data_26792 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26792 _Entry.Title ; Backbone assignment of p23 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 . . . . 26792 2 Masamichi Nagae . . . . 26792 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26792 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 162 26792 '15N chemical shifts' 81 26792 '1H chemical shifts' 81 26792 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 . 26792 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26793 'Backbone assignment of p24 GOLD domain' 26792 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26792 _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 . . . . 26792 1 2 Tetsuya Hirata . . . . 26792 1 3 Kana Morita-Matsumoto . . . . 26792 1 4 Romina Theiler . . . . 26792 1 5 Morihisa Fujita . . . . 26792 1 6 Taroh Kinoshita . . . . 26792 1 7 Yoshiki Yamaguchi . . . . 26792 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26792 _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 $p23 A . yes native no no . . . 26792 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 14 14 SG . 1 'GOLD domain' 1 CYS 79 79 SG . 'GOLD domain' 43 CYS SG . 'GOLD domain' 108 CYS SG 26792 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 5AZX . . . . . . 26792 1 yes PDB 5AZY . . . . . . 26792 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_p23 _Entity.Sf_category entity _Entity.Sf_framecode p23 _Entity.Entry_ID 26792 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name p23 _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 ; GSISFHLPVNSRKCLREEIH KDLLVTGAYEITDQSGGAGG LRTHLKITDSAGHILYAKED ATKGKFAFTTEDYDMFEVCF ESKGTGRIPDQLVILDMKHG VEA ; _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 103 _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 30 GLY . 26792 1 2 31 SER . 26792 1 3 32 ILE . 26792 1 4 33 SER . 26792 1 5 34 PHE . 26792 1 6 35 HIS . 26792 1 7 36 LEU . 26792 1 8 37 PRO . 26792 1 9 38 VAL . 26792 1 10 39 ASN . 26792 1 11 40 SER . 26792 1 12 41 ARG . 26792 1 13 42 LYS . 26792 1 14 43 CYS . 26792 1 15 44 LEU . 26792 1 16 45 ARG . 26792 1 17 46 GLU . 26792 1 18 47 GLU . 26792 1 19 48 ILE . 26792 1 20 49 HIS . 26792 1 21 50 LYS . 26792 1 22 51 ASP . 26792 1 23 52 LEU . 26792 1 24 53 LEU . 26792 1 25 54 VAL . 26792 1 26 55 THR . 26792 1 27 56 GLY . 26792 1 28 57 ALA . 26792 1 29 58 TYR . 26792 1 30 59 GLU . 26792 1 31 60 ILE . 26792 1 32 61 THR . 26792 1 33 62 ASP . 26792 1 34 63 GLN . 26792 1 35 64 SER . 26792 1 36 65 GLY . 26792 1 37 66 GLY . 26792 1 38 67 ALA . 26792 1 39 68 GLY . 26792 1 40 69 GLY . 26792 1 41 70 LEU . 26792 1 42 71 ARG . 26792 1 43 72 THR . 26792 1 44 73 HIS . 26792 1 45 74 LEU . 26792 1 46 75 LYS . 26792 1 47 76 ILE . 26792 1 48 77 THR . 26792 1 49 78 ASP . 26792 1 50 79 SER . 26792 1 51 80 ALA . 26792 1 52 81 GLY . 26792 1 53 82 HIS . 26792 1 54 83 ILE . 26792 1 55 84 LEU . 26792 1 56 85 TYR . 26792 1 57 86 ALA . 26792 1 58 87 LYS . 26792 1 59 88 GLU . 26792 1 60 89 ASP . 26792 1 61 90 ALA . 26792 1 62 91 THR . 26792 1 63 92 LYS . 26792 1 64 93 GLY . 26792 1 65 94 LYS . 26792 1 66 95 PHE . 26792 1 67 96 ALA . 26792 1 68 97 PHE . 26792 1 69 98 THR . 26792 1 70 99 THR . 26792 1 71 100 GLU . 26792 1 72 101 ASP . 26792 1 73 102 TYR . 26792 1 74 103 ASP . 26792 1 75 104 MET . 26792 1 76 105 PHE . 26792 1 77 106 GLU . 26792 1 78 107 VAL . 26792 1 79 108 CYS . 26792 1 80 109 PHE . 26792 1 81 110 GLU . 26792 1 82 111 SER . 26792 1 83 112 LYS . 26792 1 84 113 GLY . 26792 1 85 114 THR . 26792 1 86 115 GLY . 26792 1 87 116 ARG . 26792 1 88 117 ILE . 26792 1 89 118 PRO . 26792 1 90 119 ASP . 26792 1 91 120 GLN . 26792 1 92 121 LEU . 26792 1 93 122 VAL . 26792 1 94 123 ILE . 26792 1 95 124 LEU . 26792 1 96 125 ASP . 26792 1 97 126 MET . 26792 1 98 127 LYS . 26792 1 99 128 HIS . 26792 1 100 129 GLY . 26792 1 101 130 VAL . 26792 1 102 131 GLU . 26792 1 103 132 ALA . 26792 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 26792 1 . SER 2 2 26792 1 . ILE 3 3 26792 1 . SER 4 4 26792 1 . PHE 5 5 26792 1 . HIS 6 6 26792 1 . LEU 7 7 26792 1 . PRO 8 8 26792 1 . VAL 9 9 26792 1 . ASN 10 10 26792 1 . SER 11 11 26792 1 . ARG 12 12 26792 1 . LYS 13 13 26792 1 . CYS 14 14 26792 1 . LEU 15 15 26792 1 . ARG 16 16 26792 1 . GLU 17 17 26792 1 . GLU 18 18 26792 1 . ILE 19 19 26792 1 . HIS 20 20 26792 1 . LYS 21 21 26792 1 . ASP 22 22 26792 1 . LEU 23 23 26792 1 . LEU 24 24 26792 1 . VAL 25 25 26792 1 . THR 26 26 26792 1 . GLY 27 27 26792 1 . ALA 28 28 26792 1 . TYR 29 29 26792 1 . GLU 30 30 26792 1 . ILE 31 31 26792 1 . THR 32 32 26792 1 . ASP 33 33 26792 1 . GLN 34 34 26792 1 . SER 35 35 26792 1 . GLY 36 36 26792 1 . GLY 37 37 26792 1 . ALA 38 38 26792 1 . GLY 39 39 26792 1 . GLY 40 40 26792 1 . LEU 41 41 26792 1 . ARG 42 42 26792 1 . THR 43 43 26792 1 . HIS 44 44 26792 1 . LEU 45 45 26792 1 . LYS 46 46 26792 1 . ILE 47 47 26792 1 . THR 48 48 26792 1 . ASP 49 49 26792 1 . SER 50 50 26792 1 . ALA 51 51 26792 1 . GLY 52 52 26792 1 . HIS 53 53 26792 1 . ILE 54 54 26792 1 . LEU 55 55 26792 1 . TYR 56 56 26792 1 . ALA 57 57 26792 1 . LYS 58 58 26792 1 . GLU 59 59 26792 1 . ASP 60 60 26792 1 . ALA 61 61 26792 1 . THR 62 62 26792 1 . LYS 63 63 26792 1 . GLY 64 64 26792 1 . LYS 65 65 26792 1 . PHE 66 66 26792 1 . ALA 67 67 26792 1 . PHE 68 68 26792 1 . THR 69 69 26792 1 . THR 70 70 26792 1 . GLU 71 71 26792 1 . ASP 72 72 26792 1 . TYR 73 73 26792 1 . ASP 74 74 26792 1 . MET 75 75 26792 1 . PHE 76 76 26792 1 . GLU 77 77 26792 1 . VAL 78 78 26792 1 . CYS 79 79 26792 1 . PHE 80 80 26792 1 . GLU 81 81 26792 1 . SER 82 82 26792 1 . LYS 83 83 26792 1 . GLY 84 84 26792 1 . THR 85 85 26792 1 . GLY 86 86 26792 1 . ARG 87 87 26792 1 . ILE 88 88 26792 1 . PRO 89 89 26792 1 . ASP 90 90 26792 1 . GLN 91 91 26792 1 . LEU 92 92 26792 1 . VAL 93 93 26792 1 . ILE 94 94 26792 1 . LEU 95 95 26792 1 . ASP 96 96 26792 1 . MET 97 97 26792 1 . LYS 98 98 26792 1 . HIS 99 99 26792 1 . GLY 100 100 26792 1 . VAL 101 101 26792 1 . GLU 102 102 26792 1 . ALA 103 103 26792 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 26792 _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 $p23 . 10116 organism . 'Rattus norvegicus' 'Norway rat' . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . 26792 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 26792 _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 $p23 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pCold . . . 26792 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26792 _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 p23 '[U-99% 13C; U-99% 15N]' . . 1 $p23 . . 0.5 . . mM . . . . 26792 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26792 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26792 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 26792 1 5 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 26792 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 26792 _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 26792 1 pH 6.5 . pH 26792 1 pressure 1 . atm 26792 1 temperature 298 . K 26792 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26792 _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 . . 26792 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26792 1 'peak picking' 26792 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 26792 _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 26792 _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 . . . 26792 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 26792 _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 . . . . . . . . . . . . . . . . 26792 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26792 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26792 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26792 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26792 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 26792 _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 . . . . . 26792 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26792 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26792 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 26792 _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' . . . 26792 1 2 '3D HNCA' . . . 26792 1 3 '3D HN(CO)CA' . . . 26792 1 4 '3D HNCACB' . . . 26792 1 5 '3D CBCA(CO)NH' . . . 26792 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 2 2 SER H H 1 8.52 0.02 . 1 . . . . 31 SER H . 26792 1 2 . 1 1 2 2 SER CA C 13 53.0 0.2 . 1 . . . . 31 SER CA . 26792 1 3 . 1 1 2 2 SER CB C 13 60.3 0.2 . 1 . . . . 31 SER CB . 26792 1 4 . 1 1 2 2 SER N N 15 116.7 0.2 . 1 . . . . 31 SER N . 26792 1 5 . 1 1 3 3 ILE H H 1 8.96 0.02 . 1 . . . . 32 ILE H . 26792 1 6 . 1 1 3 3 ILE CA C 13 55.4 0.2 . 1 . . . . 32 ILE CA . 26792 1 7 . 1 1 3 3 ILE CB C 13 37.6 0.2 . 1 . . . . 32 ILE CB . 26792 1 8 . 1 1 3 3 ILE N N 15 124.0 0.2 . 1 . . . . 32 ILE N . 26792 1 9 . 1 1 4 4 SER H H 1 8.03 0.02 . 1 . . . . 33 SER H . 26792 1 10 . 1 1 4 4 SER CA C 13 50.9 0.2 . 1 . . . . 33 SER CA . 26792 1 11 . 1 1 4 4 SER CB C 13 61.8 0.2 . 1 . . . . 33 SER CB . 26792 1 12 . 1 1 4 4 SER N N 15 117.9 0.2 . 1 . . . . 33 SER N . 26792 1 13 . 1 1 5 5 PHE H H 1 8.37 0.02 . 1 . . . . 34 PHE H . 26792 1 14 . 1 1 5 5 PHE CA C 13 51.1 0.2 . 1 . . . . 34 PHE CA . 26792 1 15 . 1 1 5 5 PHE CB C 13 35.9 0.2 . 1 . . . . 34 PHE CB . 26792 1 16 . 1 1 5 5 PHE N N 15 122.6 0.2 . 1 . . . . 34 PHE N . 26792 1 17 . 1 1 6 6 HIS H H 1 8.78 0.02 . 1 . . . . 35 HIS H . 26792 1 18 . 1 1 6 6 HIS CA C 13 51.0 0.2 . 1 . . . . 35 HIS CA . 26792 1 19 . 1 1 6 6 HIS CB C 13 26.7 0.2 . 1 . . . . 35 HIS CB . 26792 1 20 . 1 1 6 6 HIS N N 15 117.8 0.2 . 1 . . . . 35 HIS N . 26792 1 21 . 1 1 7 7 LEU H H 1 9.19 0.02 . 1 . . . . 36 LEU H . 26792 1 22 . 1 1 7 7 LEU CB C 13 41.7 0.2 . 1 . . . . 36 LEU CB . 26792 1 23 . 1 1 7 7 LEU N N 15 124.7 0.2 . 1 . . . . 36 LEU N . 26792 1 24 . 1 1 8 8 PRO CA C 13 57.2 0.2 . 1 . . . . 37 PRO CA . 26792 1 25 . 1 1 8 8 PRO CB C 13 28.0 0.2 . 1 . . . . 37 PRO CB . 26792 1 26 . 1 1 9 9 VAL H H 1 8.49 0.02 . 1 . . . . 38 VAL H . 26792 1 27 . 1 1 9 9 VAL CA C 13 57.9 0.2 . 1 . . . . 38 VAL CA . 26792 1 28 . 1 1 9 9 VAL CB C 13 26.8 0.2 . 1 . . . . 38 VAL CB . 26792 1 29 . 1 1 9 9 VAL N N 15 123.2 0.2 . 1 . . . . 38 VAL N . 26792 1 30 . 1 1 10 10 ASN H H 1 6.92 0.02 . 1 . . . . 39 ASN H . 26792 1 31 . 1 1 10 10 ASN CA C 13 50.0 0.2 . 1 . . . . 39 ASN CA . 26792 1 32 . 1 1 10 10 ASN CB C 13 32.4 0.2 . 1 . . . . 39 ASN CB . 26792 1 33 . 1 1 10 10 ASN N N 15 119.2 0.2 . 1 . . . . 39 ASN N . 26792 1 34 . 1 1 11 11 SER H H 1 7.57 0.02 . 1 . . . . 40 SER H . 26792 1 35 . 1 1 11 11 SER CA C 13 52.7 0.2 . 1 . . . . 40 SER CA . 26792 1 36 . 1 1 11 11 SER CB C 13 62.0 0.2 . 1 . . . . 40 SER CB . 26792 1 37 . 1 1 11 11 SER N N 15 112.6 0.2 . 1 . . . . 40 SER N . 26792 1 38 . 1 1 12 12 ARG H H 1 8.07 0.02 . 1 . . . . 41 ARG H . 26792 1 39 . 1 1 12 12 ARG CA C 13 49.4 0.2 . 1 . . . . 41 ARG CA . 26792 1 40 . 1 1 12 12 ARG CB C 13 29.8 0.2 . 1 . . . . 41 ARG CB . 26792 1 41 . 1 1 12 12 ARG N N 15 119.5 0.2 . 1 . . . . 41 ARG N . 26792 1 42 . 1 1 13 13 LYS H H 1 8.94 0.02 . 1 . . . . 42 LYS H . 26792 1 43 . 1 1 13 13 LYS CA C 13 50.6 0.2 . 1 . . . . 42 LYS CA . 26792 1 44 . 1 1 13 13 LYS CB C 13 31.8 0.2 . 1 . . . . 42 LYS CB . 26792 1 45 . 1 1 13 13 LYS N N 15 126.8 0.2 . 1 . . . . 42 LYS N . 26792 1 46 . 1 1 14 14 CYS H H 1 8.57 0.02 . 1 . . . . 43 CYS H . 26792 1 47 . 1 1 14 14 CYS CA C 13 50.1 0.2 . 1 . . . . 43 CYS CA . 26792 1 48 . 1 1 14 14 CYS CB C 13 44.8 0.2 . 1 . . . . 43 CYS CB . 26792 1 49 . 1 1 14 14 CYS N N 15 122.1 0.2 . 1 . . . . 43 CYS N . 26792 1 50 . 1 1 15 15 LEU H H 1 9.06 0.02 . 1 . . . . 44 LEU H . 26792 1 51 . 1 1 15 15 LEU CA C 13 49.0 0.2 . 1 . . . . 44 LEU CA . 26792 1 52 . 1 1 15 15 LEU CB C 13 39.5 0.2 . 1 . . . . 44 LEU CB . 26792 1 53 . 1 1 15 15 LEU N N 15 124.7 0.2 . 1 . . . . 44 LEU N . 26792 1 54 . 1 1 16 16 ARG H H 1 8.39 0.02 . 1 . . . . 45 ARG H . 26792 1 55 . 1 1 16 16 ARG CA C 13 49.7 0.2 . 1 . . . . 45 ARG CA . 26792 1 56 . 1 1 16 16 ARG CB C 13 28.6 0.2 . 1 . . . . 45 ARG CB . 26792 1 57 . 1 1 16 16 ARG N N 15 122.8 0.2 . 1 . . . . 45 ARG N . 26792 1 58 . 1 1 17 17 GLU H H 1 8.97 0.02 . 1 . . . . 46 GLU H . 26792 1 59 . 1 1 17 17 GLU CA C 13 56.1 0.2 . 1 . . . . 46 GLU CA . 26792 1 60 . 1 1 17 17 GLU CB C 13 28.4 0.2 . 1 . . . . 46 GLU CB . 26792 1 61 . 1 1 17 17 GLU N N 15 126.2 0.2 . 1 . . . . 46 GLU N . 26792 1 62 . 1 1 25 25 VAL CA C 13 56.2 0.2 . 1 . . . . 54 VAL CA . 26792 1 63 . 1 1 25 25 VAL CB C 13 27.5 0.2 . 1 . . . . 54 VAL CB . 26792 1 64 . 1 1 26 26 THR H H 1 8.15 0.02 . 1 . . . . 55 THR H . 26792 1 65 . 1 1 26 26 THR CA C 13 54.1 0.2 . 1 . . . . 55 THR CA . 26792 1 66 . 1 1 26 26 THR CB C 13 67.3 0.2 . 1 . . . . 55 THR CB . 26792 1 67 . 1 1 26 26 THR N N 15 115.4 0.2 . 1 . . . . 55 THR N . 26792 1 68 . 1 1 27 27 GLY H H 1 7.77 0.02 . 1 . . . . 56 GLY H . 26792 1 69 . 1 1 27 27 GLY CA C 13 39.7 0.2 . 1 . . . . 56 GLY CA . 26792 1 70 . 1 1 27 27 GLY N N 15 109.2 0.2 . 1 . . . . 56 GLY N . 26792 1 71 . 1 1 28 28 ALA H H 1 8.43 0.02 . 1 . . . . 57 ALA H . 26792 1 72 . 1 1 28 28 ALA CA C 13 46.0 0.2 . 1 . . . . 57 ALA CA . 26792 1 73 . 1 1 28 28 ALA CB C 13 17.6 0.2 . 1 . . . . 57 ALA CB . 26792 1 74 . 1 1 28 28 ALA N N 15 126.3 0.2 . 1 . . . . 57 ALA N . 26792 1 75 . 1 1 29 29 TYR H H 1 8.29 0.02 . 1 . . . . 58 TYR H . 26792 1 76 . 1 1 29 29 TYR CA C 13 50.1 0.2 . 1 . . . . 58 TYR CA . 26792 1 77 . 1 1 29 29 TYR CB C 13 38.6 0.2 . 1 . . . . 58 TYR CB . 26792 1 78 . 1 1 29 29 TYR N N 15 117.2 0.2 . 1 . . . . 58 TYR N . 26792 1 79 . 1 1 30 30 GLU H H 1 8.62 0.02 . 1 . . . . 59 GLU H . 26792 1 80 . 1 1 30 30 GLU CA C 13 52.0 0.2 . 1 . . . . 59 GLU CA . 26792 1 81 . 1 1 30 30 GLU CB C 13 28.5 0.2 . 1 . . . . 59 GLU CB . 26792 1 82 . 1 1 30 30 GLU N N 15 120.3 0.2 . 1 . . . . 59 GLU N . 26792 1 83 . 1 1 31 31 ILE H H 1 8.70 0.02 . 1 . . . . 60 ILE H . 26792 1 84 . 1 1 31 31 ILE CA C 13 55.7 0.2 . 1 . . . . 60 ILE CA . 26792 1 85 . 1 1 31 31 ILE CB C 13 34.6 0.2 . 1 . . . . 60 ILE CB . 26792 1 86 . 1 1 31 31 ILE N N 15 127.0 0.2 . 1 . . . . 60 ILE N . 26792 1 87 . 1 1 32 32 THR H H 1 9.31 0.02 . 1 . . . . 61 THR H . 26792 1 88 . 1 1 32 32 THR CA C 13 57.1 0.2 . 1 . . . . 61 THR CA . 26792 1 89 . 1 1 32 32 THR CB C 13 66.1 0.2 . 1 . . . . 61 THR CB . 26792 1 90 . 1 1 32 32 THR N N 15 123.9 0.2 . 1 . . . . 61 THR N . 26792 1 91 . 1 1 33 33 ASP H H 1 8.61 0.02 . 1 . . . . 62 ASP H . 26792 1 92 . 1 1 33 33 ASP CA C 13 48.0 0.2 . 1 . . . . 62 ASP CA . 26792 1 93 . 1 1 33 33 ASP CB C 13 37.7 0.2 . 1 . . . . 62 ASP CB . 26792 1 94 . 1 1 33 33 ASP N N 15 124.9 0.2 . 1 . . . . 62 ASP N . 26792 1 95 . 1 1 34 34 GLN H H 1 8.79 0.02 . 1 . . . . 63 GLN H . 26792 1 96 . 1 1 34 34 GLN CA C 13 51.6 0.2 . 1 . . . . 63 GLN CA . 26792 1 97 . 1 1 34 34 GLN CB C 13 24.9 0.2 . 1 . . . . 63 GLN CB . 26792 1 98 . 1 1 34 34 GLN N N 15 124.2 0.2 . 1 . . . . 63 GLN N . 26792 1 99 . 1 1 35 35 SER H H 1 8.57 0.02 . 1 . . . . 64 SER H . 26792 1 100 . 1 1 35 35 SER CA C 13 54.8 0.2 . 1 . . . . 64 SER CA . 26792 1 101 . 1 1 35 35 SER CB C 13 60.8 0.2 . 1 . . . . 64 SER CB . 26792 1 102 . 1 1 35 35 SER N N 15 116.5 0.2 . 1 . . . . 64 SER N . 26792 1 103 . 1 1 36 36 GLY H H 1 8.01 0.02 . 1 . . . . 65 GLY H . 26792 1 104 . 1 1 36 36 GLY CA C 13 41.5 0.2 . 1 . . . . 65 GLY CA . 26792 1 105 . 1 1 36 36 GLY N N 15 111.5 0.2 . 1 . . . . 65 GLY N . 26792 1 106 . 1 1 37 37 GLY H H 1 8.43 0.02 . 1 . . . . 66 GLY H . 26792 1 107 . 1 1 37 37 GLY CA C 13 40.7 0.2 . 1 . . . . 66 GLY CA . 26792 1 108 . 1 1 37 37 GLY N N 15 109.1 0.2 . 1 . . . . 66 GLY N . 26792 1 109 . 1 1 38 38 ALA H H 1 7.60 0.02 . 1 . . . . 67 ALA H . 26792 1 110 . 1 1 38 38 ALA CA C 13 47.9 0.2 . 1 . . . . 67 ALA CA . 26792 1 111 . 1 1 38 38 ALA CB C 13 15.0 0.2 . 1 . . . . 67 ALA CB . 26792 1 112 . 1 1 38 38 ALA N N 15 123.9 0.2 . 1 . . . . 67 ALA N . 26792 1 113 . 1 1 39 39 GLY H H 1 8.33 0.02 . 1 . . . . 68 GLY H . 26792 1 114 . 1 1 39 39 GLY CA C 13 41.4 0.2 . 1 . . . . 68 GLY CA . 26792 1 115 . 1 1 39 39 GLY N N 15 106.2 0.2 . 1 . . . . 68 GLY N . 26792 1 116 . 1 1 40 40 GLY H H 1 8.11 0.02 . 1 . . . . 69 GLY H . 26792 1 117 . 1 1 40 40 GLY CA C 13 41.3 0.2 . 1 . . . . 69 GLY CA . 26792 1 118 . 1 1 40 40 GLY N N 15 107.9 0.2 . 1 . . . . 69 GLY N . 26792 1 119 . 1 1 41 41 LEU H H 1 7.25 0.02 . 1 . . . . 70 LEU H . 26792 1 120 . 1 1 41 41 LEU CA C 13 50.6 0.2 . 1 . . . . 70 LEU CA . 26792 1 121 . 1 1 41 41 LEU CB C 13 39.1 0.2 . 1 . . . . 70 LEU CB . 26792 1 122 . 1 1 41 41 LEU N N 15 120.4 0.2 . 1 . . . . 70 LEU N . 26792 1 123 . 1 1 42 42 ARG H H 1 8.43 0.02 . 1 . . . . 71 ARG H . 26792 1 124 . 1 1 42 42 ARG CA C 13 50.5 0.2 . 1 . . . . 71 ARG CA . 26792 1 125 . 1 1 42 42 ARG CB C 13 30.2 0.2 . 1 . . . . 71 ARG CB . 26792 1 126 . 1 1 42 42 ARG N N 15 124.5 0.2 . 1 . . . . 71 ARG N . 26792 1 127 . 1 1 43 43 THR H H 1 8.90 0.02 . 1 . . . . 72 THR H . 26792 1 128 . 1 1 43 43 THR CA C 13 57.2 0.2 . 1 . . . . 72 THR CA . 26792 1 129 . 1 1 43 43 THR CB C 13 65.6 0.2 . 1 . . . . 72 THR CB . 26792 1 130 . 1 1 43 43 THR N N 15 120.3 0.2 . 1 . . . . 72 THR N . 26792 1 131 . 1 1 44 44 HIS H H 1 9.03 0.02 . 1 . . . . 73 HIS H . 26792 1 132 . 1 1 44 44 HIS CA C 13 49.0 0.2 . 1 . . . . 73 HIS CA . 26792 1 133 . 1 1 44 44 HIS CB C 13 29.2 0.2 . 1 . . . . 73 HIS CB . 26792 1 134 . 1 1 44 44 HIS N N 15 124.7 0.2 . 1 . . . . 73 HIS N . 26792 1 135 . 1 1 45 45 LEU H H 1 8.41 0.02 . 1 . . . . 74 LEU H . 26792 1 136 . 1 1 45 45 LEU CA C 13 48.4 0.2 . 1 . . . . 74 LEU CA . 26792 1 137 . 1 1 45 45 LEU CB C 13 41.2 0.2 . 1 . . . . 74 LEU CB . 26792 1 138 . 1 1 45 45 LEU N N 15 126.5 0.2 . 1 . . . . 74 LEU N . 26792 1 139 . 1 1 46 46 LYS H H 1 8.81 0.02 . 1 . . . . 75 LYS H . 26792 1 140 . 1 1 46 46 LYS CA C 13 51.3 0.2 . 1 . . . . 75 LYS CA . 26792 1 141 . 1 1 46 46 LYS CB C 13 32.5 0.2 . 1 . . . . 75 LYS CB . 26792 1 142 . 1 1 46 46 LYS N N 15 130.5 0.2 . 1 . . . . 75 LYS N . 26792 1 143 . 1 1 47 47 ILE H H 1 9.02 0.02 . 1 . . . . 76 ILE H . 26792 1 144 . 1 1 47 47 ILE CA C 13 55.4 0.2 . 1 . . . . 76 ILE CA . 26792 1 145 . 1 1 47 47 ILE CB C 13 34.2 0.2 . 1 . . . . 76 ILE CB . 26792 1 146 . 1 1 47 47 ILE N N 15 127.6 0.2 . 1 . . . . 76 ILE N . 26792 1 147 . 1 1 48 48 THR H H 1 8.85 0.02 . 1 . . . . 77 THR H . 26792 1 148 . 1 1 48 48 THR CA C 13 54.0 0.2 . 1 . . . . 77 THR CA . 26792 1 149 . 1 1 48 48 THR CB C 13 67.9 0.2 . 1 . . . . 77 THR CB . 26792 1 150 . 1 1 48 48 THR N N 15 118.3 0.2 . 1 . . . . 77 THR N . 26792 1 151 . 1 1 49 49 ASP H H 1 7.59 0.02 . 1 . . . . 78 ASP H . 26792 1 152 . 1 1 49 49 ASP CA C 13 47.4 0.2 . 1 . . . . 78 ASP CA . 26792 1 153 . 1 1 49 49 ASP CB C 13 36.8 0.2 . 1 . . . . 78 ASP CB . 26792 1 154 . 1 1 49 49 ASP N N 15 118.3 0.2 . 1 . . . . 78 ASP N . 26792 1 155 . 1 1 50 50 SER CA C 13 56.6 0.2 . 1 . . . . 79 SER CA . 26792 1 156 . 1 1 50 50 SER CB C 13 58.1 0.2 . 1 . . . . 79 SER CB . 26792 1 157 . 1 1 51 51 ALA H H 1 7.57 0.02 . 1 . . . . 80 ALA H . 26792 1 158 . 1 1 51 51 ALA CA C 13 46.7 0.2 . 1 . . . . 80 ALA CA . 26792 1 159 . 1 1 51 51 ALA CB C 13 14.6 0.2 . 1 . . . . 80 ALA CB . 26792 1 160 . 1 1 51 51 ALA N N 15 124.0 0.2 . 1 . . . . 80 ALA N . 26792 1 161 . 1 1 52 52 GLY H H 1 7.70 0.02 . 1 . . . . 81 GLY H . 26792 1 162 . 1 1 52 52 GLY CA C 13 40.2 0.2 . 1 . . . . 81 GLY CA . 26792 1 163 . 1 1 52 52 GLY N N 15 106.5 0.2 . 1 . . . . 81 GLY N . 26792 1 164 . 1 1 53 53 HIS H H 1 8.52 0.02 . 1 . . . . 82 HIS H . 26792 1 165 . 1 1 53 53 HIS CA C 13 51.3 0.2 . 1 . . . . 82 HIS CA . 26792 1 166 . 1 1 53 53 HIS CB C 13 23.2 0.2 . 1 . . . . 82 HIS CB . 26792 1 167 . 1 1 53 53 HIS N N 15 121.1 0.2 . 1 . . . . 82 HIS N . 26792 1 168 . 1 1 54 54 ILE H H 1 8.47 0.02 . 1 . . . . 83 ILE H . 26792 1 169 . 1 1 54 54 ILE CA C 13 56.9 0.2 . 1 . . . . 83 ILE CA . 26792 1 170 . 1 1 54 54 ILE CB C 13 32.7 0.2 . 1 . . . . 83 ILE CB . 26792 1 171 . 1 1 54 54 ILE N N 15 118.2 0.2 . 1 . . . . 83 ILE N . 26792 1 172 . 1 1 55 55 LEU H H 1 8.30 0.02 . 1 . . . . 84 LEU H . 26792 1 173 . 1 1 55 55 LEU CA C 13 50.2 0.2 . 1 . . . . 84 LEU CA . 26792 1 174 . 1 1 55 55 LEU CB C 13 37.3 0.2 . 1 . . . . 84 LEU CB . 26792 1 175 . 1 1 55 55 LEU N N 15 125.9 0.2 . 1 . . . . 84 LEU N . 26792 1 176 . 1 1 56 56 TYR H H 1 7.12 0.02 . 1 . . . . 85 TYR H . 26792 1 177 . 1 1 56 56 TYR CA C 13 53.8 0.2 . 1 . . . . 85 TYR CA . 26792 1 178 . 1 1 56 56 TYR CB C 13 36.4 0.2 . 1 . . . . 85 TYR CB . 26792 1 179 . 1 1 56 56 TYR N N 15 116.8 0.2 . 1 . . . . 85 TYR N . 26792 1 180 . 1 1 57 57 ALA H H 1 7.25 0.02 . 1 . . . . 86 ALA H . 26792 1 181 . 1 1 57 57 ALA CA C 13 46.4 0.2 . 1 . . . . 86 ALA CA . 26792 1 182 . 1 1 57 57 ALA CB C 13 17.7 0.2 . 1 . . . . 86 ALA CB . 26792 1 183 . 1 1 57 57 ALA N N 15 128.4 0.2 . 1 . . . . 86 ALA N . 26792 1 184 . 1 1 58 58 LYS H H 1 8.48 0.02 . 1 . . . . 87 LYS H . 26792 1 185 . 1 1 58 58 LYS CA C 13 50.2 0.2 . 1 . . . . 87 LYS CA . 26792 1 186 . 1 1 58 58 LYS CB C 13 31.3 0.2 . 1 . . . . 87 LYS CB . 26792 1 187 . 1 1 58 58 LYS N N 15 121.0 0.2 . 1 . . . . 87 LYS N . 26792 1 188 . 1 1 59 59 GLU H H 1 8.64 0.02 . 1 . . . . 88 GLU H . 26792 1 189 . 1 1 59 59 GLU CA C 13 51.1 0.2 . 1 . . . . 88 GLU CA . 26792 1 190 . 1 1 59 59 GLU CB C 13 25.9 0.2 . 1 . . . . 88 GLU CB . 26792 1 191 . 1 1 59 59 GLU N N 15 128.4 0.2 . 1 . . . . 88 GLU N . 26792 1 192 . 1 1 60 60 ASP H H 1 9.21 0.02 . 1 . . . . 89 ASP H . 26792 1 193 . 1 1 60 60 ASP CA C 13 50.1 0.2 . 1 . . . . 89 ASP CA . 26792 1 194 . 1 1 60 60 ASP CB C 13 34.5 0.2 . 1 . . . . 89 ASP CB . 26792 1 195 . 1 1 60 60 ASP N N 15 123.0 0.2 . 1 . . . . 89 ASP N . 26792 1 196 . 1 1 61 61 ALA H H 1 8.57 0.02 . 1 . . . . 90 ALA H . 26792 1 197 . 1 1 61 61 ALA CA C 13 47.7 0.2 . 1 . . . . 90 ALA CA . 26792 1 198 . 1 1 61 61 ALA CB C 13 14.7 0.2 . 1 . . . . 90 ALA CB . 26792 1 199 . 1 1 61 61 ALA N N 15 122.6 0.2 . 1 . . . . 90 ALA N . 26792 1 200 . 1 1 62 62 THR H H 1 8.96 0.02 . 1 . . . . 91 THR H . 26792 1 201 . 1 1 62 62 THR CA C 13 56.8 0.2 . 1 . . . . 91 THR CA . 26792 1 202 . 1 1 62 62 THR CB C 13 66.3 0.2 . 1 . . . . 91 THR CB . 26792 1 203 . 1 1 62 62 THR N N 15 113.3 0.2 . 1 . . . . 91 THR N . 26792 1 204 . 1 1 63 63 LYS H H 1 8.25 0.02 . 1 . . . . 92 LYS H . 26792 1 205 . 1 1 63 63 LYS CA C 13 49.6 0.2 . 1 . . . . 92 LYS CA . 26792 1 206 . 1 1 63 63 LYS CB C 13 30.8 0.2 . 1 . . . . 92 LYS CB . 26792 1 207 . 1 1 63 63 LYS N N 15 120.7 0.2 . 1 . . . . 92 LYS N . 26792 1 208 . 1 1 64 64 GLY H H 1 7.13 0.02 . 1 . . . . 93 GLY H . 26792 1 209 . 1 1 64 64 GLY CA C 13 40.8 0.2 . 1 . . . . 93 GLY CA . 26792 1 210 . 1 1 64 64 GLY N N 15 111.0 0.2 . 1 . . . . 93 GLY N . 26792 1 211 . 1 1 65 65 LYS H H 1 8.23 0.02 . 1 . . . . 94 LYS H . 26792 1 212 . 1 1 65 65 LYS CA C 13 49.6 0.2 . 1 . . . . 94 LYS CA . 26792 1 213 . 1 1 65 65 LYS CB C 13 32.7 0.2 . 1 . . . . 94 LYS CB . 26792 1 214 . 1 1 65 65 LYS N N 15 118.1 0.2 . 1 . . . . 94 LYS N . 26792 1 215 . 1 1 66 66 PHE H H 1 7.97 0.02 . 1 . . . . 95 PHE H . 26792 1 216 . 1 1 66 66 PHE CA C 13 50.8 0.2 . 1 . . . . 95 PHE CA . 26792 1 217 . 1 1 66 66 PHE CB C 13 37.3 0.2 . 1 . . . . 95 PHE CB . 26792 1 218 . 1 1 66 66 PHE N N 15 115.1 0.2 . 1 . . . . 95 PHE N . 26792 1 219 . 1 1 67 67 ALA H H 1 8.09 0.02 . 1 . . . . 96 ALA H . 26792 1 220 . 1 1 67 67 ALA CA C 13 46.9 0.2 . 1 . . . . 96 ALA CA . 26792 1 221 . 1 1 67 67 ALA N N 15 121.3 0.2 . 1 . . . . 96 ALA N . 26792 1 222 . 1 1 69 69 THR CA C 13 55.6 0.2 . 1 . . . . 98 THR CA . 26792 1 223 . 1 1 69 69 THR CB C 13 65.6 0.2 . 1 . . . . 98 THR CB . 26792 1 224 . 1 1 70 70 THR H H 1 8.87 0.02 . 1 . . . . 99 THR H . 26792 1 225 . 1 1 70 70 THR CA C 13 56.3 0.2 . 1 . . . . 99 THR CA . 26792 1 226 . 1 1 70 70 THR CB C 13 65.4 0.2 . 1 . . . . 99 THR CB . 26792 1 227 . 1 1 70 70 THR N N 15 116.8 0.2 . 1 . . . . 99 THR N . 26792 1 228 . 1 1 78 78 VAL CA C 13 56.1 0.2 . 1 . . . . 107 VAL CA . 26792 1 229 . 1 1 78 78 VAL CB C 13 28.3 0.2 . 1 . . . . 107 VAL CB . 26792 1 230 . 1 1 79 79 CYS H H 1 8.76 0.02 . 1 . . . . 108 CYS H . 26792 1 231 . 1 1 79 79 CYS CA C 13 50.5 0.2 . 1 . . . . 108 CYS CA . 26792 1 232 . 1 1 79 79 CYS CB C 13 43.1 0.2 . 1 . . . . 108 CYS CB . 26792 1 233 . 1 1 79 79 CYS N N 15 122.1 0.2 . 1 . . . . 108 CYS N . 26792 1 234 . 1 1 80 80 PHE H H 1 8.93 0.02 . 1 . . . . 109 PHE H . 26792 1 235 . 1 1 80 80 PHE CA C 13 51.2 0.2 . 1 . . . . 109 PHE CA . 26792 1 236 . 1 1 80 80 PHE CB C 13 38.6 0.2 . 1 . . . . 109 PHE CB . 26792 1 237 . 1 1 80 80 PHE N N 15 121.2 0.2 . 1 . . . . 109 PHE N . 26792 1 238 . 1 1 81 81 GLU H H 1 8.70 0.02 . 1 . . . . 110 GLU H . 26792 1 239 . 1 1 81 81 GLU CA C 13 49.8 0.2 . 1 . . . . 110 GLU CA . 26792 1 240 . 1 1 81 81 GLU CB C 13 29.1 0.2 . 1 . . . . 110 GLU CB . 26792 1 241 . 1 1 81 81 GLU N N 15 121.2 0.2 . 1 . . . . 110 GLU N . 26792 1 242 . 1 1 82 82 SER H H 1 8.84 0.02 . 1 . . . . 111 SER H . 26792 1 243 . 1 1 82 82 SER CA C 13 50.2 0.2 . 1 . . . . 111 SER CA . 26792 1 244 . 1 1 82 82 SER CB C 13 63.3 0.2 . 1 . . . . 111 SER CB . 26792 1 245 . 1 1 82 82 SER N N 15 121.0 0.2 . 1 . . . . 111 SER N . 26792 1 246 . 1 1 83 83 LYS H H 1 8.58 0.02 . 1 . . . . 112 LYS H . 26792 1 247 . 1 1 83 83 LYS CA C 13 50.0 0.2 . 1 . . . . 112 LYS CA . 26792 1 248 . 1 1 83 83 LYS CB C 13 32.0 0.2 . 1 . . . . 112 LYS CB . 26792 1 249 . 1 1 83 83 LYS N N 15 121.1 0.2 . 1 . . . . 112 LYS N . 26792 1 250 . 1 1 84 84 GLY H H 1 8.42 0.02 . 1 . . . . 113 GLY H . 26792 1 251 . 1 1 84 84 GLY CA C 13 40.5 0.2 . 1 . . . . 113 GLY CA . 26792 1 252 . 1 1 84 84 GLY N N 15 110.3 0.2 . 1 . . . . 113 GLY N . 26792 1 253 . 1 1 85 85 THR H H 1 8.43 0.02 . 1 . . . . 114 THR H . 26792 1 254 . 1 1 85 85 THR CA C 13 56.7 0.2 . 1 . . . . 114 THR CA . 26792 1 255 . 1 1 85 85 THR CB C 13 66.5 0.2 . 1 . . . . 114 THR CB . 26792 1 256 . 1 1 85 85 THR N N 15 114.5 0.2 . 1 . . . . 114 THR N . 26792 1 257 . 1 1 86 86 GLY H H 1 8.14 0.02 . 1 . . . . 115 GLY H . 26792 1 258 . 1 1 86 86 GLY CA C 13 39.4 0.2 . 1 . . . . 115 GLY CA . 26792 1 259 . 1 1 86 86 GLY N N 15 110.0 0.2 . 1 . . . . 115 GLY N . 26792 1 260 . 1 1 87 87 ARG H H 1 8.19 0.02 . 1 . . . . 116 ARG H . 26792 1 261 . 1 1 87 87 ARG CA C 13 50.8 0.2 . 1 . . . . 116 ARG CA . 26792 1 262 . 1 1 87 87 ARG CB C 13 24.3 0.2 . 1 . . . . 116 ARG CB . 26792 1 263 . 1 1 87 87 ARG N N 15 120.6 0.2 . 1 . . . . 116 ARG N . 26792 1 264 . 1 1 88 88 ILE H H 1 7.15 0.02 . 1 . . . . 117 ILE H . 26792 1 265 . 1 1 88 88 ILE CA C 13 53.3 0.2 . 1 . . . . 117 ILE CA . 26792 1 266 . 1 1 88 88 ILE CB C 13 36.3 0.2 . 1 . . . . 117 ILE CB . 26792 1 267 . 1 1 88 88 ILE N N 15 123.0 0.2 . 1 . . . . 117 ILE N . 26792 1 268 . 1 1 89 89 PRO CA C 13 57.9 0.2 . 1 . . . . 118 PRO CA . 26792 1 269 . 1 1 89 89 PRO CB C 13 28.0 0.2 . 1 . . . . 118 PRO CB . 26792 1 270 . 1 1 90 90 ASP H H 1 8.27 0.02 . 1 . . . . 119 ASP H . 26792 1 271 . 1 1 90 90 ASP CA C 13 50.2 0.2 . 1 . . . . 119 ASP CA . 26792 1 272 . 1 1 90 90 ASP CB C 13 36.5 0.2 . 1 . . . . 119 ASP CB . 26792 1 273 . 1 1 90 90 ASP N N 15 121.1 0.2 . 1 . . . . 119 ASP N . 26792 1 274 . 1 1 91 91 GLN H H 1 7.44 0.02 . 1 . . . . 120 GLN H . 26792 1 275 . 1 1 91 91 GLN CA C 13 50.7 0.2 . 1 . . . . 120 GLN CA . 26792 1 276 . 1 1 91 91 GLN CB C 13 28.6 0.2 . 1 . . . . 120 GLN CB . 26792 1 277 . 1 1 91 91 GLN N N 15 117.9 0.2 . 1 . . . . 120 GLN N . 26792 1 278 . 1 1 92 92 LEU H H 1 8.16 0.02 . 1 . . . . 121 LEU H . 26792 1 279 . 1 1 92 92 LEU CA C 13 49.2 0.2 . 1 . . . . 121 LEU CA . 26792 1 280 . 1 1 92 92 LEU CB C 13 39.1 0.2 . 1 . . . . 121 LEU CB . 26792 1 281 . 1 1 92 92 LEU N N 15 123.6 0.2 . 1 . . . . 121 LEU N . 26792 1 282 . 1 1 93 93 VAL H H 1 8.51 0.02 . 1 . . . . 122 VAL H . 26792 1 283 . 1 1 93 93 VAL CA C 13 56.2 0.2 . 1 . . . . 122 VAL CA . 26792 1 284 . 1 1 93 93 VAL CB C 13 28.1 0.2 . 1 . . . . 122 VAL CB . 26792 1 285 . 1 1 93 93 VAL N N 15 127.9 0.2 . 1 . . . . 122 VAL N . 26792 1 286 . 1 1 94 94 ILE H H 1 8.18 0.02 . 1 . . . . 123 ILE H . 26792 1 287 . 1 1 94 94 ILE CA C 13 55.3 0.2 . 1 . . . . 123 ILE CA . 26792 1 288 . 1 1 94 94 ILE CB C 13 36.1 0.2 . 1 . . . . 123 ILE CB . 26792 1 289 . 1 1 94 94 ILE N N 15 124.5 0.2 . 1 . . . . 123 ILE N . 26792 1 290 . 1 1 95 95 LEU H H 1 8.77 0.02 . 1 . . . . 124 LEU H . 26792 1 291 . 1 1 95 95 LEU CA C 13 48.9 0.2 . 1 . . . . 124 LEU CA . 26792 1 292 . 1 1 95 95 LEU CB C 13 41.8 0.2 . 1 . . . . 124 LEU CB . 26792 1 293 . 1 1 95 95 LEU N N 15 126.2 0.2 . 1 . . . . 124 LEU N . 26792 1 294 . 1 1 96 96 ASP H H 1 8.95 0.02 . 1 . . . . 125 ASP H . 26792 1 295 . 1 1 96 96 ASP CA C 13 48.5 0.2 . 1 . . . . 125 ASP CA . 26792 1 296 . 1 1 96 96 ASP CB C 13 39.3 0.2 . 1 . . . . 125 ASP CB . 26792 1 297 . 1 1 96 96 ASP N N 15 126.9 0.2 . 1 . . . . 125 ASP N . 26792 1 298 . 1 1 97 97 MET H H 1 8.47 0.02 . 1 . . . . 126 MET H . 26792 1 299 . 1 1 97 97 MET CA C 13 50.0 0.2 . 1 . . . . 126 MET CA . 26792 1 300 . 1 1 97 97 MET CB C 13 39.2 0.2 . 1 . . . . 126 MET CB . 26792 1 301 . 1 1 97 97 MET N N 15 123.4 0.2 . 1 . . . . 126 MET N . 26792 1 302 . 1 1 98 98 LYS H H 1 8.96 0.02 . 1 . . . . 127 LYS H . 26792 1 303 . 1 1 98 98 LYS CA C 13 50.2 0.2 . 1 . . . . 127 LYS CA . 26792 1 304 . 1 1 98 98 LYS CB C 13 31.4 0.2 . 1 . . . . 127 LYS CB . 26792 1 305 . 1 1 98 98 LYS N N 15 124.3 0.2 . 1 . . . . 127 LYS N . 26792 1 306 . 1 1 99 99 HIS H H 1 8.21 0.02 . 1 . . . . 128 HIS H . 26792 1 307 . 1 1 99 99 HIS CA C 13 49.2 0.2 . 1 . . . . 128 HIS CA . 26792 1 308 . 1 1 99 99 HIS CB C 13 26.8 0.2 . 1 . . . . 128 HIS CB . 26792 1 309 . 1 1 99 99 HIS N N 15 117.4 0.2 . 1 . . . . 128 HIS N . 26792 1 310 . 1 1 100 100 GLY H H 1 8.67 0.02 . 1 . . . . 129 GLY H . 26792 1 311 . 1 1 100 100 GLY CA C 13 40.6 0.2 . 1 . . . . 129 GLY CA . 26792 1 312 . 1 1 100 100 GLY N N 15 109.7 0.2 . 1 . . . . 129 GLY N . 26792 1 313 . 1 1 101 101 VAL H H 1 7.99 0.02 . 1 . . . . 130 VAL H . 26792 1 314 . 1 1 101 101 VAL CA C 13 57.1 0.2 . 1 . . . . 130 VAL CA . 26792 1 315 . 1 1 101 101 VAL CB C 13 28.5 0.2 . 1 . . . . 130 VAL CB . 26792 1 316 . 1 1 101 101 VAL N N 15 118.1 0.2 . 1 . . . . 130 VAL N . 26792 1 317 . 1 1 102 102 GLU H H 1 8.23 0.02 . 1 . . . . 131 GLU H . 26792 1 318 . 1 1 102 102 GLU CA C 13 51.7 0.2 . 1 . . . . 131 GLU CA . 26792 1 319 . 1 1 102 102 GLU CB C 13 25.9 0.2 . 1 . . . . 131 GLU CB . 26792 1 320 . 1 1 102 102 GLU N N 15 124.1 0.2 . 1 . . . . 131 GLU N . 26792 1 321 . 1 1 103 103 ALA H H 1 7.77 0.02 . 1 . . . . 132 ALA H . 26792 1 322 . 1 1 103 103 ALA CA C 13 49.0 0.2 . 1 . . . . 132 ALA CA . 26792 1 323 . 1 1 103 103 ALA CB C 13 15.8 0.2 . 1 . . . . 132 ALA CB . 26792 1 324 . 1 1 103 103 ALA N N 15 130.8 0.2 . 1 . . . . 132 ALA N . 26792 1 stop_ save_