data_52404 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52404 _Entry.Title ; AtREM13 171-190 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-04-15 _Entry.Accession_date 2024-04-15 _Entry.Last_release_date 2024-04-15 _Entry.Original_release_date 2024-04-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _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 ; This deposition contains the HSQC, TOCSY, and NOESY spectra of the AtREM13_171-190 peptide. AtREM13.str contains these spectra's peak lists, shift lists, and assigned chemical shifts. ; _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 Zeren XU . . . . 52404 2 Birgit Habenstein . . . . 52404 3 Anthony Legrand . . . . 52404 4 Melanie Berbon . . . . 52404 5 Axelle Grelard . . . . 52404 6 Estelle Morvan . . . . 52404 7 Antoine Loquet . . . . 52404 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University Bordeaux, CNRS, Bordeaux INP, CBMN, UMR 5248, IECB' . 52404 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52404 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 19 52404 '1H chemical shifts' 114 52404 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 . . 2024-12-12 . original BMRB . 52404 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52390 'StREM13 160-198' 52404 BMRB 52391 'StREM13 171-198' 52404 BMRB 52393 'StREM13 150-198' 52404 BMRB 52402 'AtREM11 156-175' 52404 BMRB 52403 'AtREM12 193-212' 52404 BMRB 52405 'MtREM22 189-208' 52404 BMRB 52406 'AtREM41 277-296' 52404 BMRB 52407 'AtREM51 536-555' 52404 BMRB 52408 'AtREM62 490-509' 52404 BMRB 52409 'AtREM63 423-442' 52404 BMRB 52410 'AtREM64 408-427' 52404 BMRB 52411 'AtREM65 328-347' 52404 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52404 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 39639105 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Dynamic pre-structuration of lipid nanodomain-segregating remorin proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Commun. Biol.' _Citation.Journal_name_full 'Communications biology' _Citation.Journal_volume 7 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2399-3642 _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 1620 _Citation.Page_last 1620 _Citation.Year 2024 _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 Zeren Xu Z. . . . 52404 1 2 Adrien Schahl A. . . . 52404 1 3 Marie-Dominique Jolivet M. D. . . 52404 1 4 Anthony Legrand A. . . . 52404 1 5 Axelle Grelard A. . . . 52404 1 6 Melanie Berbon M. . . . 52404 1 7 Estelle Morvan E. . . . 52404 1 8 Louis Lagardere L. . . . 52404 1 9 Jean-Philip Piquemal J. P. . . 52404 1 10 Antoine Loquet A. . . . 52404 1 11 Veronique Germain V. . . . 52404 1 12 Matthieu Chavent M. . . . 52404 1 13 Sebastien Mongrand S. . . . 52404 1 14 Birgit Habenstein B. . . . 52404 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52404 _Assembly.ID 1 _Assembly.Name REM-CA _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 . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'C-terminal membrane anchor (REM-CA) of each remorin.' _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 REM-CA 1 $entity_1 . . yes native no no . . . 52404 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52404 _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 ; EMGAKYRATGVVPKATCGCF ; _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 20 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2089.4919 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; Remorin proteins are plant-specific proteins involved in various cellular processes, including membrane dynamics, signal transduction, plant-microbe interactions, abiotic stress responses, and potentially developmental processes. ; 52404 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLU . 52404 1 2 . MET . 52404 1 3 . GLY . 52404 1 4 . ALA . 52404 1 5 . LYS . 52404 1 6 . TYR . 52404 1 7 . ARG . 52404 1 8 . ALA . 52404 1 9 . THR . 52404 1 10 . GLY . 52404 1 11 . VAL . 52404 1 12 . VAL . 52404 1 13 . PRO . 52404 1 14 . LYS . 52404 1 15 . ALA . 52404 1 16 . THR . 52404 1 17 . CYS . 52404 1 18 . GLY . 52404 1 19 . CYS . 52404 1 20 . PHE . 52404 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 . GLU 1 1 52404 1 . MET 2 2 52404 1 . GLY 3 3 52404 1 . ALA 4 4 52404 1 . LYS 5 5 52404 1 . TYR 6 6 52404 1 . ARG 7 7 52404 1 . ALA 8 8 52404 1 . THR 9 9 52404 1 . GLY 10 10 52404 1 . VAL 11 11 52404 1 . VAL 12 12 52404 1 . PRO 13 13 52404 1 . LYS 14 14 52404 1 . ALA 15 15 52404 1 . THR 16 16 52404 1 . CYS 17 17 52404 1 . GLY 18 18 52404 1 . CYS 19 19 52404 1 . PHE 20 20 52404 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 52404 _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 . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . 52404 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 52404 _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 . 'chemical synthesis' . . . . . . . . . . . . . . . . 52404 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_12 _Sample.Sf_category sample _Sample.Sf_framecode sample_12 _Sample.Entry_ID 52404 _Sample.ID 1 _Sample.Name AtREM1.3/171-190 _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 AtREM1.3/171-190 'natural abundance' . . 1 $entity_1 . . 1 . . mM . . . . 52404 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 52404 _Sample_condition_list.ID 1 _Sample_condition_list.Name AtREM1.3/171-190 _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 . M 52404 1 pH 4 . pH 52404 1 pressure 1 . atm 52404 1 temperature 298 . K 52404 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52404 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version V2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52404 1 'data analysis' . 52404 1 'peak picking' . 52404 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52404 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.1.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52404 2 processing . 52404 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 52404 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name nairac _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer 'Bruker Biospin' _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '18,79T (800MHz)' 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 52404 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' yes . . . . . . . . . . . . 1 $sample_12 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52404 1 2 '2D 1H-1H TOCSY' yes . . . . . . . . . . . . 1 $sample_12 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52404 1 3 '2D 1H-1H NOESY' yes . . . . . . . . . . . . 1 $sample_12 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52404 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '2D 1H-15N HSQC' AtREM13_HSQC.zip . 'NMR experiment directory' . . 52404 1 2 '2D 1H-1H TOCSY' AtREM13_TOCSY.zip . 'NMR experiment directory' . . 52404 1 3 '2D 1H-1H NOESY' AtREM13_NOESY.zip . 'NMR experiment directory' . . 52404 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 52404 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Chemical shift references 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 H 1 water protons . . . . ppm 4.7 internal direct 1.000000000 . . . . . 52404 1 N 15 water protons . . . . ppm -254.9 na indirect 0.101329118 . . . . . 52404 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 52404 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name AtREM13 _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' . . . 52404 1 2 '2D 1H-1H TOCSY' . . . 52404 1 3 '2D 1H-1H NOESY' . . . 52404 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 $software_1 . . 52404 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 GLU H H 1 8.262 0.007 . 1 . . 327 . . 1 GLU H . 52404 1 2 . 1 . 1 1 1 GLU HA H 1 4.172 0.012 . 1 . . 329 . . 1 GLU HA . 52404 1 3 . 1 . 1 1 1 GLU HB2 H 1 1.836 0.015 . 2 . . 330 . . 1 GLU HB2 . 52404 1 4 . 1 . 1 1 1 GLU HB3 H 1 1.956 0.008 . 2 . . 331 . . 1 GLU HB3 . 52404 1 5 . 1 . 1 1 1 GLU HG2 H 1 2.313 0.009 . 2 . . 328 . . 1 GLU HG2 . 52404 1 6 . 1 . 1 1 1 GLU HG3 H 1 2.323 0.016 . 2 . . 969 . . 1 GLU HG3 . 52404 1 7 . 1 . 1 1 1 GLU N N 15 126.036 . . 1 . . 332 . . 1 GLU N . 52404 1 8 . 1 . 1 2 2 MET H H 1 8.455 0.003 . 1 . . 296 . . 2 MET H . 52404 1 9 . 1 . 1 2 2 MET HA H 1 4.373 0.011 . 1 . . 298 . . 2 MET HA . 52404 1 10 . 1 . 1 2 2 MET HB2 H 1 2.426 0.021 . 2 . . 300 . . 2 MET HB2 . 52404 1 11 . 1 . 1 2 2 MET HB3 H 1 2.516 0.013 . 2 . . 301 . . 2 MET HB3 . 52404 1 12 . 1 . 1 2 2 MET HG2 H 1 1.924 0.009 . 2 . . 299 . . 2 MET HG2 . 52404 1 13 . 1 . 1 2 2 MET HG3 H 1 1.996 0.015 . 2 . . 302 . . 2 MET HG3 . 52404 1 14 . 1 . 1 2 2 MET N N 15 121.260 . . 1 . . 297 . . 2 MET N . 52404 1 15 . 1 . 1 3 3 GLY H H 1 8.338 0.012 . 1 . . 310 . . 3 GLY H . 52404 1 16 . 1 . 1 3 3 GLY HA2 H 1 3.866 0.016 . 2 . . 312 . . 3 GLY HA2 . 52404 1 17 . 1 . 1 3 3 GLY HA3 H 1 3.820 0.009 . 2 . . 1883 . . 3 GLY HA3 . 52404 1 18 . 1 . 1 3 3 GLY N N 15 109.843 . . 1 . . 311 . . 3 GLY N . 52404 1 19 . 1 . 1 4 4 ALA H H 1 8.066 0.002 . 1 . . 274 . . 4 ALA H . 52404 1 20 . 1 . 1 4 4 ALA HA H 1 4.143 0.004 . 1 . . 276 . . 4 ALA HA . 52404 1 21 . 1 . 1 4 4 ALA HB1 H 1 1.270 0.011 . 1 . . 277 . . 4 ALA HB1 . 52404 1 22 . 1 . 1 4 4 ALA HB2 H 1 1.270 0.011 . 1 . . 277 . . 4 ALA HB2 . 52404 1 23 . 1 . 1 4 4 ALA HB3 H 1 1.270 0.011 . 1 . . 277 . . 4 ALA HB3 . 52404 1 24 . 1 . 1 4 4 ALA N N 15 123.661 . . 1 . . 275 . . 4 ALA N . 52404 1 25 . 1 . 1 5 5 LYS H H 1 8.142 0.01 . 1 . . 278 . . 5 LYS H . 52404 1 26 . 1 . 1 5 5 LYS HA H 1 4.097 0.007 . 1 . . 282 . . 5 LYS HA . 52404 1 27 . 1 . 1 5 5 LYS HB2 H 1 1.577 0.009 . 1 . . 285 . . 5 LYS HB2 . 52404 1 28 . 1 . 1 5 5 LYS HG2 H 1 1.221 0.013 . 2 . . 280 . . 5 LYS HG2 . 52404 1 29 . 1 . 1 5 5 LYS HG3 H 1 1.153 0.012 . 2 . . 281 . . 5 LYS HG3 . 52404 1 30 . 1 . 1 5 5 LYS HD2 H 1 1.522 0.012 . 1 . . 284 . . 5 LYS HD2 . 52404 1 31 . 1 . 1 5 5 LYS HE2 H 1 2.863 0.008 . 1 . . 283 . . 5 LYS HE2 . 52404 1 32 . 1 . 1 5 5 LYS N N 15 119.479 . . 1 . . 279 . . 5 LYS N . 52404 1 33 . 1 . 1 6 6 TYR H H 1 7.894 0.005 . 1 . . 724 . . 6 TYR H . 52404 1 34 . 1 . 1 6 6 TYR HA H 1 4.430 0.014 . 1 . . 727 . . 6 TYR HA . 52404 1 35 . 1 . 1 6 6 TYR HB2 H 1 2.927 0.01 . 2 . . 725 . . 6 TYR HB2 . 52404 1 36 . 1 . 1 6 6 TYR HB3 H 1 2.862 0.007 . 2 . . 726 . . 6 TYR HB3 . 52404 1 37 . 1 . 1 6 6 TYR HD1 H 1 7.003 0.004 . 1 . . 728 . . 6 TYR HD1 . 52404 1 38 . 1 . 1 6 6 TYR HD2 H 1 7.003 0.004 . 1 . . 728 . . 6 TYR HD2 . 52404 1 39 . 1 . 1 6 6 TYR HE1 H 1 6.719 0.007 . 1 . . 729 . . 6 TYR HE1 . 52404 1 40 . 1 . 1 6 6 TYR HE2 H 1 6.719 0.007 . 1 . . 729 . . 6 TYR HE2 . 52404 1 41 . 1 . 1 6 6 TYR N N 15 120.291 . . 1 . . 1884 . . 6 TYR N . 52404 1 42 . 1 . 1 7 7 ARG H H 1 7.899 0.004 . 1 . . 248 . . 7 ARG H . 52404 1 43 . 1 . 1 7 7 ARG HA H 1 4.155 0.004 . 1 . . 252 . . 7 ARG HA . 52404 1 44 . 1 . 1 7 7 ARG HB2 H 1 1.679 0.007 . 2 . . 251 . . 7 ARG HB2 . 52404 1 45 . 1 . 1 7 7 ARG HB3 H 1 1.587 0.009 . 2 . . 253 . . 7 ARG HB3 . 52404 1 46 . 1 . 1 7 7 ARG HG2 H 1 1.460 0.01 . 1 . . 249 . . 7 ARG HG2 . 52404 1 47 . 1 . 1 7 7 ARG HD2 H 1 3.071 0.008 . 1 . . 250 . . 7 ARG HD2 . 52404 1 48 . 1 . 1 7 7 ARG HE H 1 7.066 0.003 . 1 . . 254 . . 7 ARG HE . 52404 1 49 . 1 . 1 7 7 ARG N N 15 123.404 . . 1 . . 247 . . 7 ARG N . 52404 1 50 . 1 . 1 8 8 ALA H H 1 8.177 0.008 . 1 . . 286 . . 8 ALA H . 52404 1 51 . 1 . 1 8 8 ALA HA H 1 4.237 0.01 . 1 . . 288 . . 8 ALA HA . 52404 1 52 . 1 . 1 8 8 ALA HB1 H 1 1.319 0.006 . 1 . . 289 . . 8 ALA HB1 . 52404 1 53 . 1 . 1 8 8 ALA HB2 H 1 1.319 0.006 . 1 . . 289 . . 8 ALA HB2 . 52404 1 54 . 1 . 1 8 8 ALA HB3 H 1 1.319 0.006 . 1 . . 289 . . 8 ALA HB3 . 52404 1 55 . 1 . 1 8 8 ALA N N 15 125.781 . . 1 . . 287 . . 8 ALA N . 52404 1 56 . 1 . 1 9 9 THR H H 1 8.036 0.01 . 1 . . 261 . . 9 THR H . 52404 1 57 . 1 . 1 9 9 THR HA H 1 4.241 0.013 . 1 . . 264 . . 9 THR HA . 52404 1 58 . 1 . 1 9 9 THR HB H 1 4.141 0.015 . 1 . . 344 . . 9 THR HB . 52404 1 59 . 1 . 1 9 9 THR HG21 H 1 1.127 0.006 . 1 . . 263 . . 9 THR HG21 . 52404 1 60 . 1 . 1 9 9 THR HG22 H 1 1.127 0.006 . 1 . . 263 . . 9 THR HG22 . 52404 1 61 . 1 . 1 9 9 THR HG23 H 1 1.127 0.006 . 1 . . 263 . . 9 THR HG23 . 52404 1 62 . 1 . 1 9 9 THR N N 15 113.011 . . 1 . . 262 . . 9 THR N . 52404 1 63 . 1 . 1 10 10 GLY H H 1 8.272 0.009 . 1 . . 313 . . 10 GLY H . 52404 1 64 . 1 . 1 10 10 GLY HA2 H 1 3.890 0.017 . 1 . . 315 . . 10 GLY HA2 . 52404 1 65 . 1 . 1 10 10 GLY N N 15 111.066 . . 1 . . 314 . . 10 GLY N . 52404 1 66 . 1 . 1 11 11 VAL H H 1 7.919 0.009 . 1 . . 255 . . 11 VAL H . 52404 1 67 . 1 . 1 11 11 VAL HA H 1 4.013 0.011 . 1 . . 257 . . 11 VAL HA . 52404 1 68 . 1 . 1 11 11 VAL HB H 1 1.913 0.004 . 1 . . 256 . . 11 VAL HB . 52404 1 69 . 1 . 1 11 11 VAL HG11 H 1 0.780 0.006 . 2 . . 258 . . 11 VAL HG11 . 52404 1 70 . 1 . 1 11 11 VAL HG12 H 1 0.780 0.006 . 2 . . 258 . . 11 VAL HG12 . 52404 1 71 . 1 . 1 11 11 VAL HG13 H 1 0.780 0.006 . 2 . . 258 . . 11 VAL HG13 . 52404 1 72 . 1 . 1 11 11 VAL HG21 H 1 0.810 0.003 . 2 . . 259 . . 11 VAL HG21 . 52404 1 73 . 1 . 1 11 11 VAL HG22 H 1 0.810 0.003 . 2 . . 259 . . 11 VAL HG22 . 52404 1 74 . 1 . 1 11 11 VAL HG23 H 1 0.810 0.003 . 2 . . 259 . . 11 VAL HG23 . 52404 1 75 . 1 . 1 11 11 VAL N N 15 120.033 . . 1 . . 260 . . 11 VAL N . 52404 1 76 . 1 . 1 12 12 VAL H H 1 8.223 0.015 . 1 . . 290 . . 12 VAL H . 52404 1 77 . 1 . 1 12 12 VAL HA H 1 4.318 0.004 . 1 . . 292 . . 12 VAL HA . 52404 1 78 . 1 . 1 12 12 VAL HB H 1 1.964 0.005 . 1 . . 293 . . 12 VAL HB . 52404 1 79 . 1 . 1 12 12 VAL HG11 H 1 0.871 0.004 . 2 . . 294 . . 12 VAL HG11 . 52404 1 80 . 1 . 1 12 12 VAL HG12 H 1 0.871 0.004 . 2 . . 294 . . 12 VAL HG12 . 52404 1 81 . 1 . 1 12 12 VAL HG13 H 1 0.871 0.004 . 2 . . 294 . . 12 VAL HG13 . 52404 1 82 . 1 . 1 12 12 VAL HG21 H 1 0.842 0.011 . 2 . . 295 . . 12 VAL HG21 . 52404 1 83 . 1 . 1 12 12 VAL HG22 H 1 0.842 0.011 . 2 . . 295 . . 12 VAL HG22 . 52404 1 84 . 1 . 1 12 12 VAL HG23 H 1 0.842 0.011 . 2 . . 295 . . 12 VAL HG23 . 52404 1 85 . 1 . 1 12 12 VAL N N 15 126.864 . . 1 . . 291 . . 12 VAL N . 52404 1 86 . 1 . 1 13 13 PRO HA H 1 4.293 0.007 . 1 . . 319 . . 13 PRO HA . 52404 1 87 . 1 . 1 13 13 PRO HB2 H 1 1.936 0.008 . 2 . . 322 . . 13 PRO HB2 . 52404 1 88 . 1 . 1 13 13 PRO HB3 H 1 2.185 0.004 . 2 . . 323 . . 13 PRO HB3 . 52404 1 89 . 1 . 1 13 13 PRO HG2 H 1 1.863 0.007 . 2 . . 324 . . 13 PRO HG2 . 52404 1 90 . 1 . 1 13 13 PRO HG3 H 1 1.787 0.01 . 2 . . 325 . . 13 PRO HG3 . 52404 1 91 . 1 . 1 13 13 PRO HD2 H 1 3.588 0.007 . 2 . . 320 . . 13 PRO HD2 . 52404 1 92 . 1 . 1 13 13 PRO HD3 H 1 3.800 0.014 . 2 . . 321 . . 13 PRO HD3 . 52404 1 93 . 1 . 1 14 14 LYS H H 1 8.245 0.006 . 1 . . 337 . . 14 LYS H . 52404 1 94 . 1 . 1 14 14 LYS HA H 1 4.160 0.006 . 1 . . 339 . . 14 LYS HA . 52404 1 95 . 1 . 1 14 14 LYS HB2 H 1 1.710 0.009 . 2 . . 345 . . 14 LYS HB2 . 52404 1 96 . 1 . 1 14 14 LYS HB3 H 1 1.667 0.007 . 2 . . 346 . . 14 LYS HB3 . 52404 1 97 . 1 . 1 14 14 LYS HG2 H 1 1.378 0.014 . 1 . . 341 . . 14 LYS HG2 . 52404 1 98 . 1 . 1 14 14 LYS HD2 H 1 1.589 0.015 . 1 . . 340 . . 14 LYS HD2 . 52404 1 99 . 1 . 1 14 14 LYS HE2 H 1 2.912 0.008 . 1 . . 343 . . 14 LYS HE2 . 52404 1 100 . 1 . 1 14 14 LYS N N 15 121.831 . . 1 . . 338 . . 14 LYS N . 52404 1 101 . 1 . 1 15 15 ALA H H 1 8.311 0.014 . 1 . . 303 . . 15 ALA H . 52404 1 102 . 1 . 1 15 15 ALA HA H 1 4.288 0.012 . 1 . . 305 . . 15 ALA HA . 52404 1 103 . 1 . 1 15 15 ALA HB1 H 1 1.306 0.014 . 1 . . 306 . . 15 ALA HB1 . 52404 1 104 . 1 . 1 15 15 ALA HB2 H 1 1.306 0.014 . 1 . . 306 . . 15 ALA HB2 . 52404 1 105 . 1 . 1 15 15 ALA HB3 H 1 1.306 0.014 . 1 . . 306 . . 15 ALA HB3 . 52404 1 106 . 1 . 1 15 15 ALA N N 15 125.739 . . 1 . . 304 . . 15 ALA N . 52404 1 107 . 1 . 1 16 16 THR H H 1 8.137 0.015 . 1 . . 265 . . 16 THR H . 52404 1 108 . 1 . 1 16 16 THR HA H 1 4.264 0.011 . 1 . . 267 . . 16 THR HA . 52404 1 109 . 1 . 1 16 16 THR HB H 1 4.161 0.006 . 1 . . 268 . . 16 THR HB . 52404 1 110 . 1 . 1 16 16 THR HG21 H 1 1.117 0.01 . 1 . . 269 . . 16 THR HG21 . 52404 1 111 . 1 . 1 16 16 THR HG22 H 1 1.117 0.01 . 1 . . 269 . . 16 THR HG22 . 52404 1 112 . 1 . 1 16 16 THR HG23 H 1 1.117 0.01 . 1 . . 269 . . 16 THR HG23 . 52404 1 113 . 1 . 1 16 16 THR N N 15 113.382 . . 1 . . 266 . . 16 THR N . 52404 1 114 . 1 . 1 17 17 CYS H H 1 8.260 0.011 . 1 . . 316 . . 17 CYS H . 52404 1 115 . 1 . 1 17 17 CYS HA H 1 4.466 0.02 . 1 . . 318 . . 17 CYS HA . 52404 1 116 . 1 . 1 17 17 CYS HB2 H 1 2.871 0.005 . 1 . . 326 . . 17 CYS HB2 . 52404 1 117 . 1 . 1 17 17 CYS N N 15 121.019 . . 1 . . 317 . . 17 CYS N . 52404 1 118 . 1 . 1 18 18 GLY H H 1 8.403 0.012 . 1 . . 307 . . 18 GLY H . 52404 1 119 . 1 . 1 18 18 GLY HA2 H 1 3.852 0.009 . 1 . . 309 . . 18 GLY HA2 . 52404 1 120 . 1 . 1 18 18 GLY N N 15 111.212 . . 1 . . 308 . . 18 GLY N . 52404 1 121 . 1 . 1 19 19 CYS H H 1 8.055 0.009 . 1 . . 270 . . 19 CYS H . 52404 1 122 . 1 . 1 19 19 CYS HA H 1 4.349 0.006 . 1 . . 272 . . 19 CYS HA . 52404 1 123 . 1 . 1 19 19 CYS HB2 H 1 2.706 0.016 . 1 . . 273 . . 19 CYS HB2 . 52404 1 124 . 1 . 1 19 19 CYS N N 15 118.795 . . 1 . . 271 . . 19 CYS N . 52404 1 125 . 1 . 1 20 20 PHE H H 1 8.233 0.014 . 1 . . 333 . . 20 PHE H . 52404 1 126 . 1 . 1 20 20 PHE HA H 1 4.545 0.015 . 1 . . 334 . . 20 PHE HA . 52404 1 127 . 1 . 1 20 20 PHE HB2 H 1 2.908 0.01 . 2 . . 335 . . 20 PHE HB2 . 52404 1 128 . 1 . 1 20 20 PHE HB3 H 1 3.128 0.009 . 2 . . 336 . . 20 PHE HB3 . 52404 1 129 . 1 . 1 20 20 PHE HD1 H 1 7.195 0.018 . 1 . . 717 . . 20 PHE HD1 . 52404 1 130 . 1 . 1 20 20 PHE HD2 H 1 7.195 0.018 . 1 . . 717 . . 20 PHE HD2 . 52404 1 131 . 1 . 1 20 20 PHE HE1 H 1 7.262 0.013 . 1 . . 715 . . 20 PHE HE1 . 52404 1 132 . 1 . 1 20 20 PHE HE2 H 1 7.262 0.013 . 1 . . 715 . . 20 PHE HE2 . 52404 1 133 . 1 . 1 20 20 PHE N N 15 123.020 . . 1 . . 342 . . 20 PHE N . 52404 1 stop_ save_