data_50198 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50198 _Entry.Title ; 1H, 15N Resonance Assignments of VAMP2(1-96) in SH-SY5Y Cells ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-02-18 _Entry.Accession_date 2020-02-18 _Entry.Last_release_date 2020-02-18 _Entry.Original_release_date 2020-02-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Chuchu Wang . . . . 50198 2 Jia Tu . . . . 50198 3 Shengnan Zhang . . . . 50198 4 Dan Li . . . . 50198 5 Cong Liu . . . . 50198 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Membrane Protein Structures by Solution NMR' . 50198 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50198 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 69 50198 '1H chemical shifts' 69 50198 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2020-07-13 2020-02-18 update BMRB 'update entry citation' 50198 1 . . 2020-02-19 2020-02-18 original author 'original release' 50198 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4272 'VAMP2(1-96) in solution' 50198 BMRB 50199 'VAMP2(1-96) in HEK-293T Cells' 50198 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50198 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32210233 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Different regions of synaptic vesicle membrane regulate VAMP2 conformation for the SNARE assembly ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 11 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 1531 _Citation.Page_last 1531 _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Chuchu Wang . . . . 50198 1 2 Jia Tu . . . . 50198 1 3 Shengnan Zhang . . . . 50198 1 4 Bin Cai . . . . 50198 1 5 Zhenying Liu . . . . 50198 1 6 Shouqiao Hou . . . . 50198 1 7 Qinglu Zhong . . . . 50198 1 8 Xiao Hu . . . . 50198 1 9 Wenbin Liu . . . . 50198 1 10 Guohui Li . . . . 50198 1 11 Zhijun Liu . . . . 50198 1 12 Lin He . . . . 50198 1 13 Jiajie Diao . . . . 50198 1 14 Zheng-Jiang Zhu . . . . 50198 1 15 Dan Li . . . . 50198 1 16 Cong Liu . . . . 50198 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'In-cell NMR, SNARE, Lipidomics, Lipid Raft' 50198 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50198 _Assembly.ID 1 _Assembly.Name 'VAMP2(1-96) in SH-SY5Y Cells' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _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 'VAMP2(1-96) in SH-SY5Y Cells' 1 $entity_1 . . yes native no no . . . 50198 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50198 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSATAATVPPAAPAGEGGPP APPPNLTSNRRLQQTQAQVD EVVDIMRVNVDKVLERDQKL SELDDRADALQAGASQFETS AAKLKRKYWWKNLKMM ; _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 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 . MET . 50198 1 2 . SER . 50198 1 3 . ALA . 50198 1 4 . THR . 50198 1 5 . ALA . 50198 1 6 . ALA . 50198 1 7 . THR . 50198 1 8 . VAL . 50198 1 9 . PRO . 50198 1 10 . PRO . 50198 1 11 . ALA . 50198 1 12 . ALA . 50198 1 13 . PRO . 50198 1 14 . ALA . 50198 1 15 . GLY . 50198 1 16 . GLU . 50198 1 17 . GLY . 50198 1 18 . GLY . 50198 1 19 . PRO . 50198 1 20 . PRO . 50198 1 21 . ALA . 50198 1 22 . PRO . 50198 1 23 . PRO . 50198 1 24 . PRO . 50198 1 25 . ASN . 50198 1 26 . LEU . 50198 1 27 . THR . 50198 1 28 . SER . 50198 1 29 . ASN . 50198 1 30 . ARG . 50198 1 31 . ARG . 50198 1 32 . LEU . 50198 1 33 . GLN . 50198 1 34 . GLN . 50198 1 35 . THR . 50198 1 36 . GLN . 50198 1 37 . ALA . 50198 1 38 . GLN . 50198 1 39 . VAL . 50198 1 40 . ASP . 50198 1 41 . GLU . 50198 1 42 . VAL . 50198 1 43 . VAL . 50198 1 44 . ASP . 50198 1 45 . ILE . 50198 1 46 . MET . 50198 1 47 . ARG . 50198 1 48 . VAL . 50198 1 49 . ASN . 50198 1 50 . VAL . 50198 1 51 . ASP . 50198 1 52 . LYS . 50198 1 53 . VAL . 50198 1 54 . LEU . 50198 1 55 . GLU . 50198 1 56 . ARG . 50198 1 57 . ASP . 50198 1 58 . GLN . 50198 1 59 . LYS . 50198 1 60 . LEU . 50198 1 61 . SER . 50198 1 62 . GLU . 50198 1 63 . LEU . 50198 1 64 . ASP . 50198 1 65 . ASP . 50198 1 66 . ARG . 50198 1 67 . ALA . 50198 1 68 . ASP . 50198 1 69 . ALA . 50198 1 70 . LEU . 50198 1 71 . GLN . 50198 1 72 . ALA . 50198 1 73 . GLY . 50198 1 74 . ALA . 50198 1 75 . SER . 50198 1 76 . GLN . 50198 1 77 . PHE . 50198 1 78 . GLU . 50198 1 79 . THR . 50198 1 80 . SER . 50198 1 81 . ALA . 50198 1 82 . ALA . 50198 1 83 . LYS . 50198 1 84 . LEU . 50198 1 85 . LYS . 50198 1 86 . ARG . 50198 1 87 . LYS . 50198 1 88 . TYR . 50198 1 89 . TRP . 50198 1 90 . TRP . 50198 1 91 . LYS . 50198 1 92 . ASN . 50198 1 93 . LEU . 50198 1 94 . LYS . 50198 1 95 . MET . 50198 1 96 . MET . 50198 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 50198 1 . SER 2 2 50198 1 . ALA 3 3 50198 1 . THR 4 4 50198 1 . ALA 5 5 50198 1 . ALA 6 6 50198 1 . THR 7 7 50198 1 . VAL 8 8 50198 1 . PRO 9 9 50198 1 . PRO 10 10 50198 1 . ALA 11 11 50198 1 . ALA 12 12 50198 1 . PRO 13 13 50198 1 . ALA 14 14 50198 1 . GLY 15 15 50198 1 . GLU 16 16 50198 1 . GLY 17 17 50198 1 . GLY 18 18 50198 1 . PRO 19 19 50198 1 . PRO 20 20 50198 1 . ALA 21 21 50198 1 . PRO 22 22 50198 1 . PRO 23 23 50198 1 . PRO 24 24 50198 1 . ASN 25 25 50198 1 . LEU 26 26 50198 1 . THR 27 27 50198 1 . SER 28 28 50198 1 . ASN 29 29 50198 1 . ARG 30 30 50198 1 . ARG 31 31 50198 1 . LEU 32 32 50198 1 . GLN 33 33 50198 1 . GLN 34 34 50198 1 . THR 35 35 50198 1 . GLN 36 36 50198 1 . ALA 37 37 50198 1 . GLN 38 38 50198 1 . VAL 39 39 50198 1 . ASP 40 40 50198 1 . GLU 41 41 50198 1 . VAL 42 42 50198 1 . VAL 43 43 50198 1 . ASP 44 44 50198 1 . ILE 45 45 50198 1 . MET 46 46 50198 1 . ARG 47 47 50198 1 . VAL 48 48 50198 1 . ASN 49 49 50198 1 . VAL 50 50 50198 1 . ASP 51 51 50198 1 . LYS 52 52 50198 1 . VAL 53 53 50198 1 . LEU 54 54 50198 1 . GLU 55 55 50198 1 . ARG 56 56 50198 1 . ASP 57 57 50198 1 . GLN 58 58 50198 1 . LYS 59 59 50198 1 . LEU 60 60 50198 1 . SER 61 61 50198 1 . GLU 62 62 50198 1 . LEU 63 63 50198 1 . ASP 64 64 50198 1 . ASP 65 65 50198 1 . ARG 66 66 50198 1 . ALA 67 67 50198 1 . ASP 68 68 50198 1 . ALA 69 69 50198 1 . LEU 70 70 50198 1 . GLN 71 71 50198 1 . ALA 72 72 50198 1 . GLY 73 73 50198 1 . ALA 74 74 50198 1 . SER 75 75 50198 1 . GLN 76 76 50198 1 . PHE 77 77 50198 1 . GLU 78 78 50198 1 . THR 79 79 50198 1 . SER 80 80 50198 1 . ALA 81 81 50198 1 . ALA 82 82 50198 1 . LYS 83 83 50198 1 . LEU 84 84 50198 1 . LYS 85 85 50198 1 . ARG 86 86 50198 1 . LYS 87 87 50198 1 . TYR 88 88 50198 1 . TRP 89 89 50198 1 . TRP 90 90 50198 1 . LYS 91 91 50198 1 . ASN 92 92 50198 1 . LEU 93 93 50198 1 . LYS 94 94 50198 1 . MET 95 95 50198 1 . MET 96 96 50198 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50198 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . 50198 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50198 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pDC191 . . . 50198 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50198 _Sample.ID 1 _Sample.Name 'VAMP(1-96) in SH-SY5Y Cells' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 'VAMP2(1-96) in SH-SY5Y Cells' '[U-100% 15N]' . . 1 $entity_1 . . 0.08 . . mM 0.01 . . . 50198 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 50198 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Common HSQC Aquicition Condition' _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' 0.158 . M 50198 1 pH 7.4 . pH 50198 1 pressure 1 . atm 50198 1 temperature 298 . K 50198 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50198 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version 8.9 _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID nmrView processing 50198 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50198 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version 3.115 _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID Sparky 'chemical shift assignment' 50198 2 Sparky 'chemical shift calculation' 50198 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50198 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name SOFAST-HMQC _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50198 _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 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50198 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50198 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name VAMP2(1-96) _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 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50198 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50198 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50198 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'VAMP2(1-96) in SH-SY5Y Cells' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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' . . . 50198 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 2 $software_2 . . 50198 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET H H 1 8.349 . . . . . . . . 1 M HN . 50198 1 2 . 1 . 1 1 1 MET N N 15 121.804 . . . . . . . . 1 M N . 50198 1 3 . 1 . 1 2 2 SER H H 1 8.353 . . . . . . . . 2 S HN . 50198 1 4 . 1 . 1 2 2 SER N N 15 117.440 . . . . . . . . 2 S N . 50198 1 5 . 1 . 1 3 3 ALA H H 1 8.431 . . . . . . . . 3 A HN . 50198 1 6 . 1 . 1 3 3 ALA N N 15 126.358 . . . . . . . . 3 A N . 50198 1 7 . 1 . 1 4 4 THR H H 1 8.075 . . . . . . . . 4 T HN . 50198 1 8 . 1 . 1 4 4 THR N N 15 113.080 . . . . . . . . 4 T N . 50198 1 9 . 1 . 1 5 5 ALA H H 1 8.206 . . . . . . . . 5 A HN . 50198 1 10 . 1 . 1 5 5 ALA N N 15 126.618 . . . . . . . . 5 A N . 50198 1 11 . 1 . 1 6 6 ALA H H 1 8.239 . . . . . . . . 6 A HN . 50198 1 12 . 1 . 1 6 6 ALA N N 15 123.350 . . . . . . . . 6 A N . 50198 1 13 . 1 . 1 7 7 THR H H 1 8.098 . . . . . . . . 7 T HN . 50198 1 14 . 1 . 1 7 7 THR N N 15 114.266 . . . . . . . . 7 T N . 50198 1 15 . 1 . 1 8 8 VAL H H 1 8.152 . . . . . . . . 8 V HN . 50198 1 16 . 1 . 1 8 8 VAL N N 15 124.518 . . . . . . . . 8 V N . 50198 1 17 . 1 . 1 11 11 ALA H H 1 8.280 . . . . . . . . 11 A HN . 50198 1 18 . 1 . 1 11 11 ALA N N 15 124.445 . . . . . . . . 11 A N . 50198 1 19 . 1 . 1 12 12 ALA H H 1 8.259 . . . . . . . . 12 A HN . 50198 1 20 . 1 . 1 12 12 ALA N N 15 124.866 . . . . . . . . 12 A N . 50198 1 21 . 1 . 1 14 14 ALA H H 1 8.441 . . . . . . . . 14 A HN . 50198 1 22 . 1 . 1 14 14 ALA N N 15 124.672 . . . . . . . . 14 A N . 50198 1 23 . 1 . 1 15 15 GLY H H 1 8.345 . . . . . . . . 15 G HN . 50198 1 24 . 1 . 1 15 15 GLY N N 15 108.326 . . . . . . . . 15 G N . 50198 1 25 . 1 . 1 16 16 GLU H H 1 8.306 . . . . . . . . 16 E HN . 50198 1 26 . 1 . 1 16 16 GLU N N 15 120.599 . . . . . . . . 16 E N . 50198 1 27 . 1 . 1 17 17 GLY H H 1 8.505 . . . . . . . . 17 G HN . 50198 1 28 . 1 . 1 17 17 GLY N N 15 110.101 . . . . . . . . 17 G N . 50198 1 29 . 1 . 1 18 18 GLY H H 1 8.080 . . . . . . . . 18 G HN . 50198 1 30 . 1 . 1 18 18 GLY N N 15 108.934 . . . . . . . . 18 G N . 50198 1 31 . 1 . 1 21 21 ALA H H 1 8.334 . . . . . . . . 21 A HN . 50198 1 32 . 1 . 1 21 21 ALA N N 15 125.627 . . . . . . . . 21 A N . 50198 1 33 . 1 . 1 25 25 ASN H H 1 8.442 . . . . . . . . 25 N HN . 50198 1 34 . 1 . 1 25 25 ASN N N 15 118.117 . . . . . . . . 25 N N . 50198 1 35 . 1 . 1 26 26 LEU H H 1 8.249 . . . . . . . . 26 L HN . 50198 1 36 . 1 . 1 26 26 LEU N N 15 122.896 . . . . . . . . 26 L N . 50198 1 37 . 1 . 1 27 27 THR H H 1 8.114 . . . . . . . . 27 T HN . 50198 1 38 . 1 . 1 27 27 THR N N 15 113.941 . . . . . . . . 27 T N . 50198 1 39 . 1 . 1 28 28 SER H H 1 8.225 . . . . . . . . 28 S HN . 50198 1 40 . 1 . 1 28 28 SER N N 15 117.449 . . . . . . . . 28 S N . 50198 1 41 . 1 . 1 29 29 ASN H H 1 8.398 . . . . . . . . 29 N HN . 50198 1 42 . 1 . 1 29 29 ASN N N 15 120.754 . . . . . . . . 29 N N . 50198 1 43 . 1 . 1 30 30 ARG H H 1 8.200 . . . . . . . . 30 R HN . 50198 1 44 . 1 . 1 30 30 ARG N N 15 121.354 . . . . . . . . 30 R N . 50198 1 45 . 1 . 1 31 31 ARG H H 1 8.276 . . . . . . . . 31 R HN . 50198 1 46 . 1 . 1 31 31 ARG N N 15 121.604 . . . . . . . . 31 R N . 50198 1 47 . 1 . 1 32 32 LEU H H 1 8.179 . . . . . . . . 32 L HN . 50198 1 48 . 1 . 1 32 32 LEU N N 15 122.760 . . . . . . . . 32 L N . 50198 1 49 . 1 . 1 33 33 GLN H H 1 8.268 . . . . . . . . 33 Q HN . 50198 1 50 . 1 . 1 33 33 GLN N N 15 120.700 . . . . . . . . 33 Q N . 50198 1 51 . 1 . 1 34 34 GLN H H 1 8.384 . . . . . . . . 34 Q HN . 50198 1 52 . 1 . 1 34 34 GLN N N 15 121.472 . . . . . . . . 34 Q N . 50198 1 53 . 1 . 1 35 35 THR H H 1 8.202 . . . . . . . . 35 T HN . 50198 1 54 . 1 . 1 35 35 THR N N 15 115.357 . . . . . . . . 35 T N . 50198 1 55 . 1 . 1 36 36 GLN H H 1 8.412 . . . . . . . . 36 Q HN . 50198 1 56 . 1 . 1 36 36 GLN N N 15 122.706 . . . . . . . . 36 Q N . 50198 1 57 . 1 . 1 37 37 ALA H H 1 8.304 . . . . . . . . 37 A HN . 50198 1 58 . 1 . 1 37 37 ALA N N 15 125.141 . . . . . . . . 37 A N . 50198 1 59 . 1 . 1 38 38 GLN H H 1 8.309 . . . . . . . . 38 Q HN . 50198 1 60 . 1 . 1 38 38 GLN N N 15 119.929 . . . . . . . . 38 Q N . 50198 1 61 . 1 . 1 39 39 VAL H H 1 8.179 . . . . . . . . 39 V HN . 50198 1 62 . 1 . 1 39 39 VAL N N 15 121.316 . . . . . . . . 39 V N . 50198 1 63 . 1 . 1 40 40 ASP H H 1 8.357 . . . . . . . . 40 D HN . 50198 1 64 . 1 . 1 40 40 ASP N N 15 123.565 . . . . . . . . 40 D N . 50198 1 65 . 1 . 1 41 41 GLU H H 1 8.203 . . . . . . . . 41 E HN . 50198 1 66 . 1 . 1 41 41 GLU N N 15 121.121 . . . . . . . . 41 E N . 50198 1 67 . 1 . 1 42 42 VAL H H 1 8.205 . . . . . . . . 42 V HN . 50198 1 68 . 1 . 1 42 42 VAL N N 15 122.174 . . . . . . . . 42 V N . 50198 1 69 . 1 . 1 43 43 VAL H H 1 8.169 . . . . . . . . 43 V HN . 50198 1 70 . 1 . 1 43 43 VAL N N 15 124.189 . . . . . . . . 43 V N . 50198 1 71 . 1 . 1 44 44 ASP H H 1 8.340 . . . . . . . . 44 D HN . 50198 1 72 . 1 . 1 44 44 ASP N N 15 124.360 . . . . . . . . 44 D N . 50198 1 73 . 1 . 1 45 45 ILE H H 1 8.075 . . . . . . . . 45 I HN . 50198 1 74 . 1 . 1 45 45 ILE N N 15 121.354 . . . . . . . . 45 I N . 50198 1 75 . 1 . 1 46 46 MET H H 1 8.352 . . . . . . . . 46 M HN . 50198 1 76 . 1 . 1 46 46 MET N N 15 122.577 . . . . . . . . 46 M N . 50198 1 77 . 1 . 1 47 47 ARG H H 1 8.073 . . . . . . . . 47 R HN . 50198 1 78 . 1 . 1 47 47 ARG N N 15 121.908 . . . . . . . . 47 R N . 50198 1 79 . 1 . 1 48 48 VAL H H 1 8.028 . . . . . . . . 48 V HN . 50198 1 80 . 1 . 1 48 48 VAL N N 15 120.539 . . . . . . . . 48 V N . 50198 1 81 . 1 . 1 49 49 ASN H H 1 8.495 . . . . . . . . 49 N HN . 50198 1 82 . 1 . 1 49 49 ASN N N 15 122.409 . . . . . . . . 49 N N . 50198 1 83 . 1 . 1 50 50 VAL H H 1 8.072 . . . . . . . . 50 V HN . 50198 1 84 . 1 . 1 50 50 VAL N N 15 120.369 . . . . . . . . 50 V N . 50198 1 85 . 1 . 1 51 51 ASP H H 1 8.321 . . . . . . . . 51 D HN . 50198 1 86 . 1 . 1 51 51 ASP N N 15 123.133 . . . . . . . . 51 D N . 50198 1 87 . 1 . 1 52 52 LYS H H 1 8.097 . . . . . . . . 52 K HN . 50198 1 88 . 1 . 1 52 52 LYS N N 15 121.597 . . . . . . . . 52 K N . 50198 1 89 . 1 . 1 53 53 VAL H H 1 8.051 . . . . . . . . 53 V HN . 50198 1 90 . 1 . 1 53 53 VAL N N 15 121.758 . . . . . . . . 53 V N . 50198 1 91 . 1 . 1 54 54 LEU H H 1 8.250 . . . . . . . . 54 L HN . 50198 1 92 . 1 . 1 54 54 LEU N N 15 125.249 . . . . . . . . 54 L N . 50198 1 93 . 1 . 1 55 55 GLU H H 1 8.296 . . . . . . . . 55 E HN . 50198 1 94 . 1 . 1 55 55 GLU N N 15 121.609 . . . . . . . . 55 E N . 50198 1 95 . 1 . 1 56 56 ARG H H 1 8.229 . . . . . . . . 56 R HN . 50198 1 96 . 1 . 1 56 56 ARG N N 15 121.525 . . . . . . . . 56 R N . 50198 1 97 . 1 . 1 57 57 ASP H H 1 8.309 . . . . . . . . 57 D HN . 50198 1 98 . 1 . 1 57 57 ASP N N 15 120.821 . . . . . . . . 57 D N . 50198 1 99 . 1 . 1 58 58 GLN H H 1 8.253 . . . . . . . . 58 Q HN . 50198 1 100 . 1 . 1 58 58 GLN N N 15 121.199 . . . . . . . . 58 Q N . 50198 1 101 . 1 . 1 59 59 LYS H H 1 8.327 . . . . . . . . 59 K HN . 50198 1 102 . 1 . 1 59 59 LYS N N 15 121.754 . . . . . . . . 59 K N . 50198 1 103 . 1 . 1 60 60 LEU H H 1 8.185 . . . . . . . . 60 L HN . 50198 1 104 . 1 . 1 60 60 LEU N N 15 122.724 . . . . . . . . 60 L N . 50198 1 105 . 1 . 1 61 61 SER H H 1 8.236 . . . . . . . . 61 S HN . 50198 1 106 . 1 . 1 61 61 SER N N 15 115.977 . . . . . . . . 61 S N . 50198 1 107 . 1 . 1 62 62 GLU H H 1 8.383 . . . . . . . . 62 E HN . 50198 1 108 . 1 . 1 62 62 GLU N N 15 122.530 . . . . . . . . 62 E N . 50198 1 109 . 1 . 1 63 63 LEU H H 1 8.048 . . . . . . . . 63 L HN . 50198 1 110 . 1 . 1 63 63 LEU N N 15 121.482 . . . . . . . . 63 L N . 50198 1 111 . 1 . 1 64 64 ASP H H 1 8.139 . . . . . . . . 64 D HN . 50198 1 112 . 1 . 1 64 64 ASP N N 15 120.999 . . . . . . . . 64 D N . 50198 1 113 . 1 . 1 65 65 ASP H H 1 8.255 . . . . . . . . 65 D HN . 50198 1 114 . 1 . 1 65 65 ASP N N 15 121.332 . . . . . . . . 65 D N . 50198 1 115 . 1 . 1 66 66 ARG H H 1 8.174 . . . . . . . . 66 R HN . 50198 1 116 . 1 . 1 66 66 ARG N N 15 120.723 . . . . . . . . 66 R N . 50198 1 117 . 1 . 1 67 67 ALA H H 1 8.220 . . . . . . . . 67 A HN . 50198 1 118 . 1 . 1 67 67 ALA N N 15 124.207 . . . . . . . . 67 A N . 50198 1 119 . 1 . 1 68 68 ASP H H 1 8.237 . . . . . . . . 68 D HN . 50198 1 120 . 1 . 1 68 68 ASP N N 15 118.810 . . . . . . . . 68 D N . 50198 1 121 . 1 . 1 69 69 ALA H H 1 8.055 . . . . . . . . 69 A HN . 50198 1 122 . 1 . 1 69 69 ALA N N 15 123.665 . . . . . . . . 69 A N . 50198 1 123 . 1 . 1 70 70 LEU H H 1 8.081 . . . . . . . . 70 L HN . 50198 1 124 . 1 . 1 70 70 LEU N N 15 120.056 . . . . . . . . 70 L N . 50198 1 125 . 1 . 1 71 71 GLN H H 1 8.107 . . . . . . . . 71 Q HN . 50198 1 126 . 1 . 1 71 71 GLN N N 15 120.247 . . . . . . . . 71 Q N . 50198 1 127 . 1 . 1 72 72 ALA H H 1 8.243 . . . . . . . . 72 A HN . 50198 1 128 . 1 . 1 72 72 ALA N N 15 124.763 . . . . . . . . 72 A N . 50198 1 129 . 1 . 1 73 73 GLY H H 1 8.309 . . . . . . . . 73 G HN . 50198 1 130 . 1 . 1 73 73 GLY N N 15 108.199 . . . . . . . . 73 G N . 50198 1 131 . 1 . 1 74 74 ALA H H 1 8.056 . . . . . . . . 74 A HN . 50198 1 132 . 1 . 1 74 74 ALA N N 15 123.624 . . . . . . . . 74 A N . 50198 1 133 . 1 . 1 75 75 SER H H 1 8.440 . . . . . . . . 75 S HN . 50198 1 134 . 1 . 1 75 75 SER N N 15 115.507 . . . . . . . . 75 S N . 50198 1 135 . 1 . 1 76 76 GLN H H 1 8.328 . . . . . . . . 76 Q HN . 50198 1 136 . 1 . 1 76 76 GLN N N 15 121.940 . . . . . . . . 76 Q N . 50198 1 137 . 1 . 1 77 77 PHE H H 1 8.109 . . . . . . . . 77 F HN . 50198 1 138 . 1 . 1 77 77 PHE N N 15 119.900 . . . . . . . . 77 F N . 50198 1 stop_ save_