data_51650 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51650 _Entry.Title ; Ded1p N-terminal IDR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-10-04 _Entry.Accession_date 2022-10-04 _Entry.Last_release_date 2022-10-04 _Entry.Original_release_date 2022-10-04 _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 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Backbone assignment' _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 Jakob Schneider . . . . 51650 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51650 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 193 51650 '15N chemical shifts' 69 51650 '1H chemical shifts' 69 51650 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 . . 2022-10-10 . original BMRB . 51650 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51649 'Ded1p RecA2 domain' 51650 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51650 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Ded1p N-terminal IDR ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'to be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Jakob schneider . . . . 51650 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51650 _Assembly.ID 1 _Assembly.Name 'Ded1p N-terminal IDR' _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 'Ded1p N-terminal IDR' 1 $entity_1 . . yes native no no . . . 51650 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51650 _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 ; MAELSEQVQNLSINDNNENG YVPPHLRGKPRSARNNSSNY NNNNGGYNGGRGGGSFFSNN RRGGYGNGGFFGGNNGGSRS N ; _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 81 _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 . 51650 1 2 . ALA . 51650 1 3 . GLU . 51650 1 4 . LEU . 51650 1 5 . SER . 51650 1 6 . GLU . 51650 1 7 . GLN . 51650 1 8 . VAL . 51650 1 9 . GLN . 51650 1 10 . ASN . 51650 1 11 . LEU . 51650 1 12 . SER . 51650 1 13 . ILE . 51650 1 14 . ASN . 51650 1 15 . ASP . 51650 1 16 . ASN . 51650 1 17 . ASN . 51650 1 18 . GLU . 51650 1 19 . ASN . 51650 1 20 . GLY . 51650 1 21 . TYR . 51650 1 22 . VAL . 51650 1 23 . PRO . 51650 1 24 . PRO . 51650 1 25 . HIS . 51650 1 26 . LEU . 51650 1 27 . ARG . 51650 1 28 . GLY . 51650 1 29 . LYS . 51650 1 30 . PRO . 51650 1 31 . ARG . 51650 1 32 . SER . 51650 1 33 . ALA . 51650 1 34 . ARG . 51650 1 35 . ASN . 51650 1 36 . ASN . 51650 1 37 . SER . 51650 1 38 . SER . 51650 1 39 . ASN . 51650 1 40 . TYR . 51650 1 41 . ASN . 51650 1 42 . ASN . 51650 1 43 . ASN . 51650 1 44 . ASN . 51650 1 45 . GLY . 51650 1 46 . GLY . 51650 1 47 . TYR . 51650 1 48 . ASN . 51650 1 49 . GLY . 51650 1 50 . GLY . 51650 1 51 . ARG . 51650 1 52 . GLY . 51650 1 53 . GLY . 51650 1 54 . GLY . 51650 1 55 . SER . 51650 1 56 . PHE . 51650 1 57 . PHE . 51650 1 58 . SER . 51650 1 59 . ASN . 51650 1 60 . ASN . 51650 1 61 . ARG . 51650 1 62 . ARG . 51650 1 63 . GLY . 51650 1 64 . GLY . 51650 1 65 . TYR . 51650 1 66 . GLY . 51650 1 67 . ASN . 51650 1 68 . GLY . 51650 1 69 . GLY . 51650 1 70 . PHE . 51650 1 71 . PHE . 51650 1 72 . GLY . 51650 1 73 . GLY . 51650 1 74 . ASN . 51650 1 75 . ASN . 51650 1 76 . GLY . 51650 1 77 . GLY . 51650 1 78 . SER . 51650 1 79 . ARG . 51650 1 80 . SER . 51650 1 81 . ASN . 51650 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 51650 1 . ALA 2 2 51650 1 . GLU 3 3 51650 1 . LEU 4 4 51650 1 . SER 5 5 51650 1 . GLU 6 6 51650 1 . GLN 7 7 51650 1 . VAL 8 8 51650 1 . GLN 9 9 51650 1 . ASN 10 10 51650 1 . LEU 11 11 51650 1 . SER 12 12 51650 1 . ILE 13 13 51650 1 . ASN 14 14 51650 1 . ASP 15 15 51650 1 . ASN 16 16 51650 1 . ASN 17 17 51650 1 . GLU 18 18 51650 1 . ASN 19 19 51650 1 . GLY 20 20 51650 1 . TYR 21 21 51650 1 . VAL 22 22 51650 1 . PRO 23 23 51650 1 . PRO 24 24 51650 1 . HIS 25 25 51650 1 . LEU 26 26 51650 1 . ARG 27 27 51650 1 . GLY 28 28 51650 1 . LYS 29 29 51650 1 . PRO 30 30 51650 1 . ARG 31 31 51650 1 . SER 32 32 51650 1 . ALA 33 33 51650 1 . ARG 34 34 51650 1 . ASN 35 35 51650 1 . ASN 36 36 51650 1 . SER 37 37 51650 1 . SER 38 38 51650 1 . ASN 39 39 51650 1 . TYR 40 40 51650 1 . ASN 41 41 51650 1 . ASN 42 42 51650 1 . ASN 43 43 51650 1 . ASN 44 44 51650 1 . GLY 45 45 51650 1 . GLY 46 46 51650 1 . TYR 47 47 51650 1 . ASN 48 48 51650 1 . GLY 49 49 51650 1 . GLY 50 50 51650 1 . ARG 51 51 51650 1 . GLY 52 52 51650 1 . GLY 53 53 51650 1 . GLY 54 54 51650 1 . SER 55 55 51650 1 . PHE 56 56 51650 1 . PHE 57 57 51650 1 . SER 58 58 51650 1 . ASN 59 59 51650 1 . ASN 60 60 51650 1 . ARG 61 61 51650 1 . ARG 62 62 51650 1 . GLY 63 63 51650 1 . GLY 64 64 51650 1 . TYR 65 65 51650 1 . GLY 66 66 51650 1 . ASN 67 67 51650 1 . GLY 68 68 51650 1 . GLY 69 69 51650 1 . PHE 70 70 51650 1 . PHE 71 71 51650 1 . GLY 72 72 51650 1 . GLY 73 73 51650 1 . ASN 74 74 51650 1 . ASN 75 75 51650 1 . GLY 76 76 51650 1 . GLY 77 77 51650 1 . SER 78 78 51650 1 . ARG 79 79 51650 1 . SER 80 80 51650 1 . ASN 81 81 51650 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 51650 _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 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 51650 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 51650 _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 . . pETM-11 . . . 51650 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51650 _Sample.ID 1 _Sample.Name 'Ded1p N-terminal IDR' _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 'Ded1p N-terminal IDR' '[U-13C; U-15N]' . . 1 $entity_1 . . 300 . . uM . . . . 51650 1 2 'sodium chloride' 'natural abundance' . . . . . . 125 . . mM . . . . 51650 1 3 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 51650 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 51650 1 5 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 51650 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 51650 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Ded1p N-terminal IDR' _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' 0.125 . M 51650 1 pH 7.3 . pH 51650 1 pressure 1 . atm 51650 1 temperature 277 . K 51650 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51650 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51650 1 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 51650 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AVANCE NEO 500 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 51650 _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 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51650 1 2 '3D CBCACONH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51650 1 3 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51650 1 4 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51650 1 5 '2D 1H-15N TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51650 1 6 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51650 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 51650 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Ded1p N-terminal IDR' _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 water protons . . . . ppm 4.698 internal indirect . . . . . . 51650 1 H 1 water protons . . . . ppm 4.698 internal direct 1 . . . . . 51650 1 N 15 water protons . . . . ppm 4.698 internal indirect . . . . . . 51650 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 51650 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chemical_shifts _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 '3D HNCO' . . . 51650 1 2 '3D CBCACONH' . . . 51650 1 3 '3D HNCACB' . . . 51650 1 4 '3D HN(CA)CO' . . . 51650 1 6 '3D H(CCO)NH' . . . 51650 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 . . 51650 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 8.249 0.02 . 1 . . . . . 1 MET H . 51650 1 2 . 1 . 1 1 1 MET C C 13 176.243 0.3 . 1 . . . . . 1 MET C . 51650 1 3 . 1 . 1 1 1 MET CA C 13 55.275 0.3 . 1 . . . . . 1 MET CA . 51650 1 4 . 1 . 1 1 1 MET CB C 13 32.547 0.3 . 1 . . . . . 1 MET CB . 51650 1 5 . 1 . 1 1 1 MET N N 15 119.939 0.3 . 1 . . . . . 1 MET N . 51650 1 6 . 1 . 1 2 2 ALA H H 1 8.224 0.02 . 1 . . . . . 2 ALA H . 51650 1 7 . 1 . 1 2 2 ALA C C 13 177.689 0.3 . 1 . . . . . 2 ALA C . 51650 1 8 . 1 . 1 2 2 ALA CA C 13 52.53 0.3 . 1 . . . . . 2 ALA CA . 51650 1 9 . 1 . 1 2 2 ALA CB C 13 18.658 0.3 . 1 . . . . . 2 ALA CB . 51650 1 10 . 1 . 1 2 2 ALA N N 15 125.135 0.3 . 1 . . . . . 2 ALA N . 51650 1 11 . 1 . 1 3 3 GLU H H 1 8.171 0.02 . 1 . . . . . 3 GLU H . 51650 1 12 . 1 . 1 3 3 GLU C C 13 176.613 0.3 . 1 . . . . . 3 GLU C . 51650 1 13 . 1 . 1 3 3 GLU CA C 13 56.263 0.3 . 1 . . . . . 3 GLU CA . 51650 1 14 . 1 . 1 3 3 GLU CB C 13 29.802 0.3 . 1 . . . . . 3 GLU CB . 51650 1 15 . 1 . 1 3 3 GLU N N 15 119.939 0.3 . 1 . . . . . 3 GLU N . 51650 1 16 . 1 . 1 4 4 LEU H H 1 8.095 0.02 . 1 . . . . . 4 LEU H . 51650 1 17 . 1 . 1 4 4 LEU C C 13 177.504 0.3 . 1 . . . . . 4 LEU C . 51650 1 18 . 1 . 1 4 4 LEU CA C 13 55 0.3 . 1 . . . . . 4 LEU CA . 51650 1 19 . 1 . 1 4 4 LEU CB C 13 41.825 0.3 . 1 . . . . . 4 LEU CB . 51650 1 20 . 1 . 1 4 4 LEU N N 15 122.96 0.3 . 1 . . . . . 4 LEU N . 51650 1 21 . 1 . 1 5 5 SER H H 1 8.088 0.02 . 1 . . . . . 5 SER H . 51650 1 22 . 1 . 1 5 5 SER C C 13 174.219 0.3 . 1 . . . . . 5 SER C . 51650 1 23 . 1 . 1 5 5 SER CA C 13 58.459 0.3 . 1 . . . . . 5 SER CA . 51650 1 24 . 1 . 1 5 5 SER CB C 13 63.454 0.3 . 1 . . . . . 5 SER CB . 51650 1 25 . 1 . 1 5 5 SER N N 15 116.225 0.3 . 1 . . . . . 5 SER N . 51650 1 26 . 1 . 1 6 6 GLU H H 1 8.186 0.02 . 1 . . . . . 6 GLU H . 51650 1 27 . 1 . 1 6 6 GLU C C 13 176.412 0.3 . 1 . . . . . 6 GLU C . 51650 1 28 . 1 . 1 6 6 GLU CA C 13 56.482 0.3 . 1 . . . . . 6 GLU CA . 51650 1 29 . 1 . 1 6 6 GLU CB C 13 29.802 0.3 . 1 . . . . . 6 GLU CB . 51650 1 30 . 1 . 1 6 6 GLU N N 15 122.264 0.3 . 1 . . . . . 6 GLU N . 51650 1 31 . 1 . 1 7 7 GLN H H 1 8.113 0.02 . 1 . . . . . 7 GLN H . 51650 1 32 . 1 . 1 7 7 GLN C C 13 176.099 0.3 . 1 . . . . . 7 GLN C . 51650 1 33 . 1 . 1 7 7 GLN CA C 13 55.824 0.3 . 1 . . . . . 7 GLN CA . 51650 1 34 . 1 . 1 7 7 GLN CB C 13 29.088 0.3 . 1 . . . . . 7 GLN CB . 51650 1 35 . 1 . 1 7 7 GLN N N 15 120.872 0.3 . 1 . . . . . 7 GLN N . 51650 1 36 . 1 . 1 8 8 VAL H H 1 7.974 0.02 . 1 . . . . . 8 VAL H . 51650 1 37 . 1 . 1 8 8 VAL C C 13 176.251 0.3 . 1 . . . . . 8 VAL C . 51650 1 38 . 1 . 1 8 8 VAL CA C 13 62.576 0.3 . 1 . . . . . 8 VAL CA . 51650 1 39 . 1 . 1 8 8 VAL CB C 13 32.272 0.3 . 1 . . . . . 8 VAL CB . 51650 1 40 . 1 . 1 8 8 VAL N N 15 121.588 0.3 . 1 . . . . . 8 VAL N . 51650 1 41 . 1 . 1 9 9 GLN H H 1 8.285 0.02 . 1 . . . . . 9 GLN H . 51650 1 42 . 1 . 1 9 9 GLN C C 13 175.48 0.3 . 1 . . . . . 9 GLN C . 51650 1 43 . 1 . 1 9 9 GLN CA C 13 55.714 0.3 . 1 . . . . . 9 GLN CA . 51650 1 44 . 1 . 1 9 9 GLN CB C 13 29.253 0.3 . 1 . . . . . 9 GLN CB . 51650 1 45 . 1 . 1 9 9 GLN N N 15 123.637 0.3 . 1 . . . . . 9 GLN N . 51650 1 46 . 1 . 1 10 10 ASN H H 1 8.288 0.02 . 1 . . . . . 10 ASN H . 51650 1 47 . 1 . 1 10 10 ASN C C 13 175.054 0.3 . 1 . . . . . 10 ASN C . 51650 1 48 . 1 . 1 10 10 ASN CA C 13 52.859 0.3 . 1 . . . . . 10 ASN CA . 51650 1 49 . 1 . 1 10 10 ASN CB C 13 38.421 0.3 . 1 . . . . . 10 ASN CB . 51650 1 50 . 1 . 1 10 10 ASN N N 15 119.948 0.3 . 1 . . . . . 10 ASN N . 51650 1 51 . 1 . 1 11 11 LEU H H 1 8.093 0.02 . 1 . . . . . 11 LEU H . 51650 1 52 . 1 . 1 11 11 LEU C C 13 177.384 0.3 . 1 . . . . . 11 LEU C . 51650 1 53 . 1 . 1 11 11 LEU CA C 13 54.89 0.3 . 1 . . . . . 11 LEU CA . 51650 1 54 . 1 . 1 11 11 LEU CB C 13 41.934 0.3 . 1 . . . . . 11 LEU CB . 51650 1 55 . 1 . 1 11 11 LEU N N 15 122.669 0.3 . 1 . . . . . 11 LEU N . 51650 1 56 . 1 . 1 12 12 SER H H 1 8.128 0.02 . 1 . . . . . 12 SER H . 51650 1 57 . 1 . 1 12 12 SER C C 13 174.492 0.3 . 1 . . . . . 12 SER C . 51650 1 58 . 1 . 1 12 12 SER CA C 13 58.184 0.3 . 1 . . . . . 12 SER CA . 51650 1 59 . 1 . 1 12 12 SER CB C 13 63.454 0.3 . 1 . . . . . 12 SER CB . 51650 1 60 . 1 . 1 12 12 SER N N 15 116.492 0.3 . 1 . . . . . 12 SER N . 51650 1 61 . 1 . 1 13 13 ILE H H 1 7.86 0.02 . 1 . . . . . 13 ILE H . 51650 1 62 . 1 . 1 13 13 ILE C C 13 175.785 0.3 . 1 . . . . . 13 ILE C . 51650 1 63 . 1 . 1 13 13 ILE CA C 13 61.149 0.3 . 1 . . . . . 13 ILE CA . 51650 1 64 . 1 . 1 13 13 ILE CB C 13 38.421 0.3 . 1 . . . . . 13 ILE CB . 51650 1 65 . 1 . 1 13 13 ILE N N 15 121.858 0.3 . 1 . . . . . 13 ILE N . 51650 1 66 . 1 . 1 14 14 ASN H H 1 8.183 0.02 . 1 . . . . . 14 ASN H . 51650 1 67 . 1 . 1 14 14 ASN C C 13 174.685 0.3 . 1 . . . . . 14 ASN C . 51650 1 68 . 1 . 1 14 14 ASN CA C 13 52.859 0.3 . 1 . . . . . 14 ASN CA . 51650 1 69 . 1 . 1 14 14 ASN CB C 13 38.695 0.3 . 1 . . . . . 14 ASN CB . 51650 1 70 . 1 . 1 14 14 ASN N N 15 121.591 0.3 . 1 . . . . . 14 ASN N . 51650 1 71 . 1 . 1 15 15 ASP H H 1 8.011 0.02 . 1 . . . . . 15 ASP H . 51650 1 72 . 1 . 1 15 15 ASP C C 13 175.809 0.3 . 1 . . . . . 15 ASP C . 51650 1 73 . 1 . 1 15 15 ASP CA C 13 54.232 0.3 . 1 . . . . . 15 ASP CA . 51650 1 74 . 1 . 1 15 15 ASP CB C 13 40.727 0.3 . 1 . . . . . 15 ASP CB . 51650 1 75 . 1 . 1 15 15 ASP N N 15 120.776 0.3 . 1 . . . . . 15 ASP N . 51650 1 76 . 1 . 1 16 16 ASN H H 1 8.142 0.02 . 1 . . . . . 16 ASN H . 51650 1 77 . 1 . 1 16 16 ASN C C 13 175.014 0.3 . 1 . . . . . 16 ASN C . 51650 1 78 . 1 . 1 16 16 ASN CA C 13 53.189 0.3 . 1 . . . . . 16 ASN CA . 51650 1 79 . 1 . 1 16 16 ASN CB C 13 38.421 0.3 . 1 . . . . . 16 ASN CB . 51650 1 80 . 1 . 1 16 16 ASN N N 15 118.442 0.3 . 1 . . . . . 16 ASN N . 51650 1 81 . 1 . 1 17 17 ASN H H 1 8.173 0.02 . 1 . . . . . 17 ASN H . 51650 1 82 . 1 . 1 17 17 ASN C C 13 175.432 0.3 . 1 . . . . . 17 ASN C . 51650 1 83 . 1 . 1 17 17 ASN CA C 13 53.079 0.3 . 1 . . . . . 17 ASN CA . 51650 1 84 . 1 . 1 17 17 ASN CB C 13 38.421 0.3 . 1 . . . . . 17 ASN CB . 51650 1 85 . 1 . 1 17 17 ASN N N 15 118.43 0.3 . 1 . . . . . 17 ASN N . 51650 1 86 . 1 . 1 18 18 GLU H H 1 8.239 0.02 . 1 . . . . . 18 GLU H . 51650 1 87 . 1 . 1 18 18 GLU C C 13 176.476 0.3 . 1 . . . . . 18 GLU C . 51650 1 88 . 1 . 1 18 18 GLU CA C 13 56.757 0.3 . 1 . . . . . 18 GLU CA . 51650 1 89 . 1 . 1 18 18 GLU CB C 13 29.527 0.3 . 1 . . . . . 18 GLU CB . 51650 1 90 . 1 . 1 18 18 GLU N N 15 120.727 0.3 . 1 . . . . . 18 GLU N . 51650 1 91 . 1 . 1 19 19 ASN H H 1 8.277 0.02 . 1 . . . . . 19 ASN H . 51650 1 92 . 1 . 1 19 19 ASN C C 13 175.601 0.3 . 1 . . . . . 19 ASN C . 51650 1 93 . 1 . 1 19 19 ASN CA C 13 53.189 0.3 . 1 . . . . . 19 ASN CA . 51650 1 94 . 1 . 1 19 19 ASN CB C 13 38.531 0.3 . 1 . . . . . 19 ASN CB . 51650 1 95 . 1 . 1 19 19 ASN N N 15 118.719 0.3 . 1 . . . . . 19 ASN N . 51650 1 96 . 1 . 1 20 20 GLY H H 1 8.069 0.02 . 1 . . . . . 20 GLY H . 51650 1 97 . 1 . 1 20 20 GLY C C 13 173.392 0.3 . 1 . . . . . 20 GLY C . 51650 1 98 . 1 . 1 20 20 GLY CA C 13 44.899 0.3 . 1 . . . . . 20 GLY CA . 51650 1 99 . 1 . 1 20 20 GLY N N 15 109.007 0.3 . 1 . . . . . 20 GLY N . 51650 1 100 . 1 . 1 21 21 TYR H H 1 7.859 0.02 . 1 . . . . . 21 TYR H . 51650 1 101 . 1 . 1 21 21 TYR C C 13 174.886 0.3 . 1 . . . . . 21 TYR C . 51650 1 102 . 1 . 1 21 21 TYR CA C 13 58.569 0.3 . 1 . . . . . 21 TYR CA . 51650 1 103 . 1 . 1 21 21 TYR CB C 13 38.476 0.3 . 1 . . . . . 21 TYR CB . 51650 1 104 . 1 . 1 21 21 TYR N N 15 120.957 0.3 . 1 . . . . . 21 TYR N . 51650 1 105 . 1 . 1 22 22 VAL H H 1 7.576 0.02 . 1 . . . . . 22 VAL H . 51650 1 106 . 1 . 1 22 22 VAL C C 13 172.709 0.3 . 1 . . . . . 22 VAL C . 51650 1 107 . 1 . 1 22 22 VAL CA C 13 58.569 0.3 . 1 . . . . . 22 VAL CA . 51650 1 108 . 1 . 1 22 22 VAL CB C 13 33.809 0.3 . 1 . . . . . 22 VAL CB . 51650 1 109 . 1 . 1 22 22 VAL N N 15 129.099 0.3 . 1 . . . . . 22 VAL N . 51650 1 110 . 1 . 1 25 25 HIS H H 1 7.91 0.02 . 1 . . . . . 25 HIS H . 51650 1 111 . 1 . 1 25 25 HIS C C 13 175.568 0.3 . 1 . . . . . 25 HIS C . 51650 1 112 . 1 . 1 25 25 HIS CA C 13 57.525 0.3 . 1 . . . . . 25 HIS CA . 51650 1 113 . 1 . 1 25 25 HIS CB C 13 29.308 0.3 . 1 . . . . . 25 HIS CB . 51650 1 114 . 1 . 1 25 25 HIS N N 15 113.901 0.3 . 1 . . . . . 25 HIS N . 51650 1 115 . 1 . 1 26 26 LEU H H 1 7.348 0.02 . 1 . . . . . 26 LEU H . 51650 1 116 . 1 . 1 26 26 LEU C C 13 176.942 0.3 . 1 . . . . . 26 LEU C . 51650 1 117 . 1 . 1 26 26 LEU CA C 13 53.847 0.3 . 1 . . . . . 26 LEU CA . 51650 1 118 . 1 . 1 26 26 LEU CB C 13 41.77 0.3 . 1 . . . . . 26 LEU CB . 51650 1 119 . 1 . 1 26 26 LEU N N 15 120.49 0.3 . 1 . . . . . 26 LEU N . 51650 1 120 . 1 . 1 27 27 ARG H H 1 7.173 0.02 . 1 . . . . . 27 ARG H . 51650 1 121 . 1 . 1 27 27 ARG C C 13 176.717 0.3 . 1 . . . . . 27 ARG C . 51650 1 122 . 1 . 1 27 27 ARG CA C 13 56.922 0.3 . 1 . . . . . 27 ARG CA . 51650 1 123 . 1 . 1 27 27 ARG CB C 13 30.131 0.3 . 1 . . . . . 27 ARG CB . 51650 1 124 . 1 . 1 27 27 ARG N N 15 120.467 0.3 . 1 . . . . . 27 ARG N . 51650 1 125 . 1 . 1 28 28 GLY H H 1 8.282 0.02 . 1 . . . . . 28 GLY H . 51650 1 126 . 1 . 1 28 28 GLY C C 13 173.528 0.3 . 1 . . . . . 28 GLY C . 51650 1 127 . 1 . 1 28 28 GLY CA C 13 44.844 0.3 . 1 . . . . . 28 GLY CA . 51650 1 128 . 1 . 1 28 28 GLY N N 15 109.558 0.3 . 1 . . . . . 28 GLY N . 51650 1 129 . 1 . 1 29 29 LYS H H 1 7.7 0.02 . 1 . . . . . 29 LYS H . 51650 1 130 . 1 . 1 29 29 LYS C C 13 174.307 0.3 . 1 . . . . . 29 LYS C . 51650 1 131 . 1 . 1 29 29 LYS CA C 13 53.792 0.3 . 1 . . . . . 29 LYS CA . 51650 1 132 . 1 . 1 29 29 LYS CB C 13 31.888 0.3 . 1 . . . . . 29 LYS CB . 51650 1 133 . 1 . 1 29 29 LYS N N 15 121.186 0.3 . 1 . . . . . 29 LYS N . 51650 1 134 . 1 . 1 31 31 ARG H H 1 8.384 0.02 . 1 . . . . . 31 ARG H . 51650 1 135 . 1 . 1 31 31 ARG C C 13 176.428 0.3 . 1 . . . . . 31 ARG C . 51650 1 136 . 1 . 1 31 31 ARG CA C 13 56.153 0.3 . 1 . . . . . 31 ARG CA . 51650 1 137 . 1 . 1 31 31 ARG CB C 13 30.406 0.3 . 1 . . . . . 31 ARG CB . 51650 1 138 . 1 . 1 31 31 ARG N N 15 121.853 0.3 . 1 . . . . . 31 ARG N . 51650 1 139 . 1 . 1 32 32 SER H H 1 8.138 0.02 . 1 . . . . . 32 SER H . 51650 1 140 . 1 . 1 32 32 SER C C 13 174.107 0.3 . 1 . . . . . 32 SER C . 51650 1 141 . 1 . 1 32 32 SER CA C 13 58.129 0.3 . 1 . . . . . 32 SER CA . 51650 1 142 . 1 . 1 32 32 SER CB C 13 63.509 0.3 . 1 . . . . . 32 SER CB . 51650 1 143 . 1 . 1 32 32 SER N N 15 116.53 0.3 . 1 . . . . . 32 SER N . 51650 1 144 . 1 . 1 33 33 ALA H H 1 8.191 0.02 . 1 . . . . . 33 ALA H . 51650 1 145 . 1 . 1 33 33 ALA C C 13 177.633 0.3 . 1 . . . . . 33 ALA C . 51650 1 146 . 1 . 1 33 33 ALA CA C 13 52.365 0.3 . 1 . . . . . 33 ALA CA . 51650 1 147 . 1 . 1 33 33 ALA CB C 13 18.877 0.3 . 1 . . . . . 33 ALA CB . 51650 1 148 . 1 . 1 33 33 ALA N N 15 125.831 0.3 . 1 . . . . . 33 ALA N . 51650 1 149 . 1 . 1 34 34 ARG H H 1 8.039 0.02 . 1 . . . . . 34 ARG H . 51650 1 150 . 1 . 1 34 34 ARG C C 13 175.946 0.3 . 1 . . . . . 34 ARG C . 51650 1 151 . 1 . 1 34 34 ARG CA C 13 56.043 0.3 . 1 . . . . . 34 ARG CA . 51650 1 152 . 1 . 1 34 34 ARG CB C 13 30.351 0.3 . 1 . . . . . 34 ARG CB . 51650 1 153 . 1 . 1 34 34 ARG N N 15 119.543 0.3 . 1 . . . . . 34 ARG N . 51650 1 154 . 1 . 1 35 35 ASN H H 1 8.178 0.02 . 1 . . . . . 35 ASN H . 51650 1 155 . 1 . 1 35 35 ASN C C 13 174.837 0.3 . 1 . . . . . 35 ASN C . 51650 1 156 . 1 . 1 35 35 ASN CA C 13 52.914 0.3 . 1 . . . . . 35 ASN CA . 51650 1 157 . 1 . 1 35 35 ASN CB C 13 38.366 0.3 . 1 . . . . . 35 ASN CB . 51650 1 158 . 1 . 1 35 35 ASN N N 15 119.323 0.3 . 1 . . . . . 35 ASN N . 51650 1 159 . 1 . 1 36 36 ASN H H 1 8.212 0.02 . 1 . . . . . 36 ASN H . 51650 1 160 . 1 . 1 36 36 ASN C C 13 175.376 0.3 . 1 . . . . . 36 ASN C . 51650 1 161 . 1 . 1 36 36 ASN CA C 13 52.914 0.3 . 1 . . . . . 36 ASN CA . 51650 1 162 . 1 . 1 36 36 ASN CB C 13 38.531 0.3 . 1 . . . . . 36 ASN CB . 51650 1 163 . 1 . 1 36 36 ASN N N 15 119.387 0.3 . 1 . . . . . 36 ASN N . 51650 1 164 . 1 . 1 37 37 SER H H 1 8.126 0.02 . 1 . . . . . 37 SER H . 51650 1 165 . 1 . 1 37 37 SER C C 13 175.392 0.3 . 1 . . . . . 37 SER C . 51650 1 166 . 1 . 1 37 37 SER CA C 13 58.514 0.3 . 1 . . . . . 37 SER CA . 51650 1 167 . 1 . 1 37 37 SER CB C 13 63.4 0.3 . 1 . . . . . 37 SER CB . 51650 1 168 . 1 . 1 37 37 SER N N 15 115.852 0.3 . 1 . . . . . 37 SER N . 51650 1 169 . 1 . 1 38 38 SER H H 1 8.144 0.02 . 1 . . . . . 38 SER H . 51650 1 170 . 1 . 1 38 38 SER C C 13 176.22 0.3 . 1 . . . . . 38 SER C . 51650 1 171 . 1 . 1 38 38 SER CA C 13 58.349 0.3 . 1 . . . . . 38 SER CA . 51650 1 172 . 1 . 1 38 38 SER CB C 13 63.509 0.3 . 1 . . . . . 38 SER CB . 51650 1 173 . 1 . 1 38 38 SER N N 15 117.382 0.3 . 1 . . . . . 38 SER N . 51650 1 174 . 1 . 1 39 39 ASN H H 1 8.165 0.02 . 1 . . . . . 39 ASN H . 51650 1 175 . 1 . 1 39 39 ASN C C 13 174.878 0.3 . 1 . . . . . 39 ASN C . 51650 1 176 . 1 . 1 39 39 ASN CA C 13 53.024 0.3 . 1 . . . . . 39 ASN CA . 51650 1 177 . 1 . 1 39 39 ASN CB C 13 38.366 0.3 . 1 . . . . . 39 ASN CB . 51650 1 178 . 1 . 1 39 39 ASN N N 15 120.156 0.3 . 1 . . . . . 39 ASN N . 51650 1 179 . 1 . 1 40 40 TYR H H 1 7.835 0.02 . 1 . . . . . 40 TYR H . 51650 1 180 . 1 . 1 40 40 TYR C C 13 175.392 0.3 . 1 . . . . . 40 TYR C . 51650 1 181 . 1 . 1 40 40 TYR CA C 13 58.02 0.3 . 1 . . . . . 40 TYR CA . 51650 1 182 . 1 . 1 40 40 TYR CB C 13 38.256 0.3 . 1 . . . . . 40 TYR CB . 51650 1 183 . 1 . 1 40 40 TYR N N 15 120.32 0.3 . 1 . . . . . 40 TYR N . 51650 1 184 . 1 . 1 41 41 ASN H H 1 8.046 0.02 . 1 . . . . . 41 ASN H . 51650 1 185 . 1 . 1 41 41 ASN C C 13 174.605 0.3 . 1 . . . . . 41 ASN C . 51650 1 186 . 1 . 1 41 41 ASN CA C 13 52.749 0.3 . 1 . . . . . 41 ASN CA . 51650 1 187 . 1 . 1 41 41 ASN CB C 13 38.421 0.3 . 1 . . . . . 41 ASN CB . 51650 1 188 . 1 . 1 41 41 ASN N N 15 119.875 0.3 . 1 . . . . . 41 ASN N . 51650 1 189 . 1 . 1 44 44 ASN H H 1 8.04 0.02 . 1 . . . . . 44 ASN H . 51650 1 190 . 1 . 1 44 44 ASN C C 13 175.006 0.3 . 1 . . . . . 44 ASN C . 51650 1 191 . 1 . 1 44 44 ASN CA C 13 52.969 0.3 . 1 . . . . . 44 ASN CA . 51650 1 192 . 1 . 1 44 44 ASN CB C 13 38.366 0.3 . 1 . . . . . 44 ASN CB . 51650 1 193 . 1 . 1 44 44 ASN N N 15 118.036 0.3 . 1 . . . . . 44 ASN N . 51650 1 194 . 1 . 1 45 45 GLY H H 1 7.942 0.02 . 1 . . . . . 45 GLY H . 51650 1 195 . 1 . 1 45 45 GLY C C 13 176.275 0.3 . 1 . . . . . 45 GLY C . 51650 1 196 . 1 . 1 45 45 GLY CA C 13 44.624 0.3 . 1 . . . . . 45 GLY CA . 51650 1 197 . 1 . 1 45 45 GLY N N 15 120.502 0.3 . 1 . . . . . 45 GLY N . 51650 1 198 . 1 . 1 48 48 ASN H H 1 8.293 0.02 . 1 . . . . . 48 ASN H . 51650 1 199 . 1 . 1 48 48 ASN C C 13 175.448 0.3 . 1 . . . . . 48 ASN C . 51650 1 200 . 1 . 1 48 48 ASN CA C 13 52.585 0.3 . 1 . . . . . 48 ASN CA . 51650 1 201 . 1 . 1 48 48 ASN CB C 13 38.421 0.3 . 1 . . . . . 48 ASN CB . 51650 1 202 . 1 . 1 48 48 ASN N N 15 121.853 0.3 . 1 . . . . . 48 ASN N . 51650 1 203 . 1 . 1 49 49 GLY H H 1 7.438 0.02 . 1 . . . . . 49 GLY H . 51650 1 204 . 1 . 1 49 49 GLY C C 13 174.46 0.3 . 1 . . . . . 49 GLY C . 51650 1 205 . 1 . 1 49 49 GLY CA C 13 45.338 0.3 . 1 . . . . . 49 GLY CA . 51650 1 206 . 1 . 1 49 49 GLY N N 15 107.788 0.3 . 1 . . . . . 49 GLY N . 51650 1 207 . 1 . 1 50 50 GLY H H 1 7.845 0.02 . 1 . . . . . 50 GLY H . 51650 1 208 . 1 . 1 50 50 GLY C C 13 174.259 0.3 . 1 . . . . . 50 GLY C . 51650 1 209 . 1 . 1 50 50 GLY CA C 13 44.844 0.3 . 1 . . . . . 50 GLY CA . 51650 1 210 . 1 . 1 50 50 GLY N N 15 107.883 0.3 . 1 . . . . . 50 GLY N . 51650 1 211 . 1 . 1 51 51 ARG H H 1 7.936 0.02 . 1 . . . . . 51 ARG H . 51650 1 212 . 1 . 1 51 51 ARG C C 13 176.926 0.3 . 1 . . . . . 51 ARG C . 51650 1 213 . 1 . 1 51 51 ARG CA C 13 57.965 0.3 . 1 . . . . . 51 ARG CA . 51650 1 214 . 1 . 1 51 51 ARG CB C 13 30.131 0.3 . 1 . . . . . 51 ARG CB . 51650 1 215 . 1 . 1 51 51 ARG N N 15 120.065 0.3 . 1 . . . . . 51 ARG N . 51650 1 216 . 1 . 1 55 55 SER H H 1 7.982 0.02 . 1 . . . . . 55 SER H . 51650 1 217 . 1 . 1 55 55 SER C C 13 174.098 0.3 . 1 . . . . . 55 SER C . 51650 1 218 . 1 . 1 55 55 SER CA C 13 58.133 0.3 . 1 . . . . . 55 SER CA . 51650 1 219 . 1 . 1 55 55 SER CB C 13 63.509 0.3 . 1 . . . . . 55 SER CB . 51650 1 220 . 1 . 1 55 55 SER N N 15 115.169 0.3 . 1 . . . . . 55 SER N . 51650 1 221 . 1 . 1 56 56 PHE H H 1 8.034 0.02 . 1 . . . . . 56 PHE H . 51650 1 222 . 1 . 1 56 56 PHE C C 13 175.352 0.3 . 1 . . . . . 56 PHE C . 51650 1 223 . 1 . 1 56 56 PHE CA C 13 58.129 0.3 . 1 . . . . . 56 PHE CA . 51650 1 224 . 1 . 1 56 56 PHE CB C 13 39.244 0.3 . 1 . . . . . 56 PHE CB . 51650 1 225 . 1 . 1 56 56 PHE N N 15 121.853 0.3 . 1 . . . . . 56 PHE N . 51650 1 226 . 1 . 1 57 57 PHE H H 1 7.918 0.02 . 1 . . . . . 57 PHE H . 51650 1 227 . 1 . 1 57 57 PHE C C 13 175.448 0.3 . 1 . . . . . 57 PHE C . 51650 1 228 . 1 . 1 57 57 PHE CA C 13 57.8 0.3 . 1 . . . . . 57 PHE CA . 51650 1 229 . 1 . 1 57 57 PHE CB C 13 39.409 0.3 . 1 . . . . . 57 PHE CB . 51650 1 230 . 1 . 1 57 57 PHE N N 15 120.45 0.3 . 1 . . . . . 57 PHE N . 51650 1 231 . 1 . 1 58 58 SER H H 1 7.885 0.02 . 1 . . . . . 58 SER H . 51650 1 232 . 1 . 1 58 58 SER C C 13 174.131 0.3 . 1 . . . . . 58 SER C . 51650 1 233 . 1 . 1 58 58 SER CA C 13 58.074 0.3 . 1 . . . . . 58 SER CA . 51650 1 234 . 1 . 1 58 58 SER CB C 13 63.454 0.3 . 1 . . . . . 58 SER CB . 51650 1 235 . 1 . 1 58 58 SER N N 15 116.526 0.3 . 1 . . . . . 58 SER N . 51650 1 236 . 1 . 1 59 59 ASN H H 1 8.061 0.02 . 1 . . . . . 59 ASN H . 51650 1 237 . 1 . 1 59 59 ASN C C 13 174.829 0.3 . 1 . . . . . 59 ASN C . 51650 1 238 . 1 . 1 59 59 ASN CA C 13 52.859 0.3 . 1 . . . . . 59 ASN CA . 51650 1 239 . 1 . 1 59 59 ASN CB C 13 38.476 0.3 . 1 . . . . . 59 ASN CB . 51650 1 240 . 1 . 1 59 59 ASN N N 15 119.784 0.3 . 1 . . . . . 59 ASN N . 51650 1 241 . 1 . 1 62 62 ARG H H 1 8.249 0.02 . 1 . . . . . 62 ARG H . 51650 1 242 . 1 . 1 62 62 ARG C C 13 176.589 0.3 . 1 . . . . . 62 ARG C . 51650 1 243 . 1 . 1 62 62 ARG CA C 13 56.373 0.3 . 1 . . . . . 62 ARG CA . 51650 1 244 . 1 . 1 62 62 ARG CB C 13 29.857 0.3 . 1 . . . . . 62 ARG CB . 51650 1 245 . 1 . 1 62 62 ARG N N 15 120.132 0.3 . 1 . . . . . 62 ARG N . 51650 1 246 . 1 . 1 63 63 GLY H H 1 8.148 0.02 . 1 . . . . . 63 GLY H . 51650 1 247 . 1 . 1 63 63 GLY C C 13 174.211 0.3 . 1 . . . . . 63 GLY C . 51650 1 248 . 1 . 1 63 63 GLY CA C 13 44.954 0.3 . 1 . . . . . 63 GLY CA . 51650 1 249 . 1 . 1 63 63 GLY N N 15 109.619 0.3 . 1 . . . . . 63 GLY N . 51650 1 250 . 1 . 1 64 64 GLY H H 1 7.928 0.02 . 1 . . . . . 64 GLY H . 51650 1 251 . 1 . 1 64 64 GLY C C 13 173.737 0.3 . 1 . . . . . 64 GLY C . 51650 1 252 . 1 . 1 64 64 GLY CA C 13 44.734 0.3 . 1 . . . . . 64 GLY CA . 51650 1 253 . 1 . 1 64 64 GLY N N 15 108.157 0.3 . 1 . . . . . 64 GLY N . 51650 1 254 . 1 . 1 65 65 TYR H H 1 7.958 0.02 . 1 . . . . . 65 TYR H . 51650 1 255 . 1 . 1 65 65 TYR C C 13 176.452 0.3 . 1 . . . . . 65 TYR C . 51650 1 256 . 1 . 1 65 65 TYR CA C 13 58.184 0.3 . 1 . . . . . 65 TYR CA . 51650 1 257 . 1 . 1 65 65 TYR CB C 13 38.531 0.3 . 1 . . . . . 65 TYR CB . 51650 1 258 . 1 . 1 65 65 TYR N N 15 119.672 0.3 . 1 . . . . . 65 TYR N . 51650 1 259 . 1 . 1 66 66 GLY H H 1 8.17 0.02 . 1 . . . . . 66 GLY H . 51650 1 260 . 1 . 1 66 66 GLY C C 13 173.906 0.3 . 1 . . . . . 66 GLY C . 51650 1 261 . 1 . 1 66 66 GLY CA C 13 45.064 0.3 . 1 . . . . . 66 GLY CA . 51650 1 262 . 1 . 1 66 66 GLY N N 15 110.519 0.3 . 1 . . . . . 66 GLY N . 51650 1 263 . 1 . 1 67 67 ASN H H 1 8.114 0.02 . 1 . . . . . 67 ASN H . 51650 1 264 . 1 . 1 67 67 ASN C C 13 175.868 0.3 . 1 . . . . . 67 ASN C . 51650 1 265 . 1 . 1 67 67 ASN CA C 13 52.969 0.3 . 1 . . . . . 67 ASN CA . 51650 1 266 . 1 . 1 67 67 ASN CB C 13 38.586 0.3 . 1 . . . . . 67 ASN CB . 51650 1 267 . 1 . 1 67 67 ASN N N 15 118.44 0.3 . 1 . . . . . 67 ASN N . 51650 1 268 . 1 . 1 68 68 GLY H H 1 8.266 0.02 . 1 . . . . . 68 GLY H . 51650 1 269 . 1 . 1 68 68 GLY C C 13 174.42 0.3 . 1 . . . . . 68 GLY C . 51650 1 270 . 1 . 1 68 68 GLY CA C 13 45.064 0.3 . 1 . . . . . 68 GLY CA . 51650 1 271 . 1 . 1 68 68 GLY N N 15 109.121 0.3 . 1 . . . . . 68 GLY N . 51650 1 272 . 1 . 1 69 69 GLY H H 1 7.912 0.02 . 1 . . . . . 69 GLY H . 51650 1 273 . 1 . 1 69 69 GLY C C 13 173.44 0.3 . 1 . . . . . 69 GLY C . 51650 1 274 . 1 . 1 69 69 GLY CA C 13 44.734 0.3 . 1 . . . . . 69 GLY CA . 51650 1 275 . 1 . 1 69 69 GLY N N 15 107.913 0.3 . 1 . . . . . 69 GLY N . 51650 1 276 . 1 . 1 70 70 PHE H H 1 7.832 0.02 . 1 . . . . . 70 PHE H . 51650 1 277 . 1 . 1 70 70 PHE C C 13 175.408 0.3 . 1 . . . . . 70 PHE C . 51650 1 278 . 1 . 1 70 70 PHE CA C 13 57.69 0.3 . 1 . . . . . 70 PHE CA . 51650 1 279 . 1 . 1 70 70 PHE CB C 13 39.299 0.3 . 1 . . . . . 70 PHE CB . 51650 1 280 . 1 . 1 70 70 PHE N N 15 119.689 0.3 . 1 . . . . . 70 PHE N . 51650 1 281 . 1 . 1 71 71 PHE H H 1 8.148 0.02 . 1 . . . . . 71 PHE H . 51650 1 282 . 1 . 1 71 71 PHE C C 13 175.777 0.3 . 1 . . . . . 71 PHE C . 51650 1 283 . 1 . 1 71 71 PHE CA C 13 57.471 0.3 . 1 . . . . . 71 PHE CA . 51650 1 284 . 1 . 1 71 71 PHE CB C 13 39.299 0.3 . 1 . . . . . 71 PHE CB . 51650 1 285 . 1 . 1 71 71 PHE N N 15 121.871 0.3 . 1 . . . . . 71 PHE N . 51650 1 286 . 1 . 1 72 72 GLY H H 1 7.751 0.02 . 1 . . . . . 72 GLY H . 51650 1 287 . 1 . 1 72 72 GLY C C 13 174.291 0.3 . 1 . . . . . 72 GLY C . 51650 1 288 . 1 . 1 72 72 GLY CA C 13 45.009 0.3 . 1 . . . . . 72 GLY CA . 51650 1 289 . 1 . 1 72 72 GLY N N 15 110.233 0.3 . 1 . . . . . 72 GLY N . 51650 1 290 . 1 . 1 73 73 GLY H H 1 7.655 0.02 . 1 . . . . . 73 GLY H . 51650 1 291 . 1 . 1 73 73 GLY C C 13 173.753 0.3 . 1 . . . . . 73 GLY C . 51650 1 292 . 1 . 1 73 73 GLY CA C 13 44.899 0.3 . 1 . . . . . 73 GLY CA . 51650 1 293 . 1 . 1 73 73 GLY N N 15 107.778 0.3 . 1 . . . . . 73 GLY N . 51650 1 294 . 1 . 1 74 74 ASN H H 1 8.164 0.02 . 1 . . . . . 74 ASN H . 51650 1 295 . 1 . 1 74 74 ASN C C 13 175.119 0.3 . 1 . . . . . 74 ASN C . 51650 1 296 . 1 . 1 74 74 ASN CA C 13 53.024 0.3 . 1 . . . . . 74 ASN CA . 51650 1 297 . 1 . 1 74 74 ASN CB C 13 38.421 0.3 . 1 . . . . . 74 ASN CB . 51650 1 298 . 1 . 1 74 74 ASN N N 15 118.172 0.3 . 1 . . . . . 74 ASN N . 51650 1 299 . 1 . 1 75 75 ASN H H 1 8.315 0.02 . 1 . . . . . 75 ASN H . 51650 1 300 . 1 . 1 75 75 ASN C C 13 175.689 0.3 . 1 . . . . . 75 ASN C . 51650 1 301 . 1 . 1 75 75 ASN CA C 13 52.914 0.3 . 1 . . . . . 75 ASN CA . 51650 1 302 . 1 . 1 75 75 ASN CB C 13 38.531 0.3 . 1 . . . . . 75 ASN CB . 51650 1 303 . 1 . 1 75 75 ASN N N 15 118.999 0.3 . 1 . . . . . 75 ASN N . 51650 1 304 . 1 . 1 76 76 GLY H H 1 8.179 0.02 . 1 . . . . . 76 GLY H . 51650 1 305 . 1 . 1 76 76 GLY C C 13 174.621 0.3 . 1 . . . . . 76 GLY C . 51650 1 306 . 1 . 1 76 76 GLY CA C 13 45.338 0.3 . 1 . . . . . 76 GLY CA . 51650 1 307 . 1 . 1 76 76 GLY N N 15 108.865 0.3 . 1 . . . . . 76 GLY N . 51650 1 308 . 1 . 1 77 77 GLY H H 1 7.99 0.02 . 1 . . . . . 77 GLY H . 51650 1 309 . 1 . 1 77 77 GLY C C 13 174.034 0.3 . 1 . . . . . 77 GLY C . 51650 1 310 . 1 . 1 77 77 GLY CA C 13 44.899 0.3 . 1 . . . . . 77 GLY CA . 51650 1 311 . 1 . 1 77 77 GLY N N 15 108.335 0.3 . 1 . . . . . 77 GLY N . 51650 1 312 . 1 . 1 78 78 SER H H 1 8.009 0.02 . 1 . . . . . 78 SER H . 51650 1 313 . 1 . 1 78 78 SER C C 13 174.42 0.3 . 1 . . . . . 78 SER C . 51650 1 314 . 1 . 1 78 78 SER CA C 13 58.129 0.3 . 1 . . . . . 78 SER CA . 51650 1 315 . 1 . 1 78 78 SER CB C 13 63.564 0.3 . 1 . . . . . 78 SER CB . 51650 1 316 . 1 . 1 78 78 SER N N 15 115.328 0.3 . 1 . . . . . 78 SER N . 51650 1 317 . 1 . 1 79 79 ARG H H 1 8.213 0.02 . 1 . . . . . 79 ARG H . 51650 1 318 . 1 . 1 79 79 ARG C C 13 176.034 0.3 . 1 . . . . . 79 ARG C . 51650 1 319 . 1 . 1 79 79 ARG CA C 13 55.714 0.3 . 1 . . . . . 79 ARG CA . 51650 1 320 . 1 . 1 79 79 ARG CB C 13 30.625 0.3 . 1 . . . . . 79 ARG CB . 51650 1 321 . 1 . 1 79 79 ARG N N 15 122.683 0.3 . 1 . . . . . 79 ARG N . 51650 1 322 . 1 . 1 80 80 SER H H 1 8.174 0.02 . 1 . . . . . 80 SER H . 51650 1 323 . 1 . 1 80 80 SER C C 13 173.183 0.3 . 1 . . . . . 80 SER C . 51650 1 324 . 1 . 1 80 80 SER CA C 13 58.184 0.3 . 1 . . . . . 80 SER CA . 51650 1 325 . 1 . 1 80 80 SER CB C 13 63.674 0.3 . 1 . . . . . 80 SER CB . 51650 1 326 . 1 . 1 80 80 SER N N 15 117.166 0.3 . 1 . . . . . 80 SER N . 51650 1 327 . 1 . 1 81 81 ASN H H 1 7.873 0.02 . 1 . . . . . 81 ASN H . 51650 1 328 . 1 . 1 81 81 ASN C C 13 179.44 0.3 . 1 . . . . . 81 ASN C . 51650 1 329 . 1 . 1 81 81 ASN CA C 13 54.561 0.3 . 1 . . . . . 81 ASN CA . 51650 1 330 . 1 . 1 81 81 ASN CB C 13 39.848 0.3 . 1 . . . . . 81 ASN CB . 51650 1 331 . 1 . 1 81 81 ASN N N 15 125.598 0.3 . 1 . . . . . 81 ASN N . 51650 1 stop_ save_