data_26793 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26793 _Entry.Title ; Backbone assignment of p24 GOLD domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-05-10 _Entry.Accession_date 2016-05-10 _Entry.Last_release_date 2016-10-14 _Entry.Original_release_date 2016-10-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Yoshiki Yamaguchi . . . . 26793 2 Masamichi Nagae . . . . 26793 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 26793 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26793 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 85 26793 '15N chemical shifts' 48 26793 '1H chemical shifts' 48 26793 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-10-14 . original BMRB . 26793 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26792 'Backbone assignment of p23 GOLD domain' 26793 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26793 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27569046 _Citation.Full_citation . _Citation.Title ; 3D structure and interaction of p24beta and p24delta Golgi dynamics domains: implications for p24 complex formation and cargo transport ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 428 _Citation.Journal_issue 20 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 4087 _Citation.Page_last 4099 _Citation.Year 2016 _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 Masamichi Nagae . . . . 26793 1 2 Tetsuya Hirata . . . . 26793 1 3 Kana Morita-Matsumoto . . . . 26793 1 4 Romina Theiler . . . . 26793 1 5 Morihisa Fujita . . . . 26793 1 6 Taroh Kinoshita . . . . 26793 1 7 Yoshiki Yamaguchi . . . . 26793 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26793 _Assembly.ID 1 _Assembly.Name monomer _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 'GOLD domain' 1 $p24 A . yes native no no . . . 26793 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 'GOLD domain' 1 CYS 16 16 SG . 1 'GOLD domain' 1 CYS 77 77 SG . 'GOLD domain' 32 CYS SG . 'GOLD domain' 93 CYS SG 26793 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 5AZW . . . . . . 26793 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_p24 _Entity.Sf_category entity _Entity.Sf_framecode p24 _Entity.Entry_ID 26793 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name p24 _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 ; GSSGYFVSIDAHAEECFFER VTSGTKMGLIFEVAEGGFLD IDVEITGPDNKGIYKGDRES SGKYTFAAHMDGTYKFCFSN RMSTMTPKIVMFTIDIGEAP K ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _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 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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_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 17 GLY . 26793 1 2 18 SER . 26793 1 3 19 SER . 26793 1 4 20 GLY . 26793 1 5 21 TYR . 26793 1 6 22 PHE . 26793 1 7 23 VAL . 26793 1 8 24 SER . 26793 1 9 25 ILE . 26793 1 10 26 ASP . 26793 1 11 27 ALA . 26793 1 12 28 HIS . 26793 1 13 29 ALA . 26793 1 14 30 GLU . 26793 1 15 31 GLU . 26793 1 16 32 CYS . 26793 1 17 33 PHE . 26793 1 18 34 PHE . 26793 1 19 35 GLU . 26793 1 20 36 ARG . 26793 1 21 37 VAL . 26793 1 22 38 THR . 26793 1 23 39 SER . 26793 1 24 40 GLY . 26793 1 25 41 THR . 26793 1 26 42 LYS . 26793 1 27 43 MET . 26793 1 28 44 GLY . 26793 1 29 45 LEU . 26793 1 30 46 ILE . 26793 1 31 47 PHE . 26793 1 32 48 GLU . 26793 1 33 49 VAL . 26793 1 34 50 ALA . 26793 1 35 51 GLU . 26793 1 36 52 GLY . 26793 1 37 53 GLY . 26793 1 38 54 PHE . 26793 1 39 55 LEU . 26793 1 40 56 ASP . 26793 1 41 57 ILE . 26793 1 42 58 ASP . 26793 1 43 59 VAL . 26793 1 44 60 GLU . 26793 1 45 61 ILE . 26793 1 46 62 THR . 26793 1 47 63 GLY . 26793 1 48 64 PRO . 26793 1 49 65 ASP . 26793 1 50 66 ASN . 26793 1 51 67 LYS . 26793 1 52 68 GLY . 26793 1 53 69 ILE . 26793 1 54 70 TYR . 26793 1 55 71 LYS . 26793 1 56 72 GLY . 26793 1 57 73 ASP . 26793 1 58 74 ARG . 26793 1 59 75 GLU . 26793 1 60 76 SER . 26793 1 61 77 SER . 26793 1 62 78 GLY . 26793 1 63 79 LYS . 26793 1 64 80 TYR . 26793 1 65 81 THR . 26793 1 66 82 PHE . 26793 1 67 83 ALA . 26793 1 68 84 ALA . 26793 1 69 85 HIS . 26793 1 70 86 MET . 26793 1 71 87 ASP . 26793 1 72 88 GLY . 26793 1 73 89 THR . 26793 1 74 90 TYR . 26793 1 75 91 LYS . 26793 1 76 92 PHE . 26793 1 77 93 CYS . 26793 1 78 94 PHE . 26793 1 79 95 SER . 26793 1 80 96 ASN . 26793 1 81 97 ARG . 26793 1 82 98 MET . 26793 1 83 99 SER . 26793 1 84 100 THR . 26793 1 85 101 MET . 26793 1 86 102 THR . 26793 1 87 103 PRO . 26793 1 88 104 LYS . 26793 1 89 105 ILE . 26793 1 90 106 VAL . 26793 1 91 107 MET . 26793 1 92 108 PHE . 26793 1 93 109 THR . 26793 1 94 110 ILE . 26793 1 95 111 ASP . 26793 1 96 112 ILE . 26793 1 97 113 GLY . 26793 1 98 114 GLU . 26793 1 99 115 ALA . 26793 1 100 116 PRO . 26793 1 101 117 LYS . 26793 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 26793 1 . SER 2 2 26793 1 . SER 3 3 26793 1 . GLY 4 4 26793 1 . TYR 5 5 26793 1 . PHE 6 6 26793 1 . VAL 7 7 26793 1 . SER 8 8 26793 1 . ILE 9 9 26793 1 . ASP 10 10 26793 1 . ALA 11 11 26793 1 . HIS 12 12 26793 1 . ALA 13 13 26793 1 . GLU 14 14 26793 1 . GLU 15 15 26793 1 . CYS 16 16 26793 1 . PHE 17 17 26793 1 . PHE 18 18 26793 1 . GLU 19 19 26793 1 . ARG 20 20 26793 1 . VAL 21 21 26793 1 . THR 22 22 26793 1 . SER 23 23 26793 1 . GLY 24 24 26793 1 . THR 25 25 26793 1 . LYS 26 26 26793 1 . MET 27 27 26793 1 . GLY 28 28 26793 1 . LEU 29 29 26793 1 . ILE 30 30 26793 1 . PHE 31 31 26793 1 . GLU 32 32 26793 1 . VAL 33 33 26793 1 . ALA 34 34 26793 1 . GLU 35 35 26793 1 . GLY 36 36 26793 1 . GLY 37 37 26793 1 . PHE 38 38 26793 1 . LEU 39 39 26793 1 . ASP 40 40 26793 1 . ILE 41 41 26793 1 . ASP 42 42 26793 1 . VAL 43 43 26793 1 . GLU 44 44 26793 1 . ILE 45 45 26793 1 . THR 46 46 26793 1 . GLY 47 47 26793 1 . PRO 48 48 26793 1 . ASP 49 49 26793 1 . ASN 50 50 26793 1 . LYS 51 51 26793 1 . GLY 52 52 26793 1 . ILE 53 53 26793 1 . TYR 54 54 26793 1 . LYS 55 55 26793 1 . GLY 56 56 26793 1 . ASP 57 57 26793 1 . ARG 58 58 26793 1 . GLU 59 59 26793 1 . SER 60 60 26793 1 . SER 61 61 26793 1 . GLY 62 62 26793 1 . LYS 63 63 26793 1 . TYR 64 64 26793 1 . THR 65 65 26793 1 . PHE 66 66 26793 1 . ALA 67 67 26793 1 . ALA 68 68 26793 1 . HIS 69 69 26793 1 . MET 70 70 26793 1 . ASP 71 71 26793 1 . GLY 72 72 26793 1 . THR 73 73 26793 1 . TYR 74 74 26793 1 . LYS 75 75 26793 1 . PHE 76 76 26793 1 . CYS 77 77 26793 1 . PHE 78 78 26793 1 . SER 79 79 26793 1 . ASN 80 80 26793 1 . ARG 81 81 26793 1 . MET 82 82 26793 1 . SER 83 83 26793 1 . THR 84 84 26793 1 . MET 85 85 26793 1 . THR 86 86 26793 1 . PRO 87 87 26793 1 . LYS 88 88 26793 1 . ILE 89 89 26793 1 . VAL 90 90 26793 1 . MET 91 91 26793 1 . PHE 92 92 26793 1 . THR 93 93 26793 1 . ILE 94 94 26793 1 . ASP 95 95 26793 1 . ILE 96 96 26793 1 . GLY 97 97 26793 1 . GLU 98 98 26793 1 . ALA 99 99 26793 1 . PRO 100 100 26793 1 . LYS 101 101 26793 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 26793 _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 $p24 . 10116 organism . 'Rattus norvegicus' 'Norway rat' . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . 26793 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 26793 _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 $p24 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pCold . . . 26793 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26793 _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 p24 '[U-99% 13C; U-99% 15N]' . . 1 $p24 . . 0.5 . . mM . . . . 26793 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26793 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26793 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 26793 1 5 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 26793 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 26793 _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' 150 . mM 26793 1 pH 6.5 . pH 26793 1 pressure 1 . atm 26793 1 temperature 298 . K 26793 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26793 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26793 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26793 1 'peak picking' 26793 1 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 26793 _NMR_spectrometer.ID 1 _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 26793 _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 . 600 . . . 26793 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 26793 _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 . . . . . . . . . . . . . . . . 26793 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26793 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26793 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26793 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26793 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 26793 _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 . . . . . 26793 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26793 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26793 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 26793 _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' . . . 26793 1 2 '3D HNCA' . . . 26793 1 3 '3D HN(CO)CA' . . . 26793 1 4 '3D HNCACB' . . . 26793 1 5 '3D CBCA(CO)NH' . . . 26793 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 26793 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 13 13 ALA H H 1 7.63 0.02 . 1 . . . . 29 ALA H . 26793 1 2 . 1 1 13 13 ALA CA C 13 46.4 0.2 . 1 . . . . 29 ALA CA . 26793 1 3 . 1 1 13 13 ALA CB C 13 18.0 0.2 . 1 . . . . 29 ALA CB . 26793 1 4 . 1 1 13 13 ALA N N 15 121.7 0.2 . 1 . . . . 29 ALA N . 26793 1 5 . 1 1 14 14 GLU H H 1 7.93 0.02 . 1 . . . . 30 GLU H . 26793 1 6 . 1 1 14 14 GLU CA C 13 49.8 0.2 . 1 . . . . 30 GLU CA . 26793 1 7 . 1 1 14 14 GLU CB C 13 29.3 0.2 . 1 . . . . 30 GLU CB . 26793 1 8 . 1 1 14 14 GLU N N 15 117.9 0.2 . 1 . . . . 30 GLU N . 26793 1 9 . 1 1 15 15 GLU H H 1 8.67 0.02 . 1 . . . . 31 GLU H . 26793 1 10 . 1 1 15 15 GLU CA C 13 50.0 0.2 . 1 . . . . 31 GLU CA . 26793 1 11 . 1 1 15 15 GLU CB C 13 29.2 0.2 . 1 . . . . 31 GLU CB . 26793 1 12 . 1 1 15 15 GLU N N 15 123.6 0.2 . 1 . . . . 31 GLU N . 26793 1 13 . 1 1 20 20 ARG H H 1 8.95 0.02 . 1 . . . . 36 ARG H . 26793 1 14 . 1 1 20 20 ARG CA C 13 50.6 0.2 . 1 . . . . 36 ARG CA . 26793 1 15 . 1 1 20 20 ARG CB C 13 26.7 0.2 . 1 . . . . 36 ARG CB . 26793 1 16 . 1 1 20 20 ARG N N 15 127.5 0.2 . 1 . . . . 36 ARG N . 26793 1 17 . 1 1 21 21 VAL H H 1 8.53 0.02 . 1 . . . . 37 VAL H . 26793 1 18 . 1 1 21 21 VAL CA C 13 54.3 0.2 . 1 . . . . 37 VAL CA . 26793 1 19 . 1 1 21 21 VAL CB C 13 32.7 0.2 . 1 . . . . 37 VAL CB . 26793 1 20 . 1 1 21 21 VAL N N 15 118.1 0.2 . 1 . . . . 37 VAL N . 26793 1 21 . 1 1 22 22 THR H H 1 7.68 0.02 . 1 . . . . 38 THR H . 26793 1 22 . 1 1 22 22 THR CA C 13 54.9 0.2 . 1 . . . . 38 THR CA . 26793 1 23 . 1 1 22 22 THR CB C 13 66.7 0.2 . 1 . . . . 38 THR CB . 26793 1 24 . 1 1 22 22 THR N N 15 110.1 0.2 . 1 . . . . 38 THR N . 26793 1 25 . 1 1 23 23 SER H H 1 9.42 0.02 . 1 . . . . 39 SER H . 26793 1 26 . 1 1 23 23 SER CA C 13 55.5 0.2 . 1 . . . . 39 SER CA . 26793 1 27 . 1 1 23 23 SER CB C 13 58.8 0.2 . 1 . . . . 39 SER CB . 26793 1 28 . 1 1 23 23 SER N N 15 117.8 0.2 . 1 . . . . 39 SER N . 26793 1 29 . 1 1 24 24 GLY H H 1 8.79 0.02 . 1 . . . . 40 GLY H . 26793 1 30 . 1 1 24 24 GLY CA C 13 39.9 0.2 . 1 . . . . 40 GLY CA . 26793 1 31 . 1 1 24 24 GLY N N 15 115.1 0.2 . 1 . . . . 40 GLY N . 26793 1 32 . 1 1 25 25 THR H H 1 7.53 0.02 . 1 . . . . 41 THR H . 26793 1 33 . 1 1 25 25 THR CA C 13 59.9 0.2 . 1 . . . . 41 THR CA . 26793 1 34 . 1 1 25 25 THR CB C 13 65.3 0.2 . 1 . . . . 41 THR CB . 26793 1 35 . 1 1 25 25 THR N N 15 118.1 0.2 . 1 . . . . 41 THR N . 26793 1 36 . 1 1 26 26 LYS H H 1 8.67 0.02 . 1 . . . . 42 LYS H . 26793 1 37 . 1 1 26 26 LYS CA C 13 51.7 0.2 . 1 . . . . 42 LYS CA . 26793 1 38 . 1 1 26 26 LYS CB C 13 28.2 0.2 . 1 . . . . 42 LYS CB . 26793 1 39 . 1 1 26 26 LYS N N 15 129.0 0.2 . 1 . . . . 42 LYS N . 26793 1 40 . 1 1 27 27 MET H H 1 8.46 0.02 . 1 . . . . 43 MET H . 26793 1 41 . 1 1 27 27 MET CA C 13 49.1 0.2 . 1 . . . . 43 MET CA . 26793 1 42 . 1 1 27 27 MET CB C 13 32.8 0.2 . 1 . . . . 43 MET CB . 26793 1 43 . 1 1 27 27 MET N N 15 122.6 0.2 . 1 . . . . 43 MET N . 26793 1 44 . 1 1 28 28 GLY H H 1 8.61 0.02 . 1 . . . . 44 GLY H . 26793 1 45 . 1 1 28 28 GLY CA C 13 40.4 0.2 . 1 . . . . 44 GLY CA . 26793 1 46 . 1 1 28 28 GLY N N 15 108.0 0.2 . 1 . . . . 44 GLY N . 26793 1 47 . 1 1 30 30 ILE H H 1 8.58 0.02 . 1 . . . . 46 ILE H . 26793 1 48 . 1 1 30 30 ILE CA C 13 56.3 0.2 . 1 . . . . 46 ILE CA . 26793 1 49 . 1 1 30 30 ILE N N 15 127.5 0.2 . 1 . . . . 46 ILE N . 26793 1 50 . 1 1 31 31 PHE H H 1 8.50 0.02 . 1 . . . . 47 PHE H . 26793 1 51 . 1 1 31 31 PHE CA C 13 51.1 0.2 . 1 . . . . 47 PHE CA . 26793 1 52 . 1 1 31 31 PHE CB C 13 40.0 0.2 . 1 . . . . 47 PHE CB . 26793 1 53 . 1 1 31 31 PHE N N 15 120.4 0.2 . 1 . . . . 47 PHE N . 26793 1 54 . 1 1 32 32 GLU H H 1 8.90 0.02 . 1 . . . . 48 GLU H . 26793 1 55 . 1 1 32 32 GLU CA C 13 51.1 0.2 . 1 . . . . 48 GLU CA . 26793 1 56 . 1 1 32 32 GLU CB C 13 29.0 0.2 . 1 . . . . 48 GLU CB . 26793 1 57 . 1 1 32 32 GLU N N 15 118.9 0.2 . 1 . . . . 48 GLU N . 26793 1 58 . 1 1 33 33 VAL H H 1 8.52 0.02 . 1 . . . . 49 VAL H . 26793 1 59 . 1 1 33 33 VAL CA C 13 58.1 0.2 . 1 . . . . 49 VAL CA . 26793 1 60 . 1 1 33 33 VAL N N 15 125.1 0.2 . 1 . . . . 49 VAL N . 26793 1 61 . 1 1 43 43 VAL H H 1 8.62 0.02 . 1 . . . . 59 VAL H . 26793 1 62 . 1 1 43 43 VAL CA C 13 55.1 0.2 . 1 . . . . 59 VAL CA . 26793 1 63 . 1 1 43 43 VAL CB C 13 30.5 0.2 . 1 . . . . 59 VAL CB . 26793 1 64 . 1 1 43 43 VAL N N 15 122.1 0.2 . 1 . . . . 59 VAL N . 26793 1 65 . 1 1 44 44 GLU H H 1 8.29 0.02 . 1 . . . . 60 GLU H . 26793 1 66 . 1 1 44 44 GLU CA C 13 50.6 0.2 . 1 . . . . 60 GLU CA . 26793 1 67 . 1 1 44 44 GLU CB C 13 29.6 0.2 . 1 . . . . 60 GLU CB . 26793 1 68 . 1 1 44 44 GLU N N 15 126.3 0.2 . 1 . . . . 60 GLU N . 26793 1 69 . 1 1 45 45 ILE H H 1 8.70 0.02 . 1 . . . . 61 ILE H . 26793 1 70 . 1 1 45 45 ILE CA C 13 54.9 0.2 . 1 . . . . 61 ILE CA . 26793 1 71 . 1 1 45 45 ILE CB C 13 35.8 0.2 . 1 . . . . 61 ILE CB . 26793 1 72 . 1 1 45 45 ILE N N 15 126.8 0.2 . 1 . . . . 61 ILE N . 26793 1 73 . 1 1 46 46 THR H H 1 8.90 0.02 . 1 . . . . 62 THR H . 26793 1 74 . 1 1 46 46 THR CA C 13 56.2 0.2 . 1 . . . . 62 THR CA . 26793 1 75 . 1 1 46 46 THR CB C 13 67.1 0.2 . 1 . . . . 62 THR CB . 26793 1 76 . 1 1 46 46 THR N N 15 122.5 0.2 . 1 . . . . 62 THR N . 26793 1 77 . 1 1 47 47 GLY H H 1 8.10 0.02 . 1 . . . . 63 GLY H . 26793 1 78 . 1 1 47 47 GLY CA C 13 40.3 0.2 . 1 . . . . 63 GLY CA . 26793 1 79 . 1 1 47 47 GLY N N 15 108.6 0.2 . 1 . . . . 63 GLY N . 26793 1 80 . 1 1 49 49 ASP H H 1 8.11 0.02 . 1 . . . . 65 ASP H . 26793 1 81 . 1 1 49 49 ASP CA C 13 47.6 0.2 . 1 . . . . 65 ASP CA . 26793 1 82 . 1 1 49 49 ASP CB C 13 35.3 0.2 . 1 . . . . 65 ASP CB . 26793 1 83 . 1 1 49 49 ASP N N 15 115.3 0.2 . 1 . . . . 65 ASP N . 26793 1 84 . 1 1 50 50 ASN H H 1 8.13 0.02 . 1 . . . . 66 ASN H . 26793 1 85 . 1 1 50 50 ASN CA C 13 49.8 0.2 . 1 . . . . 66 ASN CA . 26793 1 86 . 1 1 50 50 ASN CB C 13 33.1 0.2 . 1 . . . . 66 ASN CB . 26793 1 87 . 1 1 50 50 ASN N N 15 112.9 0.2 . 1 . . . . 66 ASN N . 26793 1 88 . 1 1 51 51 LYS H H 1 7.26 0.02 . 1 . . . . 67 LYS H . 26793 1 89 . 1 1 51 51 LYS CA C 13 50.9 0.2 . 1 . . . . 67 LYS CA . 26793 1 90 . 1 1 51 51 LYS CB C 13 29.0 0.2 . 1 . . . . 67 LYS CB . 26793 1 91 . 1 1 51 51 LYS N N 15 118.0 0.2 . 1 . . . . 67 LYS N . 26793 1 92 . 1 1 52 52 GLY H H 1 8.81 0.02 . 1 . . . . 68 GLY H . 26793 1 93 . 1 1 52 52 GLY CA C 13 42.2 0.2 . 1 . . . . 68 GLY CA . 26793 1 94 . 1 1 52 52 GLY N N 15 114.2 0.2 . 1 . . . . 68 GLY N . 26793 1 95 . 1 1 53 53 ILE H H 1 8.42 0.02 . 1 . . . . 69 ILE H . 26793 1 96 . 1 1 53 53 ILE CA C 13 57.4 0.2 . 1 . . . . 69 ILE CA . 26793 1 97 . 1 1 53 53 ILE CB C 13 34.9 0.2 . 1 . . . . 69 ILE CB . 26793 1 98 . 1 1 53 53 ILE N N 15 126.4 0.2 . 1 . . . . 69 ILE N . 26793 1 99 . 1 1 54 54 TYR H H 1 7.09 0.02 . 1 . . . . 70 TYR H . 26793 1 100 . 1 1 54 54 TYR CA C 13 52.5 0.2 . 1 . . . . 70 TYR CA . 26793 1 101 . 1 1 54 54 TYR CB C 13 38.1 0.2 . 1 . . . . 70 TYR CB . 26793 1 102 . 1 1 54 54 TYR N N 15 117.2 0.2 . 1 . . . . 70 TYR N . 26793 1 103 . 1 1 55 55 LYS H H 1 7.48 0.02 . 1 . . . . 71 LYS H . 26793 1 104 . 1 1 55 55 LYS CA C 13 50.5 0.2 . 1 . . . . 71 LYS CA . 26793 1 105 . 1 1 55 55 LYS CB C 13 30.5 0.2 . 1 . . . . 71 LYS CB . 26793 1 106 . 1 1 55 55 LYS N N 15 130.0 0.2 . 1 . . . . 71 LYS N . 26793 1 107 . 1 1 61 61 SER H H 1 7.65 0.02 . 1 . . . . 77 SER H . 26793 1 108 . 1 1 61 61 SER CA C 13 52.4 0.2 . 1 . . . . 77 SER CA . 26793 1 109 . 1 1 61 61 SER N N 15 113.5 0.2 . 1 . . . . 77 SER N . 26793 1 110 . 1 1 62 62 GLY H H 1 7.14 0.02 . 1 . . . . 78 GLY H . 26793 1 111 . 1 1 62 62 GLY CA C 13 41.0 0.2 . 1 . . . . 78 GLY CA . 26793 1 112 . 1 1 62 62 GLY N N 15 106.1 0.2 . 1 . . . . 78 GLY N . 26793 1 113 . 1 1 63 63 LYS H H 1 7.79 0.02 . 1 . . . . 79 LYS H . 26793 1 114 . 1 1 63 63 LYS CA C 13 50.3 0.2 . 1 . . . . 79 LYS CA . 26793 1 115 . 1 1 63 63 LYS CB C 13 30.6 0.2 . 1 . . . . 79 LYS CB . 26793 1 116 . 1 1 63 63 LYS N N 15 118.0 0.2 . 1 . . . . 79 LYS N . 26793 1 117 . 1 1 64 64 TYR H H 1 8.87 0.02 . 1 . . . . 80 TYR H . 26793 1 118 . 1 1 64 64 TYR CA C 13 54.0 0.2 . 1 . . . . 80 TYR CA . 26793 1 119 . 1 1 64 64 TYR CB C 13 37.5 0.2 . 1 . . . . 80 TYR CB . 26793 1 120 . 1 1 64 64 TYR N N 15 124.7 0.2 . 1 . . . . 80 TYR N . 26793 1 121 . 1 1 65 65 THR H H 1 7.50 0.02 . 1 . . . . 81 THR H . 26793 1 122 . 1 1 65 65 THR CA C 13 55.0 0.2 . 1 . . . . 81 THR CA . 26793 1 123 . 1 1 65 65 THR CB C 13 66.5 0.2 . 1 . . . . 81 THR CB . 26793 1 124 . 1 1 65 65 THR N N 15 120.6 0.2 . 1 . . . . 81 THR N . 26793 1 125 . 1 1 66 66 PHE H H 1 8.64 0.02 . 1 . . . . 82 PHE H . 26793 1 126 . 1 1 66 66 PHE CA C 13 51.1 0.2 . 1 . . . . 82 PHE CA . 26793 1 127 . 1 1 66 66 PHE CB C 13 36.0 0.2 . 1 . . . . 82 PHE CB . 26793 1 128 . 1 1 66 66 PHE N N 15 120.8 0.2 . 1 . . . . 82 PHE N . 26793 1 129 . 1 1 67 67 ALA H H 1 8.38 0.02 . 1 . . . . 83 ALA H . 26793 1 130 . 1 1 67 67 ALA CA C 13 44.6 0.2 . 1 . . . . 83 ALA CA . 26793 1 131 . 1 1 67 67 ALA CB C 13 16.1 0.2 . 1 . . . . 83 ALA CB . 26793 1 132 . 1 1 67 67 ALA N N 15 120.9 0.2 . 1 . . . . 83 ALA N . 26793 1 133 . 1 1 68 68 ALA H H 1 8.44 0.02 . 1 . . . . 84 ALA H . 26793 1 134 . 1 1 68 68 ALA CA C 13 48.5 0.2 . 1 . . . . 84 ALA CA . 26793 1 135 . 1 1 68 68 ALA CB C 13 15.2 0.2 . 1 . . . . 84 ALA CB . 26793 1 136 . 1 1 68 68 ALA N N 15 125.9 0.2 . 1 . . . . 84 ALA N . 26793 1 137 . 1 1 72 72 GLY H H 1 8.62 0.02 . 1 . . . . 88 GLY H . 26793 1 138 . 1 1 72 72 GLY CA C 13 39.8 0.2 . 1 . . . . 88 GLY CA . 26793 1 139 . 1 1 72 72 GLY N N 15 106.0 0.2 . 1 . . . . 88 GLY N . 26793 1 140 . 1 1 73 73 THR H H 1 8.44 0.02 . 1 . . . . 89 THR H . 26793 1 141 . 1 1 73 73 THR CA C 13 58.6 0.2 . 1 . . . . 89 THR CA . 26793 1 142 . 1 1 73 73 THR CB C 13 64.6 0.2 . 1 . . . . 89 THR CB . 26793 1 143 . 1 1 73 73 THR N N 15 117.2 0.2 . 1 . . . . 89 THR N . 26793 1 144 . 1 1 74 74 TYR H H 1 9.51 0.02 . 1 . . . . 90 TYR H . 26793 1 145 . 1 1 74 74 TYR CA C 13 52.9 0.2 . 1 . . . . 90 TYR CA . 26793 1 146 . 1 1 74 74 TYR CB C 13 36.4 0.2 . 1 . . . . 90 TYR CB . 26793 1 147 . 1 1 74 74 TYR N N 15 129.6 0.2 . 1 . . . . 90 TYR N . 26793 1 148 . 1 1 75 75 LYS H H 1 8.34 0.02 . 1 . . . . 91 LYS H . 26793 1 149 . 1 1 75 75 LYS CA C 13 50.3 0.2 . 1 . . . . 91 LYS CA . 26793 1 150 . 1 1 75 75 LYS CB C 13 31.2 0.2 . 1 . . . . 91 LYS CB . 26793 1 151 . 1 1 75 75 LYS N N 15 123.0 0.2 . 1 . . . . 91 LYS N . 26793 1 152 . 1 1 76 76 PHE H H 1 9.08 0.02 . 1 . . . . 92 PHE H . 26793 1 153 . 1 1 76 76 PHE CA C 13 49.9 0.2 . 1 . . . . 92 PHE CA . 26793 1 154 . 1 1 76 76 PHE CB C 13 36.4 0.2 . 1 . . . . 92 PHE CB . 26793 1 155 . 1 1 76 76 PHE N N 15 125.0 0.2 . 1 . . . . 92 PHE N . 26793 1 156 . 1 1 77 77 CYS H H 1 8.65 0.02 . 1 . . . . 93 CYS H . 26793 1 157 . 1 1 77 77 CYS CA C 13 50.6 0.2 . 1 . . . . 93 CYS CA . 26793 1 158 . 1 1 77 77 CYS CB C 13 43.5 0.2 . 1 . . . . 93 CYS CB . 26793 1 159 . 1 1 77 77 CYS N N 15 118.5 0.2 . 1 . . . . 93 CYS N . 26793 1 160 . 1 1 78 78 PHE H H 1 8.75 0.02 . 1 . . . . 94 PHE H . 26793 1 161 . 1 1 78 78 PHE CA C 13 51.0 0.2 . 1 . . . . 94 PHE CA . 26793 1 162 . 1 1 78 78 PHE CB C 13 37.6 0.2 . 1 . . . . 94 PHE CB . 26793 1 163 . 1 1 78 78 PHE N N 15 121.4 0.2 . 1 . . . . 94 PHE N . 26793 1 164 . 1 1 79 79 SER H H 1 9.18 0.02 . 1 . . . . 95 SER H . 26793 1 165 . 1 1 79 79 SER CA C 13 52.3 0.2 . 1 . . . . 95 SER CA . 26793 1 166 . 1 1 79 79 SER N N 15 116.0 0.2 . 1 . . . . 95 SER N . 26793 1 167 . 1 1 95 95 ASP H H 1 9.02 0.02 . 1 . . . . 111 ASP H . 26793 1 168 . 1 1 95 95 ASP CA C 13 48.6 0.2 . 1 . . . . 111 ASP CA . 26793 1 169 . 1 1 95 95 ASP CB C 13 38.4 0.2 . 1 . . . . 111 ASP CB . 26793 1 170 . 1 1 95 95 ASP N N 15 129.1 0.2 . 1 . . . . 111 ASP N . 26793 1 171 . 1 1 96 96 ILE H H 1 8.33 0.02 . 1 . . . . 112 ILE H . 26793 1 172 . 1 1 96 96 ILE CA C 13 54.9 0.2 . 1 . . . . 112 ILE CA . 26793 1 173 . 1 1 96 96 ILE CB C 13 34.1 0.2 . 1 . . . . 112 ILE CB . 26793 1 174 . 1 1 96 96 ILE N N 15 124.0 0.2 . 1 . . . . 112 ILE N . 26793 1 175 . 1 1 97 97 GLY H H 1 8.71 0.02 . 1 . . . . 113 GLY H . 26793 1 176 . 1 1 97 97 GLY CA C 13 40.3 0.2 . 1 . . . . 113 GLY CA . 26793 1 177 . 1 1 97 97 GLY N N 15 115.3 0.2 . 1 . . . . 113 GLY N . 26793 1 178 . 1 1 98 98 GLU H H 1 7.80 0.02 . 1 . . . . 114 GLU H . 26793 1 179 . 1 1 98 98 GLU CA C 13 52.9 0.2 . 1 . . . . 114 GLU CA . 26793 1 180 . 1 1 98 98 GLU CB C 13 26.9 0.2 . 1 . . . . 114 GLU CB . 26793 1 181 . 1 1 98 98 GLU N N 15 124.7 0.2 . 1 . . . . 114 GLU N . 26793 1 stop_ save_