55.999 . . 1 . . . . . 2 K CA . 27016 1 3 . 1 1 2 2 LYS CB C 13 32.740 . . 1 . . . . . 2 K CB . 27016 1 4 . 1 1 3 3 HIS H H 1 8.401 . . 1 . . . . . 3 H HN . 27016 1 5 . 1 1 3 3 HIS C C 13 174.236 . . 1 . . . . . 3 H C . 27016 1 6 . 1 1 3 3 HIS CA C 13 55.551 . . 1 . . . . . 3 H CA . 27016 1 7 . 1 1 3 3 HIS CB C 13 29.774 . . 1 . . . . . 3 H CB . 27016 1 8 . 1 1 3 3 HIS N N 15 120.949 . . 1 . . . . . 3 H N . 27016 1 9 . 1 1 4 4 HIS H H 1 8.491 . . 1 . . . . . 4 H HN . 27016 1 10 . 1 1 4 4 HIS N N 15 121.040 . . 1 . . . . . 4 H N . 27016 1 11 . 1 1 10 10 HIS C C 13 175.260 . . 1 . . . . . 10 H C . 27016 1 12 . 1 1 10 10 HIS CA C 13 55.927 . . 1 . . . . . 10 H CA . 27016 1 13 . 1 1 10 10 HIS CB C 13 29.636 . . 1 . . . . . 10 H CB . 27016 1 14 . 1 1 11 11 GLY H H 1 8.399 . . 1 . . . . . 11 G HN . 27016 1 15 . 1 1 11 11 GLY C C 13 174.284 . . 1 . . . . . 11 G C . 27016 1 16 . 1 1 11 11 GLY CA C 13 45.279 . . 1 . . . . . 11 G CA . 27016 1 17 . 1 1 11 11 GLY N N 15 110.626 . . 1 . . . . . 11 G N . 27016 1 18 . 1 1 12 12 GLY H H 1 8.169 . . 1 . . . . . 12 G HN . 27016 1 19 . 1 1 12 12 GLY C C 13 173.680 . . 1 . . . . . 12 G C . 27016 1 20 . 1 1 12 12 GLY CA C 13 44.769 . . 1 . . . . . 12 G CA . 27016 1 21 . 1 1 12 12 GLY N N 15 108.788 . . 1 . . . . . 12 G N . 27016 1 22 . 1 1 13 13 LEU H H 1 8.011 . . 1 . . . . . 13 L HN . 27016 1 23 . 1 1 13 13 LEU C C 13 177.063 . . 1 . . . . . 13 L C . 27016 1 24 . 1 1 13 13 LEU CA C 13 55.011 . . 1 . . . . . 13 L CA . 27016 1 25 . 1 1 13 13 LEU CB C 13 46.425 . . 1 . . . . . 13 L CB . 27016 1 26 . 1 1 13 13 LEU N N 15 121.446 . . 1 . . . . . 13 L N . 27016 1 27 . 1 1 14 14 VAL H H 1 8.018 . . 1 . . . . . 14 V HN . 27016 1 28 . 1 1 14 14 VAL C C 13 174.098 . . 1 . . . . . 14 V C . 27016 1 29 . 1 1 14 14 VAL CA C 13 59.608 . . 1 . . . . . 14 V CA . 27016 1 30 . 1 1 14 14 VAL CB C 13 32.335 . . 1 . . . . . 14 V CB . 27016 1 31 . 1 1 14 14 VAL N N 15 123.044 . . 1 . . . . . 14 V N . 27016 1 32 . 1 1 15 15 PRO C C 13 176.652 . . 1 . . . . . 15 P C . 27016 1 33 . 1 1 15 15 PRO CA C 13 62.947 . . 1 . . . . . 15 P CA . 27016 1 34 . 1 1 15 15 PRO CB C 13 31.720 . . 1 . . . . . 15 P CB . 27016 1 35 . 1 1 16 16 ARG H H 1 8.377 . . 1 . . . . . 16 R HN . 27016 1 36 . 1 1 16 16 ARG C C 13 176.888 . . 1 . . . . . 16 R C . 27016 1 37 . 1 1 16 16 ARG CA C 13 56.322 . . 1 . . . . . 16 R CA . 27016 1 38 . 1 1 16 16 ARG CB C 13 30.622 . . 1 . . . . . 16 R CB . 27016 1 39 . 1 1 16 16 ARG N N 15 122.221 . . 1 . . . . . 16 R N . 27016 1 40 . 1 1 17 17 GLY H H 1 8.369 . . 1 . . . . . 17 G HN . 27016 1 41 . 1 1 17 17 GLY C C 13 173.955 . . 1 . . . . . 17 G C . 27016 1 42 . 1 1 17 17 GLY CA C 13 44.920 . . 1 . . . . . 17 G CA . 27016 1 43 . 1 1 17 17 GLY N N 15 110.470 . . 1 . . . . . 17 G N . 27016 1 44 . 1 1 18 18 SER H H 1 8.071 . . 1 . . . . . 18 S HN . 27016 1 45 . 1 1 18 18 SER C C 13 174.260 . . 1 . . . . . 18 S C . 27016 1 46 . 1 1 18 18 SER CA C 13 58.200 . . 1 . . . . . 18 S CA . 27016 1 47 . 1 1 18 18 SER CB C 13 63.625 . . 1 . . . . . 18 S CB . 27016 1 48 . 1 1 18 18 SER N N 15 115.505 . . 1 . . . . . 18 S N . 27016 1 49 . 1 1 19 19 HIS H H 1 8.425 . . 1 . . . . . 19 H HN . 27016 1 50 . 1 1 19 19 HIS C C 13 175.085 . . 1 . . . . . 19 H C . 27016 1 51 . 1 1 19 19 HIS CA C 13 55.735 . . 1 . . . . . 19 H CA . 27016 1 52 . 1 1 19 19 HIS CB C 13 29.337 . . 1 . . . . . 19 H CB . 27016 1 53 . 1 1 19 19 HIS N N 15 120.625 . . 1 . . . . . 19 H N . 27016 1 54 . 1 1 20 20 GLY H H 1 8.313 . . 1 . . . . . 20 G HN . 27016 1 55 . 1 1 20 20 GLY C C 13 174.019 . . 1 . . . . . 20 G C . 27016 1 56 . 1 1 20 20 GLY CA C 13 45.108 . . 1 . . . . . 20 G CA . 27016 1 57 . 1 1 20 20 GLY N N 15 110.221 . . 1 . . . . . 20 G N . 27016 1 58 . 1 1 21 21 SER H H 1 8.159 . . 1 . . . . . 21 S HN . 27016 1 59 . 1 1 21 21 SER C C 13 174.181 . . 1 . . . . . 21 S C . 27016 1 60 . 1 1 21 21 SER CA C 13 58.216 . . 1 . . . . . 21 S CA . 27016 1 61 . 1 1 21 21 SER CB C 13 63.607 . . 1 . . . . . 21 S CB . 27016 1 62 . 1 1 21 21 SER N N 15 115.787 . . 1 . . . . . 21 S N . 27016 1 63 . 1 1 22 22 ASP H H 1 8.297 . . 1 . . . . . 22 D HN . 27016 1 64 . 1 1 22 22 ASP C C 13 176.023 . . 1 . . . . . 22 D C . 27016 1 65 . 1 1 22 22 ASP CA C 13 54.118 . . 1 . . . . . 22 D CA . 27016 1 66 . 1 1 22 22 ASP CB C 13 40.624 . . 1 . . . . . 22 D CB . 27016 1 67 . 1 1 22 22 ASP N N 15 122.087 . . 1 . . . . . 22 D N . 27016 1 68 . 1 1 23 23 GLU H H 1 8.137 . . 1 . . . . . 23 E HN . 27016 1 69 . 1 1 23 23 GLU C C 13 176.711 . . 1 . . . . . 23 E C . 27016 1 70 . 1 1 23 23 GLU CA C 13 56.562 . . 1 . . . . . 23 E CA . 27016 1 71 . 1 1 23 23 GLU CB C 13 29.857 . . 1 . . . . . 23 E CB . 27016 1 72 . 1 1 23 23 GLU N N 15 120.780 . . 1 . . . . . 23 E N . 27016 1 73 . 1 1 24 24 GLY H H 1 8.241 . . 1 . . . . . 24 G HN . 27016 1 74 . 1 1 24 24 GLY C C 13 173.529 . . 1 . . . . . 24 G C . 27016 1 75 . 1 1 24 24 GLY CA C 13 44.855 . . 1 . . . . . 24 G CA . 27016 1 76 . 1 1 24 24 GLY N N 15 109.594 . . 1 . . . . . 24 G N . 27016 1 77 . 1 1 25 25 VAL H H 1 7.817 . . 1 . . . . . 25 V HN . 27016 1 78 . 1 1 25 25 VAL C C 13 174.385 . . 1 . . . . . 25 V C . 27016 1 79 . 1 1 25 25 VAL CA C 13 59.704 . . 1 . . . . . 25 V CA . 27016 1 80 . 1 1 25 25 VAL CB C 13 32.308 . . 1 . . . . . 25 V CB . 27016 1 81 . 1 1 25 25 VAL N N 15 121.059 . . 1 . . . . . 25 V N . 27016 1 82 . 1 1 26 26 PRO C C 13 176.566 . . 1 . . . . . 26 P C . 27016 1 83 . 1 1 26 26 PRO CA C 13 63.054 . . 1 . . . . . 26 P CA . 27016 1 84 . 1 1 26 26 PRO CB C 13 31.835 . . 1 . . . . . 26 P CB . 27016 1 85 . 1 1 27 27 ASP H H 1 8.264 . . 1 . . . . . 27 D HN . 27016 1 86 . 1 1 27 27 ASP C C 13 176.348 . . 1 . . . . . 27 D C . 27016 1 87 . 1 1 27 27 ASP CA C 13 54.648 . . 1 . . . . . 27 D CA . 27016 1 88 . 1 1 27 27 ASP CB C 13 40.742 . . 1 . . . . . 27 D CB . 27016 1 89 . 1 1 27 27 ASP N N 15 120.914 . . 1 . . . . . 27 D N . 27016 1 90 . 1 1 28 28 ALA H H 1 8.135 . . 1 . . . . . 28 A HN . 27016 1 91 . 1 1 28 28 ALA C C 13 177.699 . . 1 . . . . . 28 A C . 27016 1 92 . 1 1 28 28 ALA CA C 13 52.777 . . 1 . . . . . 28 A CA . 27016 1 93 . 1 1 28 28 ALA CB C 13 18.800 . . 1 . . . . . 28 A CB . 27016 1 94 . 1 1 28 28 ALA N N 15 123.624 . . 1 . . . . . 28 A N . 27016 1 95 . 1 1 29 29 LEU H H 1 7.962 . . 1 . . . . . 29 L HN . 27016 1 96 . 1 1 29 29 LEU C C 13 177.257 . . 1 . . . . . 29 L C . 27016 1 97 . 1 1 29 29 LEU CA C 13 54.725 . . 1 . . . . . 29 L CA . 27016 1 98 . 1 1 29 29 LEU CB C 13 41.886 . . 1 . . . . . 29 L CB . 27016 1 99 . 1 1 29 29 LEU N N 15 119.713 . . 1 . . . . . 29 L N . 27016 1 100 . 1 1 30 30 ARG H H 1 7.862 . . 1 . . . . . 30 R HN . 27016 1 101 . 1 1 30 30 ARG C C 13 175.895 . . 1 . . . . . 30 R C . 27016 1 102 . 1 1 30 30 ARG CA C 13 55.872 . . 1 . . . . . 30 R CA . 27016 1 103 . 1 1 30 30 ARG CB C 13 30.629 . . 1 . . . . . 30 R CB . 27016 1 104 . 1 1 30 30 ARG N N 15 121.727 . . 1 . . . . . 30 R N . 27016 1 105 . 1 1 31 31 ALA H H 1 8.195 . . 1 . . . . . 31 A HN . 27016 1 106 . 1 1 31 31 ALA C C 13 177.289 . . 1 . . . . . 31 A C . 27016 1 107 . 1 1 31 31 ALA CA C 13 52.237 . . 1 . . . . . 31 A CA . 27016 1 108 . 1 1 31 31 ALA CB C 13 19.061 . . 1 . . . . . 31 A CB . 27016 1 109 . 1 1 31 31 ALA N N 15 125.254 . . 1 . . . . . 31 A N . 27016 1 110 . 1 1 32 32 ASP H H 1 8.174 . . 1 . . . . . 32 D HN . 27016 1 111 . 1 1 32 32 ASP C C 13 176.215 . . 1 . . . . . 32 D C . 27016 1 112 . 1 1 32 32 ASP CA C 13 54.032 . . 1 . . . . . 32 D CA . 27016 1 113 . 1 1 32 32 ASP CB C 13 40.783 . . 1 . . . . . 32 D CB . 27016 1 114 . 1 1 32 32 ASP N N 15 119.035 . . 1 . . . . . 32 D N . 27016 1 115 . 1 1 33 33 THR H H 1 7.838 . . 1 . . . . . 33 T HN . 27016 1 116 . 1 1 33 33 THR C C 13 174.209 . . 1 . . . . . 33 T C . 27016 1 117 . 1 1 33 33 THR CA C 13 61.682 . . 1 . . . . . 33 T CA . 27016 1 118 . 1 1 33 33 THR CB C 13 69.850 . . 1 . . . . . 33 T CB . 27016 1 119 . 1 1 33 33 THR N N 15 113.898 . . 1 . . . . . 33 T N . 27016 1 120 . 1 1 34 34 VAL H H 1 7.921 . . 1 . . . . . 34 V HN . 27016 1 121 . 1 1 34 34 VAL C C 13 174.074 . . 1 . . . . . 34 V C . 27016 1 122 . 1 1 34 34 VAL CA C 13 59.872 . . 1 . . . . . 34 V CA . 27016 1 123 . 1 1 34 34 VAL CB C 13 32.341 . . 1 . . . . . 34 V CB . 27016 1 124 . 1 1 34 34 VAL N N 15 124.354 . . 1 . . . . . 34 V N . 27016 1 125 . 1 1 35 35 PRO C C 13 176.512 . . 1 . . . . . 35 P C . 27016 1 126 . 1 1 35 35 PRO CA C 13 62.760 . . 1 . . . . . 35 P CA . 27016 1 127 . 1 1 35 35 PRO CB C 13 31.756 . . 1 . . . . . 35 P CB . 27016 1 128 . 1 1 36 36 ARG H H 1 8.286 . . 1 . . . . . 36 R HN . 27016 1 129 . 1 1 36 36 ARG C C 13 175.870 . . 1 . . . . . 36 R C . 27016 1 130 . 1 1 36 36 ARG CA C 13 55.796 . . 1 . . . . . 36 R CA . 27016 1 131 . 1 1 36 36 ARG CB C 13 30.612 . . 1 . . . . . 36 R CB . 27016 1 132 . 1 1 36 36 ARG N N 15 122.063 . . 1 . . . . . 36 R N . 27016 1 133 . 1 1 37 37 ALA H H 1 8.232 . . 1 . . . . . 37 A HN . 27016 1 134 . 1 1 37 37 ALA C C 13 177.453 . . 1 . . . . . 37 A C . 27016 1 135 . 1 1 37 37 ALA CA C 13 52.234 . . 1 . . . . . 37 A CA . 27016 1 136 . 1 1 37 37 ALA CB C 13 19.511 . . 1 . . . . . 37 A CB . 27016 1 137 . 1 1 37 37 ALA N N 15 125.514 . . 1 . . . . . 37 A N . 27016 1 138 . 1 1 38 38 GLY H H 1 8.042 . . 1 . . . . . 38 G HN . 27016 1 139 . 1 1 38 38 GLY C C 13 171.337 . . 1 . . . . . 38 G C . 27016 1 140 . 1 1 38 38 GLY CA C 13 44.235 . . 1 . . . . . 38 G CA . 27016 1 141 . 1 1 38 38 GLY N N 15 108.598 . . 1 . . . . . 38 G N . 27016 1 142 . 1 1 40 40 VAL C C 13 175.827 . . 1 . . . . . 40 V C . 27016 1 143 . 1 1 40 40 VAL CA C 13 62.318 . . 1 . . . . . 40 V CA . 27016 1 144 . 1 1 40 40 VAL CB C 13 32.402 . . 1 . . . . . 40 V CB . 27016 1 145 . 1 1 41 41 ARG H H 1 8.154 . . 1 . . . . . 41 R HN . 27016 1 146 . 1 1 41 41 ARG C C 13 175.465 . . 1 . . . . . 41 R C . 27016 1 147 . 1 1 41 41 ARG CA C 13 55.606 . . 1 . . . . . 41 R CA . 27016 1 148 . 1 1 41 41 ARG CB C 13 30.620 . . 1 . . . . . 41 R CB . 27016 1 149 . 1 1 41 41 ARG N N 15 124.973 . . 1 . . . . . 41 R N . 27016 1 150 . 1 1 42 42 TYR H H 1 8.034 . . 1 . . . . . 42 Y HN . 27016 1 151 . 1 1 42 42 TYR C C 13 175.184 . . 1 . . . . . 42 Y C . 27016 1 152 . 1 1 42 42 TYR CA C 13 57.372 . . 1 . . . . . 42 Y CA . 27016 1 153 . 1 1 42 42 TYR CB C 13 38.588 . . 1 . . . . . 42 Y CB . 27016 1 154 . 1 1 42 42 TYR N N 15 121.497 . . 1 . . . . . 42 Y N . 27016 1 155 . 1 1 43 43 ALA H H 1 8.090 . . 1 . . . . . 43 A HN . 27016 1 156 . 1 1 43 43 ALA C C 13 177.069 . . 1 . . . . . 43 A C . 27016 1 157 . 1 1 43 43 ALA CA C 13 52.445 . . 1 . . . . . 43 A CA . 27016 1 158 . 1 1 43 43 ALA CB C 13 19.180 . . 1 . . . . . 43 A CB . 27016 1 159 . 1 1 43 43 ALA N N 15 125.251 . . 1 . . . . . 43 A N . 27016 1 160 . 1 1 44 44 ARG H H 1 8.074 . . 1 . . . . . 44 R HN . 27016 1 161 . 1 1 44 44 ARG C C 13 176.063 . . 1 . . . . . 44 R C . 27016 1 162 . 1 1 44 44 ARG CA C 13 55.983 . . 1 . . . . . 44 R CA . 27016 1 163 . 1 1 44 44 ARG CB C 13 30.504 . . 1 . . . . . 44 R CB . 27016 1 164 . 1 1 44 44 ARG N N 15 120.188 . . 1 . . . . . 44 R N . 27016 1 165 . 1 1 48 48 TRP C C 13 175.586 . . 1 . . . . . 48 W C . 27016 1 166 . 1 1 49 49 ILE H H 1 7.832 . . 1 . . . . . 49 I HN . 27016 1 167 . 1 1 49 49 ILE C C 13 175.947 . . 1 . . . . . 49 I C . 27016 1 168 . 1 1 49 49 ILE CA C 13 61.261 . . 1 . . . . . 49 I CA . 27016 1 169 . 1 1 49 49 ILE CB C 13 38.500 . . 1 . . . . . 49 I CB . 27016 1 170 . 1 1 49 49 ILE N N 15 123.137 . . 1 . . . . . 49 I N . 27016 1 171 . 1 1 50 50 GLY H H 1 7.634 . . 1 . . . . . 50 G HN . 27016 1 172 . 1 1 50 50 GLY C C 13 173.600 . . 1 . . . . . 50 G C . 27016 1 173 . 1 1 50 50 GLY CA C 13 44.746 . . 1 . . . . . 50 G CA . 27016 1 174 . 1 1 50 50 GLY N N 15 112.070 . . 1 . . . . . 50 G N . 27016 1 175 . 1 1 51 51 GLU H H 1 7.940 . . 1 . . . . . 51 E HN . 27016 1 176 . 1 1 51 51 GLU C C 13 175.954 . . 1 . . . . . 51 E C . 27016 1 177 . 1 1 51 51 GLU CA C 13 56.125 . . 1 . . . . . 51 E CA . 27016 1 178 . 1 1 51 51 GLU CB C 13 30.265 . . 1 . . . . . 51 E CB . 27016 1 179 . 1 1 51 51 GLU N N 15 120.500 . . 1 . . . . . 51 E N . 27016 1 180 . 1 1 52 52 ALA C C 13 177.405 . . 1 . . . . . 52 A C . 27016 1 181 . 1 1 52 52 ALA CA C 13 52.298 . . 1 . . . . . 52 A CA . 27016 1 182 . 1 1 52 52 ALA CB C 13 18.806 . . 1 . . . . . 52 A CB . 27016 1 183 . 1 1 53 53 ARG H H 1 8.120 . . 1 . . . . . 53 R HN . 27016 1 184 . 1 1 53 53 ARG C C 13 176.372 . . 1 . . . . . 53 R C . 27016 1 185 . 1 1 53 53 ARG CA C 13 55.870 . . 1 . . . . . 53 R CA . 27016 1 186 . 1 1 53 53 ARG CB C 13 30.854 . . 1 . . . . . 53 R CB . 27016 1 187 . 1 1 53 53 ARG N N 15 120.597 . . 1 . . . . . 53 R N . 27016 1 188 . 1 1 54 54 SER H H 1 8.221 . . 1 . . . . . 54 S HN . 27016 1 189 . 1 1 54 54 SER C C 13 174.126 . . 1 . . . . . 54 S C . 27016 1 190 . 1 1 54 54 SER CA C 13 58.275 . . 1 . . . . . 54 S CA . 27016 1 191 . 1 1 54 54 SER CB C 13 63.508 . . 1 . . . . . 54 S CB . 27016 1 192 . 1 1 54 54 SER N N 15 116.994 . . 1 . . . . . 54 S N . 27016 1 193 . 1 1 55 55 ASP H H 1 8.159 . . 1 . . . . . 55 D HN . 27016 1 194 . 1 1 55 55 ASP C C 13 175.741 . . 1 . . . . . 55 D C . 27016 1 195 . 1 1 55 55 ASP CA C 13 53.814 . . 1 . . . . . 55 D CA . 27016 1 196 . 1 1 55 55 ASP CB C 13 40.592 . . 1 . . . . . 55 D CB . 27016 1 197 . 1 1 55 55 ASP N N 15 122.086 . . 1 . . . . . 55 D N . 27016 1 198 . 1 1 56 56 ALA H H 1 7.906 . . 1 . . . . . 56 A HN . 27016 1 199 . 1 1 56 56 ALA C C 13 177.429 . . 1 . . . . . 56 A C . 27016 1 200 . 1 1 56 56 ALA CA C 13 52.524 . . 1 . . . . . 56 A CA . 27016 1 201 . 1 1 56 56 ALA CB C 13 18.983 . . 1 . . . . . 56 A CB . 27016 1 202 . 1 1 56 56 ALA N N 15 123.379 . . 1 . . . . . 56 A N . 27016 1 203 . 1 1 57 57 LEU H H 1 7.932 . . 1 . . . . . 57 L HN . 27016 1 204 . 1 1 57 57 LEU C C 13 176.562 . . 1 . . . . . 57 L C . 27016 1 205 . 1 1 57 57 LEU CA C 13 54.372 . . 1 . . . . . 57 L CA . 27016 1 206 . 1 1 57 57 LEU CB C 13 41.974 . . 1 . . . . . 57 L CB . 27016 1 207 . 1 1 57 57 LEU N N 15 120.174 . . 1 . . . . . 57 L N . 27016 1 208 . 1 1 58 58 ALA H H 1 7.924 . . 1 . . . . . 58 A HN . 27016 1 209 . 1 1 58 58 ALA C C 13 174.978 . . 1 . . . . . 58 A C . 27016 1 210 . 1 1 58 58 ALA CA C 13 50.219 . . 1 . . . . . 58 A CA . 27016 1 211 . 1 1 58 58 ALA CB C 13 17.682 . . 1 . . . . . 58 A CB . 27016 1 212 . 1 1 58 58 ALA N N 15 125.892 . . 1 . . . . . 58 A N . 27016 1 213 . 1 1 59 59 PRO C C 13 176.310 . . 1 . . . . . 59 P C . 27016 1 214 . 1 1 59 59 PRO CA C 13 62.589 . . 1 . . . . . 59 P CA . 27016 1 215 . 1 1 59 59 PRO CB C 13 32.020 . . 1 . . . . . 59 P CB . 27016 1 216 . 1 1 60 60 ALA H H 1 8.215 . . 1 . . . . . 60 A HN . 27016 1 217 . 1 1 60 60 ALA C C 13 176.843 . . 1 . . . . . 60 A C . 27016 1 218 . 1 1 60 60 ALA CA C 13 51.725 . . 1 . . . . . 60 A CA . 27016 1 219 . 1 1 60 60 ALA CB C 13 19.065 . . 1 . . . . . 60 A CB . 27016 1 220 . 1 1 60 60 ALA N N 15 124.534 . . 1 . . . . . 60 A N . 27016 1 221 . 1 1 61 61 ALA H H 1 8.095 . . 1 . . . . . 61 A HN . 27016 1 222 . 1 1 61 61 ALA C C 13 175.215 . . 1 . . . . . 61 A C . 27016 1 223 . 1 1 61 61 ALA CA C 13 50.203 . . 1 . . . . . 61 A CA . 27016 1 224 . 1 1 61 61 ALA CB C 13 17.703 . . 1 . . . . . 61 A CB . 27016 1 225 . 1 1 61 61 ALA N N 15 124.686 . . 1 . . . . . 61 A N . 27016 1 226 . 1 1 62 62 PRO C C 13 176.618 . . 1 . . . . . 62 P C . 27016 1 227 . 1 1 62 62 PRO CA C 13 62.785 . . 1 . . . . . 62 P CA . 27016 1 228 . 1 1 62 62 PRO CB C 13 31.769 . . 1 . . . . . 62 P CB . 27016 1 229 . 1 1 63 63 LEU H H 1 8.194 . . 1 . . . . . 63 L HN . 27016 1 230 . 1 1 63 63 LEU C C 13 177.332 . . 1 . . . . . 63 L C . 27016 1 231 . 1 1 63 63 LEU CA C 13 54.811 . . 1 . . . . . 63 L CA . 27016 1 232 . 1 1 63 63 LEU CB C 13 42.094 . . 1 . . . . . 63 L CB . 27016 1 233 . 1 1 63 63 LEU N N 15 122.248 . . 1 . . . . . 63 L N . 27016 1 234 . 1 1 64 64 GLU H H 1 8.214 . . 1 . . . . . 64 E HN . 27016 1 235 . 1 1 64 64 GLU C C 13 175.835 . . 1 . . . . . 64 E C . 27016 1 236 . 1 1 64 64 GLU CA C 13 56.133 . . 1 . . . . . 64 E CA . 27016 1 237 . 1 1 64 64 GLU CB C 13 30.071 . . 1 . . . . . 64 E CB . 27016 1 238 . 1 1 64 64 GLU N N 15 121.772 . . 1 . . . . . 64 E N . 27016 1 239 . 1 1 65 65 ARG H H 1 8.107 . . 1 . . . . . 65 R HN . 27016 1 240 . 1 1 65 65 ARG C C 13 175.623 . . 1 . . . . . 65 R C . 27016 1 241 . 1 1 65 65 ARG CA C 13 55.517 . . 1 . . . . . 65 R CA . 27016 1 242 . 1 1 65 65 ARG CB C 13 30.915 . . 1 . . . . . 65 R CB . 27016 1 243 . 1 1 65 65 ARG N N 15 121.826 . . 1 . . . . . 65 R N . 27016 1 244 . 1 1 66 66 GLU H H 1 8.310 . . 1 . . . . . 66 E HN . 27016 1 245 . 1 1 66 66 GLU C C 13 174.080 . . 1 . . . . . 66 E C . 27016 1 246 . 1 1 66 66 GLU CA C 13 54.137 . . 1 . . . . . 66 E CA . 27016 1 247 . 1 1 66 66 GLU CB C 13 29.374 . . 1 . . . . . 66 E CB . 27016 1 248 . 1 1 66 66 GLU N N 15 123.802 . . 1 . . . . . 66 E N . 27016 1 249 . 1 1 67 67 PRO C C 13 176.436 . . 1 . . . . . 67 P C . 27016 1 250 . 1 1 67 67 PRO CA C 13 62.544 . . 1 . . . . . 67 P CA . 27016 1 251 . 1 1 67 67 PRO CB C 13 31.821 . . 1 . . . . . 67 P CB . 27016 1 252 . 1 1 68 68 LEU H H 1 8.243 . . 1 . . . . . 68 L HN . 27016 1 253 . 1 1 68 68 LEU C C 13 175.243 . . 1 . . . . . 68 L C . 27016 1 254 . 1 1 68 68 LEU CA C 13 52.804 . . 1 . . . . . 68 L CA . 27016 1 255 . 1 1 68 68 LEU CB C 13 41.249 . . 1 . . . . . 68 L CB . 27016 1 256 . 1 1 68 68 LEU N N 15 123.854 . . 1 . . . . . 68 L N . 27016 1 257 . 1 1 69 69 PRO C C 13 176.785 . . 1 . . . . . 69 P C . 27016 1 258 . 1 1 69 69 PRO CA C 13 63.132 . . 1 . . . . . 69 P CA . 27016 1 259 . 1 1 69 69 PRO CB C 13 31.764 . . 1 . . . . . 69 P CB . 27016 1 260 . 1 1 70 70 ALA H H 1 8.248 . . 1 . . . . . 70 A HN . 27016 1 261 . 1 1 70 70 ALA C C 13 178.286 . . 1 . . . . . 70 A C . 27016 1 262 . 1 1 70 70 ALA CA C 13 52.942 . . 1 . . . . . 70 A CA . 27016 1 263 . 1 1 70 70 ALA CB C 13 18.670 . . 1 . . . . . 70 A CB . 27016 1 264 . 1 1 70 70 ALA N N 15 123.288 . . 1 . . . . . 70 A N . 27016 1 265 . 1 1 71 71 GLU H H 1 8.202 . . 1 . . . . . 71 E HN . 27016 1 266 . 1 1 71 71 GLU C C 13 176.323 . . 1 . . . . . 71 E C . 27016 1 267 . 1 1 71 71 GLU CA C 13 56.523 . . 1 . . . . . 71 E CA . 27016 1 268 . 1 1 71 71 GLU CB C 13 30.013 . . 1 . . . . . 71 E CB . 27016 1 269 . 1 1 71 71 GLU N N 15 118.656 . . 1 . . . . . 71 E N . 27016 1 270 . 1 1 72 72 ALA H H 1 7.952 . . 1 . . . . . 72 A HN . 27016 1 271 . 1 1 72 72 ALA C C 13 177.685 . . 1 . . . . . 72 A C . 27016 1 272 . 1 1 72 72 ALA CA C 13 52.499 . . 1 . . . . . 72 A CA . 27016 1 273 . 1 1 72 72 ALA CB C 13 18.881 . . 1 . . . . . 72 A CB . 27016 1 274 . 1 1 72 72 ALA N N 15 124.281 . . 1 . . . . . 72 A N . 27016 1 275 . 1 1 73 73 MET H H 1 8.026 . . 1 . . . . . 73 M HN . 27016 1 276 . 1 1 73 73 MET C C 13 176.735 . . 1 . . . . . 73 M C . 27016 1 277 . 1 1 73 73 MET CA C 13 55.573 . . 1 . . . . . 73 M CA . 27016 1 278 . 1 1 73 73 MET CB C 13 32.369 . . 1 . . . . . 73 M CB . 27016 1 279 . 1 1 73 73 MET N N 15 118.805 . . 1 . . . . . 73 M N . 27016 1 280 . 1 1 74 74 GLY H H 1 8.124 . . 1 . . . . . 74 G HN . 27016 1 281 . 1 1 74 74 GLY C C 13 173.798 . . 1 . . . . . 74 G C . 27016 1 282 . 1 1 74 74 GLY CA C 13 45.237 . . 1 . . . . . 74 G CA . 27016 1 283 . 1 1 74 74 GLY N N 15 109.354 . . 1 . . . . . 74 G N . 27016 1 284 . 1 1 75 75 ALA H H 1 7.895 . . 1 . . . . . 75 A HN . 27016 1 285 . 1 1 75 75 ALA C C 13 177.396 . . 1 . . . . . 75 A C . 27016 1 286 . 1 1 75 75 ALA CA C 13 52.477 . . 1 . . . . . 75 A CA . 27016 1 287 . 1 1 75 75 ALA CB C 13 18.904 . . 1 . . . . . 75 A CB . 27016 1 288 . 1 1 75 75 ALA N N 15 123.469 . . 1 . . . . . 75 A N . 27016 1 289 . 1 1 76 76 TYR H H 1 7.870 . . 1 . . . . . 76 Y HN . 27016 1 290 . 1 1 76 76 TYR C C 13 175.265 . . 1 . . . . . 76 Y C . 27016 1 291 . 1 1 76 76 TYR CA C 13 58.220 . . 1 . . . . . 76 Y CA . 27016 1 292 . 1 1 76 76 TYR CB C 13 38.548 . . 1 . . . . . 76 Y CB . 27016 1 293 . 1 1 76 76 TYR N N 15 118.844 . . 1 . . . . . 76 Y N . 27016 1 294 . 1 1 77 77 PHE H H 1 7.697 . . 1 . . . . . 77 F HN . 27016 1 295 . 1 1 77 77 PHE C C 13 174.613 . . 1 . . . . . 77 F C . 27016 1 296 . 1 1 77 77 PHE CA C 13 57.621 . . 1 . . . . . 77 F CA . 27016 1 297 . 1 1 77 77 PHE CB C 13 39.607 . . 1 . . . . . 77 F CB . 27016 1 298 . 1 1 77 77 PHE N N 15 121.280 . . 1 . . . . . 77 F N . 27016 1 299 . 1 1 78 78 ALA H H 1 7.814 . . 1 . . . . . 78 A HN . 27016 1 300 . 1 1 78 78 ALA C C 13 177.046 . . 1 . . . . . 78 A C . 27016 1 301 . 1 1 78 78 ALA CA C 13 52.121 . . 1 . . . . . 78 A CA . 27016 1 302 . 1 1 78 78 ALA CB C 13 19.207 . . 1 . . . . . 78 A CB . 27016 1 303 . 1 1 78 78 ALA N N 15 124.831 . . 1 . . . . . 78 A N . 27016 1 304 . 1 1 79 79 ILE H H 1 7.794 . . 1 . . . . . 79 I HN . 27016 1 305 . 1 1 79 79 ILE C C 13 175.868 . . 1 . . . . . 79 I C . 27016 1 306 . 1 1 79 79 ILE CA C 13 61.143 . . 1 . . . . . 79 I CA . 27016 1 307 . 1 1 79 79 ILE CB C 13 38.561 . . 1 . . . . . 79 I CB . 27016 1 308 . 1 1 79 79 ILE N N 15 119.990 . . 1 . . . . . 79 I N . 27016 1 309 . 1 1 80 80 ARG H H 1 8.175 . . 1 . . . . . 80 R HN . 27016 1 310 . 1 1 80 80 ARG C C 13 175.818 . . 1 . . . . . 80 R C . 27016 1 311 . 1 1 80 80 ARG CA C 13 55.505 . . 1 . . . . . 80 R CA . 27016 1 312 . 1 1 80 80 ARG CB C 13 30.629 . . 1 . . . . . 80 R CB . 27016 1 313 . 1 1 80 80 ARG N N 15 125.855 . . 1 . . . . . 80 R N . 27016 1 314 . 1 1 81 81 ARG H H 1 8.347 . . 1 . . . . . 81 R HN . 27016 1 315 . 1 1 81 81 ARG C C 13 176.510 . . 1 . . . . . 81 R C . 27016 1 316 . 1 1 81 81 ARG CA C 13 55.951 . . 1 . . . . . 81 R CA . 27016 1 317 . 1 1 81 81 ARG CB C 13 30.921 . . 1 . . . . . 81 R CB . 27016 1 318 . 1 1 81 81 ARG N N 15 123.879 . . 1 . . . . . 81 R N . 27016 1 319 . 1 1 82 82 THR H H 1 8.204 . . 1 . . . . . 82 T HN . 27016 1 320 . 1 1 82 82 THR C C 13 174.201 . . 1 . . . . . 82 T C . 27016 1 321 . 1 1 82 82 THR CA C 13 61.549 . . 1 . . . . . 82 T CA . 27016 1 322 . 1 1 82 82 THR CB C 13 69.791 . . 1 . . . . . 82 T CB . 27016 1 323 . 1 1 82 82 THR N N 15 114.944 . . 1 . . . . . 82 T N . 27016 1 324 . 1 1 83 83 ASP H H 1 8.204 . . 1 . . . . . 83 D HN . 27016 1 325 . 1 1 83 83 ASP C C 13 175.862 . . 1 . . . . . 83 D C . 27016 1 326 . 1 1 83 83 ASP CA C 13 54.142 . . 1 . . . . . 83 D CA . 27016 1 327 . 1 1 83 83 ASP CB C 13 40.720 . . 1 . . . . . 83 D CB . 27016 1 328 . 1 1 83 83 ASP N N 15 122.053 . . 1 . . . . . 83 D N . 27016 1 329 . 1 1 84 84 ALA H H 1 7.945 . . 1 . . . . . 84 A HN . 27016 1 330 . 1 1 84 84 ALA C C 13 177.360 . . 1 . . . . . 84 A C . 27016 1 331 . 1 1 84 84 ALA CA C 13 52.552 . . 1 . . . . . 84 A CA . 27016 1 332 . 1 1 84 84 ALA CB C 13 18.986 . . 1 . . . . . 84 A CB . 27016 1 333 . 1 1 84 84 ALA N N 15 123.396 . . 1 . . . . . 84 A N . 27016 1 334 . 1 1 85 85 ASP H H 1 8.054 . . 1 . . . . . 85 D HN . 27016 1 335 . 1 1 85 85 ASP C C 13 175.933 . . 1 . . . . . 85 D C . 27016 1 336 . 1 1 85 85 ASP CA C 13 54.213 . . 1 . . . . . 85 D CA . 27016 1 337 . 1 1 85 85 ASP CB C 13 40.526 . . 1 . . . . . 85 D CB . 27016 1 338 . 1 1 85 85 ASP N N 15 119.191 . . 1 . . . . . 85 D N . 27016 1 339 . 1 1 86 86 ASP H H 1 8.057 . . 1 . . . . . 86 D HN . 27016 1 340 . 1 1 86 86 ASP C C 13 176.387 . . 1 . . . . . 86 D C . 27016 1 341 . 1 1 86 86 ASP CA C 13 54.134 . . 1 . . . . . 86 D CA . 27016 1 342 . 1 1 86 86 ASP CB C 13 40.683 . . 1 . . . . . 86 D CB . 27016 1 343 . 1 1 86 86 ASP N N 15 121.057 . . 1 . . . . . 86 D N . 27016 1 344 . 1 1 87 87 THR H H 1 7.961 . . 1 . . . . . 87 T HN . 27016 1 345 . 1 1 87 87 THR C C 13 174.542 . . 1 . . . . . 87 T C . 27016 1 346 . 1 1 87 87 THR CA C 13 62.669 . . 1 . . . . . 87 T CA . 27016 1 347 . 1 1 87 87 THR CB C 13 69.439 . . 1 . . . . . 87 T CB . 27016 1 348 . 1 1 87 87 THR N N 15 114.328 . . 1 . . . . . 87 T N . 27016 1 349 . 1 1 88 88 VAL H H 1 7.876 . . 1 . . . . . 88 V HN . 27016 1 350 . 1 1 88 88 VAL C C 13 175.549 . . 1 . . . . . 88 V C . 27016 1 351 . 1 1 88 88 VAL CA C 13 62.156 . . 1 . . . . . 88 V CA . 27016 1 352 . 1 1 88 88 VAL CB C 13 32.390 . . 1 . . . . . 88 V CB . 27016 1 353 . 1 1 88 88 VAL N N 15 122.864 . . 1 . . . . . 88 V N . 27016 1 354 . 1 1 89 89 ALA H H 1 8.163 . . 1 . . . . . 89 A HN . 27016 1 355 . 1 1 89 89 ALA C C 13 176.925 . . 1 . . . . . 89 A C . 27016 1 356 . 1 1 89 89 ALA CA C 13 51.996 . . 1 . . . . . 89 A CA . 27016 1 357 . 1 1 89 89 ALA CB C 13 18.945 . . 1 . . . . . 89 A CB . 27016 1 358 . 1 1 89 89 ALA N N 15 128.062 . . 1 . . . . . 89 A N . 27016 1 359 . 1 1 90 90 ALA H H 1 8.096 . . 1 . . . . . 90 A HN . 27016 1 360 . 1 1 90 90 ALA C C 13 176.553 . . 1 . . . . . 90 A C . 27016 1 361 . 1 1 90 90 ALA CA C 13 52.205 . . 1 . . . . . 90 A CA . 27016 1 362 . 1 1 90 90 ALA CB C 13 19.031 . . 1 . . . . . 90 A CB . 27016 1 363 . 1 1 90 90 ALA N N 15 124.142 . . 1 . . . . . 90 A N . 27016 1 364 . 1 1 91 91 HIS H H 1 7.802 . . 1 . . . . . 91 H HN . 27016 1 365 . 1 1 91 91 HIS C C 13 178.765 . . 1 . . . . . 91 H C . 27016 1 366 . 1 1 91 91 HIS CA C 13 56.609 . . 1 . . . . . 91 H CA . 27016 1 367 . 1 1 91 91 HIS CB C 13 29.846 . . 1 . . . . . 91 H CB . 27016 1 368 . 1 1 91 91 HIS N N 15 122.683 . . 1 . . . . . 91 H N . 27016 1 stop_ save_