data_51841 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51841 _Entry.Title ; 1H, 13C and 15N resonance assignments of four MEF2D b-domain peptide constructs (var3) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-02-18 _Entry.Accession_date 2023-02-18 _Entry.Last_release_date 2023-02-20 _Entry.Original_release_date 2023-02-20 _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 . _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 'Tamas Milan' Nagy . . . 0000-0003-4766-1992 51841 2 Krisztina Feher . . . 0000-0003-0951-2507 51841 3 Katalin Kover . E. . 0000-0001-5020-4456 51841 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51841 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 77 51841 '15N chemical shifts' 4 51841 '1H chemical shifts' 221 51841 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 . . 2023-05-07 2023-02-18 update BMRB 'update entry citation' 51841 1 . . 2023-02-21 2023-02-18 original author 'original release' 51841 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51840 'MEF2D b-domain peptide constructs (wild type)' 51841 BMRB 51842 'MEF2D b-domain peptide constructs (var4)' 51841 BMRB 51843 'MEF2D b-domain peptide constructs (var8)' 51841 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51841 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36898987 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Alternatively spliced exon regulates context-dependent MEF2D higher-order assembly during myogenesis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 14 _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 1329 _Citation.Page_last 1329 _Citation.Year 2023 _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 Monika Gonczi . . . . 51841 1 2 Joao Teixeira . M.C. . . 51841 1 3 Susana Barrera-Vilarmau . . . . 51841 1 4 Laura Mediani . . . . 51841 1 5 Francesco Antoniani . . . . 51841 1 6 'Tamas Milan' Nagy . . . . 51841 1 7 Krisztina Feher . . . . 51841 1 8 Zsolt Raduly . . . . 51841 1 9 Viktor Ambrus . . . . 51841 1 10 Jozsef Tozser . . . . 51841 1 11 Endre Barta . . . . 51841 1 12 Katalin Kover . E. . . 51841 1 13 Laszlo Csernoch . . . . 51841 1 14 Serena Carra . . . . 51841 1 15 Monika Fuxreiter . . . . 51841 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51841 _Assembly.ID 1 _Assembly.Name 'MEF2D wild-type construct' _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 . _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 'MEF2D var3' 1 $entity_1 . . yes native no no . . . 51841 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51841 _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 ; SRKPDLRVITSQAGKGLMHH LTEDHLDKNNAQRAGVS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites yes _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 37 _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 . SER . 51841 1 2 . ARG . 51841 1 3 . LYS . 51841 1 4 . PRO . 51841 1 5 . ASP . 51841 1 6 . LEU . 51841 1 7 . ARG . 51841 1 8 . VAL . 51841 1 9 . ILE . 51841 1 10 . THR . 51841 1 11 . SER . 51841 1 12 . GLN . 51841 1 13 . ALA . 51841 1 14 . GLY . 51841 1 15 . LYS . 51841 1 16 . GLY . 51841 1 17 . LEU . 51841 1 18 . MET . 51841 1 19 . HIS . 51841 1 20 . HIS . 51841 1 21 . LEU . 51841 1 22 . THR . 51841 1 23 . GLU . 51841 1 24 . ASP . 51841 1 25 . HIS . 51841 1 26 . LEU . 51841 1 27 . ASP . 51841 1 28 . LYS . 51841 1 29 . ASN . 51841 1 30 . ASN . 51841 1 31 . ALA . 51841 1 32 . GLN . 51841 1 33 . ARG . 51841 1 34 . ALA . 51841 1 35 . GLY . 51841 1 36 . VAL . 51841 1 37 . SER . 51841 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 . SER 1 1 51841 1 . ARG 2 2 51841 1 . LYS 3 3 51841 1 . PRO 4 4 51841 1 . ASP 5 5 51841 1 . LEU 6 6 51841 1 . ARG 7 7 51841 1 . VAL 8 8 51841 1 . ILE 9 9 51841 1 . THR 10 10 51841 1 . SER 11 11 51841 1 . GLN 12 12 51841 1 . ALA 13 13 51841 1 . GLY 14 14 51841 1 . LYS 15 15 51841 1 . GLY 16 16 51841 1 . LEU 17 17 51841 1 . MET 18 18 51841 1 . HIS 19 19 51841 1 . HIS 20 20 51841 1 . LEU 21 21 51841 1 . THR 22 22 51841 1 . GLU 23 23 51841 1 . ASP 24 24 51841 1 . HIS 25 25 51841 1 . LEU 26 26 51841 1 . ASP 27 27 51841 1 . LYS 28 28 51841 1 . ASN 29 29 51841 1 . ASN 30 30 51841 1 . ALA 31 31 51841 1 . GLN 32 32 51841 1 . ARG 33 33 51841 1 . ALA 34 34 51841 1 . GLY 35 35 51841 1 . VAL 36 36 51841 1 . SER 37 37 51841 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 51841 _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 . . 'not applicable' . . . . . . . . . . . . . . . . . . . . . . 51841 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 51841 _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' . . . . . . . . . . . . . . . . 51841 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51841 _Sample.ID 1 _Sample.Name 'MEF2D var3' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 'MEF2D construct var3' [U-15N]-Leu . . 1 $entity_1 . . 1 . . mM . . . . 51841 1 2 DSS 'natural abundance' . . . . . . 8 . . ug . . . . 51841 1 3 Na2HPO4/NaH2PO4 'natural abundance' . . . . . . 20 . . mM . . . . 51841 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 51841 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 51841 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'MEF2D solution' _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 pH 6 . pH 51841 1 pressure 1 . atm 51841 1 temperature 298 . K 51841 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51841 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data collection and analysis' . 51841 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51841 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version 1.9 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51841 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 51841 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance Neo 700 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 51841 _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-1H TOCSY' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51841 1 2 '2D 1H-1H ROESY' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51841 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51841 1 4 '2D 1H-13C HSQC-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51841 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51841 1 6 '2D 1H-15N HSQC-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51841 1 7 '2D 1H-15N HSQC-ROESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51841 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 51841 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'MEF2D references' _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 carbons' . . . . ppm 0 internal indirect 0.251449530 . . . . . 51841 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51841 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0 external indirect 0.101329118 . . . . . 51841 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 51841 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'MEF2D var3' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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-1H TOCSY' . . . 51841 1 2 '2D 1H-1H ROESY' . . . 51841 1 3 '2D 1H-13C HSQC' . . . 51841 1 4 '2D 1H-13C HSQC-TOCSY' . . . 51841 1 5 '2D 1H-15N HSQC' . . . 51841 1 6 '2D 1H-15N HSQC-TOCSY' . . . 51841 1 7 '2D 1H-15N HSQC-ROESY' . . . 51841 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 . . 51841 1 2 $software_2 . . 51841 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 SER HA H 1 4.185 0.020 . 1 . . . . . 1 SER HA . 51841 1 2 . 1 . 1 1 1 SER HB2 H 1 3.998 0.020 . 2 . . . . . 1 SER HB2 . 51841 1 3 . 1 . 1 1 1 SER HB3 H 1 3.948 0.020 . 2 . . . . . 1 SER HB3 . 51841 1 4 . 1 . 1 1 1 SER CA C 13 54.722 0.3 . 1 . . . . . 1 SER CA . 51841 1 5 . 1 . 1 1 1 SER CB C 13 60.543 0.3 . 1 . . . . . 1 SER CB . 51841 1 6 . 1 . 1 2 2 ARG H H 1 8.729 0.020 . 1 . . . . . 2 ARG H . 51841 1 7 . 1 . 1 2 2 ARG HA H 1 4.394 0.020 . 1 . . . . . 2 ARG HA . 51841 1 8 . 1 . 1 2 2 ARG HB2 H 1 1.807 0.020 . 2 . . . . . 2 ARG HB2 . 51841 1 9 . 1 . 1 2 2 ARG HB3 H 1 1.762 0.020 . 2 . . . . . 2 ARG HB3 . 51841 1 10 . 1 . 1 2 2 ARG HG2 H 1 1.626 0.020 . 1 . . . . . 2 ARG HG2 . 51841 1 11 . 1 . 1 2 2 ARG HG3 H 1 1.626 0.020 . 1 . . . . . 2 ARG HG3 . 51841 1 12 . 1 . 1 2 2 ARG HD2 H 1 3.194 0.020 . 1 . . . . . 2 ARG HD2 . 51841 1 13 . 1 . 1 2 2 ARG HD3 H 1 3.194 0.020 . 1 . . . . . 2 ARG HD3 . 51841 1 14 . 1 . 1 2 2 ARG HE H 1 7.210 0.020 . 1 . . . . . 2 ARG HE . 51841 1 15 . 1 . 1 2 2 ARG CA C 13 53.515 0.3 . 1 . . . . . 2 ARG CA . 51841 1 16 . 1 . 1 2 2 ARG CB C 13 28.429 0.3 . 1 . . . . . 2 ARG CB . 51841 1 17 . 1 . 1 3 3 LYS H H 1 8.549 0.020 . 1 . . . . . 3 LYS H . 51841 1 18 . 1 . 1 3 3 LYS HA H 1 4.565 0.020 . 1 . . . . . 3 LYS HA . 51841 1 19 . 1 . 1 3 3 LYS HB2 H 1 1.844 0.020 . 2 . . . . . 3 LYS HB2 . 51841 1 20 . 1 . 1 3 3 LYS HB3 H 1 1.716 0.020 . 2 . . . . . 3 LYS HB3 . 51841 1 21 . 1 . 1 3 3 LYS HG2 H 1 1.482 0.020 . 1 . . . . . 3 LYS HG2 . 51841 1 22 . 1 . 1 3 3 LYS HG3 H 1 1.482 0.020 . 1 . . . . . 3 LYS HG3 . 51841 1 23 . 1 . 1 3 3 LYS HE2 H 1 3.015 0.020 . 1 . . . . . 3 LYS HE2 . 51841 1 24 . 1 . 1 3 3 LYS HE3 H 1 3.015 0.020 . 1 . . . . . 3 LYS HE3 . 51841 1 25 . 1 . 1 3 3 LYS CA C 13 51.855 0.3 . 1 . . . . . 3 LYS CA . 51841 1 26 . 1 . 1 3 3 LYS CB C 13 29.730 0.3 . 1 . . . . . 3 LYS CB . 51841 1 27 . 1 . 1 4 4 PRO HA H 1 4.399 0.020 . 1 . . . . . 4 PRO HA . 51841 1 28 . 1 . 1 4 4 PRO CA C 13 60.534 0.3 . 1 . . . . . 4 PRO CA . 51841 1 29 . 1 . 1 4 4 PRO CB C 13 29.504 0.3 . 1 . . . . . 4 PRO CB . 51841 1 30 . 1 . 1 4 4 PRO CD C 13 48.030 0.3 . 1 . . . . . 4 PRO CD . 51841 1 31 . 1 . 1 5 5 ASP H H 1 8.426 0.020 . 1 . . . . . 5 ASP H . 51841 1 32 . 1 . 1 5 5 ASP HA H 1 4.580 0.020 . 1 . . . . . 5 ASP HA . 51841 1 33 . 1 . 1 5 5 ASP HB2 H 1 2.748 0.020 . 2 . . . . . 5 ASP HB2 . 51841 1 34 . 1 . 1 5 5 ASP HB3 H 1 2.593 0.020 . 2 . . . . . 5 ASP HB3 . 51841 1 35 . 1 . 1 5 5 ASP CA C 13 51.320 0.3 . 1 . . . . . 5 ASP CA . 51841 1 36 . 1 . 1 5 5 ASP CB C 13 38.323 0.3 . 1 . . . . . 5 ASP CB . 51841 1 37 . 1 . 1 6 6 LEU H H 1 8.260 0.020 . 1 . . . . . 6 LEU H . 51841 1 38 . 1 . 1 6 6 LEU HA H 1 4.286 0.020 . 1 . . . . . 6 LEU HA . 51841 1 39 . 1 . 1 6 6 LEU HB2 H 1 1.614 0.020 . 1 . . . . . 6 LEU HB2 . 51841 1 40 . 1 . 1 6 6 LEU HB3 H 1 1.614 0.020 . 1 . . . . . 6 LEU HB3 . 51841 1 41 . 1 . 1 6 6 LEU HD11 H 1 0.914 0.020 . 2 . . . . . 6 LEU HD1 . 51841 1 42 . 1 . 1 6 6 LEU HD12 H 1 0.914 0.020 . 2 . . . . . 6 LEU HD1 . 51841 1 43 . 1 . 1 6 6 LEU HD13 H 1 0.914 0.020 . 2 . . . . . 6 LEU HD1 . 51841 1 44 . 1 . 1 6 6 LEU HD21 H 1 0.849 0.020 . 2 . . . . . 6 LEU HD2 . 51841 1 45 . 1 . 1 6 6 LEU HD22 H 1 0.849 0.020 . 2 . . . . . 6 LEU HD2 . 51841 1 46 . 1 . 1 6 6 LEU HD23 H 1 0.849 0.020 . 2 . . . . . 6 LEU HD2 . 51841 1 47 . 1 . 1 6 6 LEU CA C 13 52.669 0.3 . 1 . . . . . 6 LEU CA . 51841 1 48 . 1 . 1 6 6 LEU CB C 13 39.535 0.3 . 1 . . . . . 6 LEU CB . 51841 1 49 . 1 . 1 6 6 LEU N N 15 123.776 0.3 . 1 . . . . . 6 LEU N . 51841 1 50 . 1 . 1 7 7 ARG H H 1 8.323 0.020 . 1 . . . . . 7 ARG H . 51841 1 51 . 1 . 1 7 7 ARG HA H 1 4.255 0.020 . 1 . . . . . 7 ARG HA . 51841 1 52 . 1 . 1 7 7 ARG HB2 H 1 1.646 0.020 . 2 . . . . . 7 ARG HB2 . 51841 1 53 . 1 . 1 7 7 ARG HB3 H 1 1.582 0.020 . 2 . . . . . 7 ARG HB3 . 51841 1 54 . 1 . 1 7 7 ARG HG2 H 1 1.797 0.020 . 1 . . . . . 7 ARG HG2 . 51841 1 55 . 1 . 1 7 7 ARG HG3 H 1 1.797 0.020 . 1 . . . . . 7 ARG HG3 . 51841 1 56 . 1 . 1 7 7 ARG HD2 H 1 3.191 0.020 . 1 . . . . . 7 ARG HD2 . 51841 1 57 . 1 . 1 7 7 ARG HD3 H 1 3.191 0.020 . 1 . . . . . 7 ARG HD3 . 51841 1 58 . 1 . 1 7 7 ARG HE H 1 7.400 0.020 . 1 . . . . . 7 ARG HE . 51841 1 59 . 1 . 1 7 7 ARG CA C 13 54.160 0.3 . 1 . . . . . 7 ARG CA . 51841 1 60 . 1 . 1 7 7 ARG CB C 13 27.940 0.3 . 1 . . . . . 7 ARG CB . 51841 1 61 . 1 . 1 8 8 VAL H H 1 8.093 0.020 . 1 . . . . . 8 VAL H . 51841 1 62 . 1 . 1 8 8 VAL HA H 1 4.067 0.020 . 1 . . . . . 8 VAL HA . 51841 1 63 . 1 . 1 8 8 VAL HB H 1 2.029 0.020 . 1 . . . . . 8 VAL HB . 51841 1 64 . 1 . 1 8 8 VAL HG11 H 1 0.905 0.020 . 1 . . . . . 8 VAL HG1 . 51841 1 65 . 1 . 1 8 8 VAL HG12 H 1 0.905 0.020 . 1 . . . . . 8 VAL HG1 . 51841 1 66 . 1 . 1 8 8 VAL HG13 H 1 0.905 0.020 . 1 . . . . . 8 VAL HG1 . 51841 1 67 . 1 . 1 8 8 VAL HG21 H 1 0.905 0.020 . 1 . . . . . 8 VAL HG2 . 51841 1 68 . 1 . 1 8 8 VAL HG22 H 1 0.905 0.020 . 1 . . . . . 8 VAL HG2 . 51841 1 69 . 1 . 1 8 8 VAL HG23 H 1 0.905 0.020 . 1 . . . . . 8 VAL HG2 . 51841 1 70 . 1 . 1 8 8 VAL CA C 13 59.907 0.3 . 1 . . . . . 8 VAL CA . 51841 1 71 . 1 . 1 8 8 VAL CB C 13 30.054 0.3 . 1 . . . . . 8 VAL CB . 51841 1 72 . 1 . 1 9 9 ILE H H 1 8.305 0.020 . 1 . . . . . 9 ILE H . 51841 1 73 . 1 . 1 9 9 ILE HA H 1 4.229 0.020 . 1 . . . . . 9 ILE HA . 51841 1 74 . 1 . 1 9 9 ILE HB H 1 1.880 0.020 . 1 . . . . . 9 ILE HB . 51841 1 75 . 1 . 1 9 9 ILE HD11 H 1 0.899 0.020 . 1 . . . . . 9 ILE HD1 . 51841 1 76 . 1 . 1 9 9 ILE HD12 H 1 0.899 0.020 . 1 . . . . . 9 ILE HD1 . 51841 1 77 . 1 . 1 9 9 ILE HD13 H 1 0.899 0.020 . 1 . . . . . 9 ILE HD1 . 51841 1 78 . 1 . 1 9 9 ILE CA C 13 58.535 0.3 . 1 . . . . . 9 ILE CA . 51841 1 79 . 1 . 1 9 9 ILE CB C 13 35.887 0.3 . 1 . . . . . 9 ILE CB . 51841 1 80 . 1 . 1 10 10 THR H H 1 8.239 0.020 . 1 . . . . . 10 THR H . 51841 1 81 . 1 . 1 10 10 THR HA H 1 4.366 0.020 . 1 . . . . . 10 THR HA . 51841 1 82 . 1 . 1 10 10 THR HB H 1 4.228 0.020 . 1 . . . . . 10 THR HB . 51841 1 83 . 1 . 1 10 10 THR HG21 H 1 1.194 0.020 . 1 . . . . . 10 THR HG2 . 51841 1 84 . 1 . 1 10 10 THR HG22 H 1 1.194 0.020 . 1 . . . . . 10 THR HG2 . 51841 1 85 . 1 . 1 10 10 THR HG23 H 1 1.194 0.020 . 1 . . . . . 10 THR HG2 . 51841 1 86 . 1 . 1 10 10 THR CA C 13 59.316 0.3 . 1 . . . . . 10 THR CA . 51841 1 87 . 1 . 1 10 10 THR CB C 13 67.216 0.3 . 1 . . . . . 10 THR CB . 51841 1 88 . 1 . 1 11 11 SER H H 1 8.303 0.020 . 1 . . . . . 11 SER H . 51841 1 89 . 1 . 1 11 11 SER HA H 1 4.450 0.020 . 1 . . . . . 11 SER HA . 51841 1 90 . 1 . 1 11 11 SER HB2 H 1 3.916 0.020 . 2 . . . . . 11 SER HB2 . 51841 1 91 . 1 . 1 11 11 SER HB3 H 1 3.848 0.020 . 2 . . . . . 11 SER HB3 . 51841 1 92 . 1 . 1 11 11 SER CA C 13 55.882 0.3 . 1 . . . . . 11 SER CA . 51841 1 93 . 1 . 1 11 11 SER CB C 13 61.225 0.3 . 1 . . . . . 11 SER CB . 51841 1 94 . 1 . 1 12 12 GLN H H 1 8.441 0.020 . 1 . . . . . 12 GLN H . 51841 1 95 . 1 . 1 12 12 GLN HA H 1 4.322 0.020 . 1 . . . . . 12 GLN HA . 51841 1 96 . 1 . 1 12 12 GLN HB2 H 1 2.132 0.020 . 2 . . . . . 12 GLN HB2 . 51841 1 97 . 1 . 1 12 12 GLN HB3 H 1 1.961 0.020 . 2 . . . . . 12 GLN HB3 . 51841 1 98 . 1 . 1 12 12 GLN HG2 H 1 2.363 0.020 . 1 . . . . . 12 GLN HG2 . 51841 1 99 . 1 . 1 12 12 GLN HG3 H 1 2.363 0.020 . 1 . . . . . 12 GLN HG3 . 51841 1 100 . 1 . 1 12 12 GLN HE21 H 1 7.537 0.020 . 1 . . . . . 12 GLN HE21 . 51841 1 101 . 1 . 1 12 12 GLN HE22 H 1 6.842 0.020 . 1 . . . . . 12 GLN HE22 . 51841 1 102 . 1 . 1 12 12 GLN CA C 13 53.353 0.3 . 1 . . . . . 12 GLN CA . 51841 1 103 . 1 . 1 12 12 GLN CB C 13 26.684 0.3 . 1 . . . . . 12 GLN CB . 51841 1 104 . 1 . 1 13 13 ALA H H 1 8.276 0.020 . 1 . . . . . 13 ALA H . 51841 1 105 . 1 . 1 13 13 ALA HA H 1 4.295 0.020 . 1 . . . . . 13 ALA HA . 51841 1 106 . 1 . 1 13 13 ALA HB1 H 1 1.398 0.020 . 1 . . . . . 13 ALA HB . 51841 1 107 . 1 . 1 13 13 ALA HB2 H 1 1.398 0.020 . 1 . . . . . 13 ALA HB . 51841 1 108 . 1 . 1 13 13 ALA HB3 H 1 1.398 0.020 . 1 . . . . . 13 ALA HB . 51841 1 109 . 1 . 1 13 13 ALA CA C 13 50.280 0.3 . 1 . . . . . 13 ALA CA . 51841 1 110 . 1 . 1 13 13 ALA CB C 13 16.481 0.3 . 1 . . . . . 13 ALA CB . 51841 1 111 . 1 . 1 14 14 GLY H H 1 8.384 0.020 . 1 . . . . . 14 GLY H . 51841 1 112 . 1 . 1 14 14 GLY HA2 H 1 3.941 0.020 . 1 . . . . . 14 GLY HA2 . 51841 1 113 . 1 . 1 14 14 GLY HA3 H 1 3.941 0.020 . 1 . . . . . 14 GLY HA3 . 51841 1 114 . 1 . 1 14 14 GLY CA C 13 42.912 0.3 . 1 . . . . . 14 GLY CA . 51841 1 115 . 1 . 1 15 15 LYS H H 1 8.149 0.020 . 1 . . . . . 15 LYS H . 51841 1 116 . 1 . 1 15 15 LYS HA H 1 4.313 0.020 . 1 . . . . . 15 LYS HA . 51841 1 117 . 1 . 1 15 15 LYS HB2 H 1 1.863 0.020 . 2 . . . . . 15 LYS HB2 . 51841 1 118 . 1 . 1 15 15 LYS HB3 H 1 1.760 0.020 . 2 . . . . . 15 LYS HB3 . 51841 1 119 . 1 . 1 15 15 LYS HG2 H 1 1.465 0.020 . 2 . . . . . 15 LYS HG2 . 51841 1 120 . 1 . 1 15 15 LYS HG3 H 1 1.386 0.020 . 2 . . . . . 15 LYS HG3 . 51841 1 121 . 1 . 1 15 15 LYS HD2 H 1 1.662 0.020 . 1 . . . . . 15 LYS HD2 . 51841 1 122 . 1 . 1 15 15 LYS HD3 H 1 1.662 0.020 . 1 . . . . . 15 LYS HD3 . 51841 1 123 . 1 . 1 15 15 LYS HE2 H 1 2.978 0.020 . 1 . . . . . 15 LYS HE2 . 51841 1 124 . 1 . 1 15 15 LYS HE3 H 1 2.978 0.020 . 1 . . . . . 15 LYS HE3 . 51841 1 125 . 1 . 1 15 15 LYS CA C 13 53.966 0.3 . 1 . . . . . 15 LYS CA . 51841 1 126 . 1 . 1 15 15 LYS CB C 13 30.350 0.3 . 1 . . . . . 15 LYS CB . 51841 1 127 . 1 . 1 16 16 GLY H H 1 8.453 0.020 . 1 . . . . . 16 GLY H . 51841 1 128 . 1 . 1 16 16 GLY HA2 H 1 3.926 0.020 . 1 . . . . . 16 GLY HA2 . 51841 1 129 . 1 . 1 16 16 GLY HA3 H 1 3.926 0.020 . 1 . . . . . 16 GLY HA3 . 51841 1 130 . 1 . 1 16 16 GLY CA C 13 42.814 0.3 . 1 . . . . . 16 GLY CA . 51841 1 131 . 1 . 1 17 17 LEU H H 1 8.043 0.020 . 1 . . . . . 17 LEU H . 51841 1 132 . 1 . 1 17 17 LEU HA H 1 4.294 0.020 . 1 . . . . . 17 LEU HA . 51841 1 133 . 1 . 1 17 17 LEU HB2 H 1 1.592 0.020 . 1 . . . . . 17 LEU HB2 . 51841 1 134 . 1 . 1 17 17 LEU HB3 H 1 1.592 0.020 . 1 . . . . . 17 LEU HB3 . 51841 1 135 . 1 . 1 17 17 LEU HG H 1 1.536 0.020 . 1 . . . . . 17 LEU HG . 51841 1 136 . 1 . 1 17 17 LEU HD11 H 1 0.889 0.020 . 2 . . . . . 17 LEU HD1 . 51841 1 137 . 1 . 1 17 17 LEU HD12 H 1 0.889 0.020 . 2 . . . . . 17 LEU HD1 . 51841 1 138 . 1 . 1 17 17 LEU HD13 H 1 0.889 0.020 . 2 . . . . . 17 LEU HD1 . 51841 1 139 . 1 . 1 17 17 LEU HD21 H 1 0.843 0.020 . 2 . . . . . 17 LEU HD2 . 51841 1 140 . 1 . 1 17 17 LEU HD22 H 1 0.843 0.020 . 2 . . . . . 17 LEU HD2 . 51841 1 141 . 1 . 1 17 17 LEU HD23 H 1 0.843 0.020 . 2 . . . . . 17 LEU HD2 . 51841 1 142 . 1 . 1 17 17 LEU CA C 13 52.653 0.3 . 1 . . . . . 17 LEU CA . 51841 1 143 . 1 . 1 17 17 LEU CB C 13 39.727 0.3 . 1 . . . . . 17 LEU CB . 51841 1 144 . 1 . 1 17 17 LEU N N 15 121.390 0.3 . 1 . . . . . 17 LEU N . 51841 1 145 . 1 . 1 18 18 MET H H 1 8.290 0.020 . 1 . . . . . 18 MET H . 51841 1 146 . 1 . 1 18 18 MET HA H 1 4.377 0.020 . 1 . . . . . 18 MET HA . 51841 1 147 . 1 . 1 18 18 MET HB2 H 1 1.945 0.020 . 1 . . . . . 18 MET HB2 . 51841 1 148 . 1 . 1 18 18 MET HB3 H 1 1.945 0.020 . 1 . . . . . 18 MET HB3 . 51841 1 149 . 1 . 1 18 18 MET HG2 H 1 2.525 0.020 . 2 . . . . . 18 MET HG2 . 51841 1 150 . 1 . 1 18 18 MET HG3 H 1 2.446 0.020 . 2 . . . . . 18 MET HG3 . 51841 1 151 . 1 . 1 18 18 MET CA C 13 52.683 0.3 . 1 . . . . . 18 MET CA . 51841 1 152 . 1 . 1 18 18 MET CB C 13 30.091 0.3 . 1 . . . . . 18 MET CB . 51841 1 153 . 1 . 1 19 19 HIS H H 1 8.435 0.020 . 1 . . . . . 19 HIS H . 51841 1 154 . 1 . 1 19 19 HIS HA H 1 4.658 0.020 . 1 . . . . . 19 HIS HA . 51841 1 155 . 1 . 1 19 19 HIS HB2 H 1 3.216 0.020 . 2 . . . . . 19 HIS HB2 . 51841 1 156 . 1 . 1 19 19 HIS HB3 H 1 3.121 0.020 . 2 . . . . . 19 HIS HB3 . 51841 1 157 . 1 . 1 19 19 HIS CA C 13 52.541 0.3 . 1 . . . . . 19 HIS CA . 51841 1 158 . 1 . 1 19 19 HIS CB C 13 26.471 0.3 . 1 . . . . . 19 HIS CB . 51841 1 159 . 1 . 1 20 20 HIS H H 1 8.604 0.020 . 1 . . . . . 20 HIS H . 51841 1 160 . 1 . 1 20 20 HIS HA H 1 4.698 0.020 . 1 . . . . . 20 HIS HA . 51841 1 161 . 1 . 1 20 20 HIS HB2 H 1 3.265 0.020 . 2 . . . . . 20 HIS HB2 . 51841 1 162 . 1 . 1 20 20 HIS HB3 H 1 3.152 0.020 . 2 . . . . . 20 HIS HB3 . 51841 1 163 . 1 . 1 20 20 HIS CA C 13 52.752 0.3 . 1 . . . . . 20 HIS CA . 51841 1 164 . 1 . 1 20 20 HIS CB C 13 26.561 0.3 . 1 . . . . . 20 HIS CB . 51841 1 165 . 1 . 1 21 21 LEU H H 1 8.493 0.020 . 1 . . . . . 21 LEU H . 51841 1 166 . 1 . 1 21 21 LEU HA H 1 4.385 0.020 . 1 . . . . . 21 LEU HA . 51841 1 167 . 1 . 1 21 21 LEU HB2 H 1 1.653 0.020 . 2 . . . . . 21 LEU HB2 . 51841 1 168 . 1 . 1 21 21 LEU HB3 H 1 1.575 0.020 . 2 . . . . . 21 LEU HB3 . 51841 1 169 . 1 . 1 21 21 LEU HD11 H 1 0.907 0.020 . 2 . . . . . 21 LEU HD1 . 51841 1 170 . 1 . 1 21 21 LEU HD12 H 1 0.907 0.020 . 2 . . . . . 21 LEU HD1 . 51841 1 171 . 1 . 1 21 21 LEU HD13 H 1 0.907 0.020 . 2 . . . . . 21 LEU HD1 . 51841 1 172 . 1 . 1 21 21 LEU HD21 H 1 0.847 0.020 . 2 . . . . . 21 LEU HD2 . 51841 1 173 . 1 . 1 21 21 LEU HD22 H 1 0.847 0.020 . 2 . . . . . 21 LEU HD2 . 51841 1 174 . 1 . 1 21 21 LEU HD23 H 1 0.847 0.020 . 2 . . . . . 21 LEU HD2 . 51841 1 175 . 1 . 1 21 21 LEU CA C 13 52.698 0.3 . 1 . . . . . 21 LEU CA . 51841 1 176 . 1 . 1 21 21 LEU CB C 13 39.743 0.3 . 1 . . . . . 21 LEU CB . 51841 1 177 . 1 . 1 21 21 LEU CG C 13 24.267 0.3 . 1 . . . . . 21 LEU CG . 51841 1 178 . 1 . 1 21 21 LEU N N 15 124.235 0.3 . 1 . . . . . 21 LEU N . 51841 1 179 . 1 . 1 22 22 THR H H 1 8.170 0.020 . 1 . . . . . 22 THR H . 51841 1 180 . 1 . 1 22 22 THR HA H 1 4.308 0.020 . 1 . . . . . 22 THR HA . 51841 1 181 . 1 . 1 22 22 THR HB H 1 4.210 0.020 . 1 . . . . . 22 THR HB . 51841 1 182 . 1 . 1 22 22 THR HG21 H 1 1.183 0.020 . 1 . . . . . 22 THR HG2 . 51841 1 183 . 1 . 1 22 22 THR HG22 H 1 1.183 0.020 . 1 . . . . . 22 THR HG2 . 51841 1 184 . 1 . 1 22 22 THR HG23 H 1 1.183 0.020 . 1 . . . . . 22 THR HG2 . 51841 1 185 . 1 . 1 22 22 THR CA C 13 59.364 0.3 . 1 . . . . . 22 THR CA . 51841 1 186 . 1 . 1 22 22 THR CB C 13 67.140 0.3 . 1 . . . . . 22 THR CB . 51841 1 187 . 1 . 1 22 22 THR CG2 C 13 19.060 0.3 . 1 . . . . . 22 THR CG2 . 51841 1 188 . 1 . 1 23 23 GLU H H 1 8.428 0.020 . 1 . . . . . 23 GLU H . 51841 1 189 . 1 . 1 23 23 GLU HA H 1 4.298 0.020 . 1 . . . . . 23 GLU HA . 51841 1 190 . 1 . 1 23 23 GLU HB2 H 1 1.907 0.020 . 2 . . . . . 23 GLU HB2 . 51841 1 191 . 1 . 1 23 23 GLU HB3 H 1 2.022 0.020 . 2 . . . . . 23 GLU HB3 . 51841 1 192 . 1 . 1 23 23 GLU HG2 H 1 2.272 0.020 . 1 . . . . . 23 GLU HG2 . 51841 1 193 . 1 . 1 23 23 GLU HG3 H 1 2.272 0.020 . 1 . . . . . 23 GLU HG3 . 51841 1 194 . 1 . 1 23 23 GLU CA C 13 53.704 0.3 . 1 . . . . . 23 GLU CA . 51841 1 195 . 1 . 1 23 23 GLU CB C 13 27.280 0.3 . 1 . . . . . 23 GLU CB . 51841 1 196 . 1 . 1 24 24 ASP H H 1 8.329 0.020 . 1 . . . . . 24 ASP H . 51841 1 197 . 1 . 1 24 24 ASP HA H 1 4.545 0.020 . 1 . . . . . 24 ASP HA . 51841 1 198 . 1 . 1 24 24 ASP HB2 H 1 2.627 0.020 . 1 . . . . . 24 ASP HB2 . 51841 1 199 . 1 . 1 24 24 ASP HB3 H 1 2.627 0.020 . 1 . . . . . 24 ASP HB3 . 51841 1 200 . 1 . 1 24 24 ASP CA C 13 51.600 0.3 . 1 . . . . . 24 ASP CA . 51841 1 201 . 1 . 1 24 24 ASP CB C 13 38.330 0.3 . 1 . . . . . 24 ASP CB . 51841 1 202 . 1 . 1 25 25 HIS H H 1 8.487 0.020 . 1 . . . . . 25 HIS H . 51841 1 203 . 1 . 1 25 25 HIS HA H 1 4.651 0.020 . 1 . . . . . 25 HIS HA . 51841 1 204 . 1 . 1 25 25 HIS HB2 H 1 3.300 0.020 . 2 . . . . . 25 HIS HB2 . 51841 1 205 . 1 . 1 25 25 HIS HB3 H 1 3.179 0.020 . 2 . . . . . 25 HIS HB3 . 51841 1 206 . 1 . 1 25 25 HIS CA C 13 52.920 0.3 . 1 . . . . . 25 HIS CA . 51841 1 207 . 1 . 1 25 25 HIS CB C 13 26.002 0.3 . 1 . . . . . 25 HIS CB . 51841 1 208 . 1 . 1 26 26 LEU H H 1 8.289 0.020 . 1 . . . . . 26 LEU H . 51841 1 209 . 1 . 1 26 26 LEU HA H 1 4.341 0.020 . 1 . . . . . 26 LEU HA . 51841 1 210 . 1 . 1 26 26 LEU HB2 H 1 1.629 0.020 . 1 . . . . . 26 LEU HB2 . 51841 1 211 . 1 . 1 26 26 LEU HB3 H 1 1.629 0.020 . 1 . . . . . 26 LEU HB3 . 51841 1 212 . 1 . 1 26 26 LEU HG H 1 1.530 0.020 . 1 . . . . . 26 LEU HG . 51841 1 213 . 1 . 1 26 26 LEU HD11 H 1 0.901 0.020 . 2 . . . . . 26 LEU HD1 . 51841 1 214 . 1 . 1 26 26 LEU HD12 H 1 0.901 0.020 . 2 . . . . . 26 LEU HD1 . 51841 1 215 . 1 . 1 26 26 LEU HD13 H 1 0.901 0.020 . 2 . . . . . 26 LEU HD1 . 51841 1 216 . 1 . 1 26 26 LEU HD21 H 1 0.848 0.020 . 2 . . . . . 26 LEU HD2 . 51841 1 217 . 1 . 1 26 26 LEU HD22 H 1 0.848 0.020 . 2 . . . . . 26 LEU HD2 . 51841 1 218 . 1 . 1 26 26 LEU HD23 H 1 0.848 0.020 . 2 . . . . . 26 LEU HD2 . 51841 1 219 . 1 . 1 26 26 LEU CA C 13 52.819 0.3 . 1 . . . . . 26 LEU CA . 51841 1 220 . 1 . 1 26 26 LEU CB C 13 39.701 0.3 . 1 . . . . . 26 LEU CB . 51841 1 221 . 1 . 1 26 26 LEU CG C 13 24.272 0.3 . 1 . . . . . 26 LEU CG . 51841 1 222 . 1 . 1 26 26 LEU N N 15 122.806 0.3 . 1 . . . . . 26 LEU N . 51841 1 223 . 1 . 1 27 27 ASP H H 1 8.430 0.020 . 1 . . . . . 27 ASP H . 51841 1 224 . 1 . 1 27 27 ASP HA H 1 4.607 0.020 . 1 . . . . . 27 ASP HA . 51841 1 225 . 1 . 1 27 27 ASP CA C 13 51.504 0.3 . 1 . . . . . 27 ASP CA . 51841 1 226 . 1 . 1 27 27 ASP CB C 13 38.151 0.3 . 1 . . . . . 27 ASP CB . 51841 1 227 . 1 . 1 28 28 LYS H H 1 8.324 0.020 . 1 . . . . . 28 LYS H . 51841 1 228 . 1 . 1 28 28 LYS HA H 1 4.318 0.020 . 1 . . . . . 28 LYS HA . 51841 1 229 . 1 . 1 28 28 LYS CA C 13 53.921 0.3 . 1 . . . . . 28 LYS CA . 51841 1 230 . 1 . 1 28 28 LYS CB C 13 30.039 0.3 . 1 . . . . . 28 LYS CB . 51841 1 231 . 1 . 1 29 29 ASN H H 1 8.455 0.020 . 1 . . . . . 29 ASN H . 51841 1 232 . 1 . 1 29 29 ASN HA H 1 4.665 0.020 . 1 . . . . . 29 ASN HA . 51841 1 233 . 1 . 1 29 29 ASN HB2 H 1 2.846 0.020 . 2 . . . . . 29 ASN HB2 . 51841 1 234 . 1 . 1 29 29 ASN HB3 H 1 2.768 0.020 . 2 . . . . . 29 ASN HB3 . 51841 1 235 . 1 . 1 29 29 ASN HD21 H 1 7.683 0.020 . 1 . . . . . 29 ASN HD21 . 51841 1 236 . 1 . 1 29 29 ASN HD22 H 1 6.952 0.020 . 1 . . . . . 29 ASN HD22 . 51841 1 237 . 1 . 1 29 29 ASN CA C 13 50.982 0.3 . 1 . . . . . 29 ASN CA . 51841 1 238 . 1 . 1 29 29 ASN CB C 13 36.155 0.3 . 1 . . . . . 29 ASN CB . 51841 1 239 . 1 . 1 30 30 ASN H H 1 8.275 0.020 . 1 . . . . . 30 ASN H . 51841 1 240 . 1 . 1 30 30 ASN HA H 1 4.651 0.020 . 1 . . . . . 30 ASN HA . 51841 1 241 . 1 . 1 30 30 ASN HB2 H 1 2.834 0.020 . 2 . . . . . 30 ASN HB2 . 51841 1 242 . 1 . 1 30 30 ASN HB3 H 1 2.753 0.020 . 2 . . . . . 30 ASN HB3 . 51841 1 243 . 1 . 1 30 30 ASN HD21 H 1 7.664 0.020 . 1 . . . . . 30 ASN HD21 . 51841 1 244 . 1 . 1 30 30 ASN HD22 H 1 6.926 0.020 . 1 . . . . . 30 ASN HD22 . 51841 1 245 . 1 . 1 30 30 ASN CA C 13 50.960 0.3 . 1 . . . . . 30 ASN CA . 51841 1 246 . 1 . 1 30 30 ASN CB C 13 36.218 0.3 . 1 . . . . . 30 ASN CB . 51841 1 247 . 1 . 1 31 31 ALA H H 1 8.230 0.020 . 1 . . . . . 31 ALA H . 51841 1 248 . 1 . 1 31 31 ALA HA H 1 4.275 0.020 . 1 . . . . . 31 ALA HA . 51841 1 249 . 1 . 1 31 31 ALA HB1 H 1 1.389 0.020 . 1 . . . . . 31 ALA HB . 51841 1 250 . 1 . 1 31 31 ALA HB2 H 1 1.389 0.020 . 1 . . . . . 31 ALA HB . 51841 1 251 . 1 . 1 31 31 ALA HB3 H 1 1.389 0.020 . 1 . . . . . 31 ALA HB . 51841 1 252 . 1 . 1 31 31 ALA CA C 13 50.419 0.3 . 1 . . . . . 31 ALA CA . 51841 1 253 . 1 . 1 31 31 ALA CB C 13 16.425 0.3 . 1 . . . . . 31 ALA CB . 51841 1 254 . 1 . 1 32 32 GLN H H 1 8.268 0.020 . 1 . . . . . 32 GLN H . 51841 1 255 . 1 . 1 32 32 GLN HA H 1 4.279 0.020 . 1 . . . . . 32 GLN HA . 51841 1 256 . 1 . 1 32 32 GLN HB2 H 1 2.093 0.020 . 2 . . . . . 32 GLN HB2 . 51841 1 257 . 1 . 1 32 32 GLN HB3 H 1 1.989 0.020 . 2 . . . . . 32 GLN HB3 . 51841 1 258 . 1 . 1 32 32 GLN HG2 H 1 2.361 0.020 . 1 . . . . . 32 GLN HG2 . 51841 1 259 . 1 . 1 32 32 GLN HG3 H 1 2.361 0.020 . 1 . . . . . 32 GLN HG3 . 51841 1 260 . 1 . 1 32 32 GLN CA C 13 53.462 0.3 . 1 . . . . . 32 GLN CA . 51841 1 261 . 1 . 1 32 32 GLN CB C 13 26.471 0.3 . 1 . . . . . 32 GLN CB . 51841 1 262 . 1 . 1 33 33 ARG H H 1 8.235 0.020 . 1 . . . . . 33 ARG H . 51841 1 263 . 1 . 1 33 33 ARG HA H 1 4.299 0.020 . 1 . . . . . 33 ARG HA . 51841 1 264 . 1 . 1 33 33 ARG HB2 H 1 1.855 0.020 . 2 . . . . . 33 ARG HB2 . 51841 1 265 . 1 . 1 33 33 ARG HB3 H 1 1.745 0.020 . 2 . . . . . 33 ARG HB3 . 51841 1 266 . 1 . 1 33 33 ARG HG2 H 1 1.615 0.020 . 1 . . . . . 33 ARG HG2 . 51841 1 267 . 1 . 1 33 33 ARG HG3 H 1 1.615 0.020 . 1 . . . . . 33 ARG HG3 . 51841 1 268 . 1 . 1 33 33 ARG HD2 H 1 3.188 0.020 . 1 . . . . . 33 ARG HD2 . 51841 1 269 . 1 . 1 33 33 ARG HD3 H 1 3.188 0.020 . 1 . . . . . 33 ARG HD3 . 51841 1 270 . 1 . 1 33 33 ARG HE H 1 7.211 0.020 . 1 . . . . . 33 ARG HE . 51841 1 271 . 1 . 1 33 33 ARG CA C 13 53.411 0.3 . 1 . . . . . 33 ARG CA . 51841 1 272 . 1 . 1 33 33 ARG CB C 13 28.229 0.3 . 1 . . . . . 33 ARG CB . 51841 1 273 . 1 . 1 34 34 ALA H H 1 8.340 0.020 . 1 . . . . . 34 ALA H . 51841 1 274 . 1 . 1 34 34 ALA HA H 1 4.323 0.020 . 1 . . . . . 34 ALA HA . 51841 1 275 . 1 . 1 34 34 ALA HB1 H 1 1.394 0.020 . 1 . . . . . 34 ALA HB . 51841 1 276 . 1 . 1 34 34 ALA HB2 H 1 1.394 0.020 . 1 . . . . . 34 ALA HB . 51841 1 277 . 1 . 1 34 34 ALA HB3 H 1 1.394 0.020 . 1 . . . . . 34 ALA HB . 51841 1 278 . 1 . 1 34 34 ALA CA C 13 50.025 0.3 . 1 . . . . . 34 ALA CA . 51841 1 279 . 1 . 1 34 34 ALA CB C 13 16.547 0.3 . 1 . . . . . 34 ALA CB . 51841 1 280 . 1 . 1 35 35 GLY H H 1 8.391 0.020 . 1 . . . . . 35 GLY H . 51841 1 281 . 1 . 1 35 35 GLY HA2 H 1 3.956 0.020 . 1 . . . . . 35 GLY HA2 . 51841 1 282 . 1 . 1 35 35 GLY HA3 H 1 3.956 0.020 . 1 . . . . . 35 GLY HA3 . 51841 1 283 . 1 . 1 35 35 GLY CA C 13 42.775 0.3 . 1 . . . . . 35 GLY CA . 51841 1 284 . 1 . 1 36 36 VAL H H 1 7.949 0.020 . 1 . . . . . 36 VAL H . 51841 1 285 . 1 . 1 36 36 VAL HA H 1 4.224 0.020 . 1 . . . . . 36 VAL HA . 51841 1 286 . 1 . 1 36 36 VAL HB H 1 2.130 0.020 . 1 . . . . . 36 VAL HB . 51841 1 287 . 1 . 1 36 36 VAL HG11 H 1 0.916 0.020 . 1 . . . . . 36 VAL HG1 . 51841 1 288 . 1 . 1 36 36 VAL HG12 H 1 0.916 0.020 . 1 . . . . . 36 VAL HG1 . 51841 1 289 . 1 . 1 36 36 VAL HG13 H 1 0.916 0.020 . 1 . . . . . 36 VAL HG1 . 51841 1 290 . 1 . 1 36 36 VAL HG21 H 1 0.916 0.020 . 1 . . . . . 36 VAL HG2 . 51841 1 291 . 1 . 1 36 36 VAL HG22 H 1 0.916 0.020 . 1 . . . . . 36 VAL HG2 . 51841 1 292 . 1 . 1 36 36 VAL HG23 H 1 0.916 0.020 . 1 . . . . . 36 VAL HG2 . 51841 1 293 . 1 . 1 36 36 VAL CA C 13 59.596 0.3 . 1 . . . . . 36 VAL CA . 51841 1 294 . 1 . 1 36 36 VAL CB C 13 30.379 0.3 . 1 . . . . . 36 VAL CB . 51841 1 295 . 1 . 1 36 36 VAL CG1 C 13 18.534 0.3 . 1 . . . . . 36 VAL CG1 . 51841 1 296 . 1 . 1 36 36 VAL CG2 C 13 17.508 0.3 . 1 . . . . . 36 VAL CG2 . 51841 1 297 . 1 . 1 37 37 SER H H 1 8.036 0.020 . 1 . . . . . 37 SER H . 51841 1 298 . 1 . 1 37 37 SER HA H 1 4.282 0.020 . 1 . . . . . 37 SER HA . 51841 1 299 . 1 . 1 37 37 SER HB2 H 1 3.833 0.020 . 1 . . . . . 37 SER HB2 . 51841 1 300 . 1 . 1 37 37 SER HB3 H 1 3.833 0.020 . 1 . . . . . 37 SER HB3 . 51841 1 301 . 1 . 1 37 37 SER CA C 13 57.270 0.3 . 1 . . . . . 37 SER CA . 51841 1 302 . 1 . 1 37 37 SER CB C 13 62.244 0.3 . 1 . . . . . 37 SER CB . 51841 1 stop_ save_