data_27984 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27984 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Cezanne UBA domain (residues 2-55) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-07-23 _Entry.Accession_date 2019-07-23 _Entry.Last_release_date 2019-07-23 _Entry.Original_release_date 2019-07-23 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Vladimir Rogov . V. . . 27984 2 Jessica Huber . . . . 27984 3 Volker Doetsch . . . . 27984 4 Julia Mader . . . . 27984 5 Anja Bremm . . . . 27984 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institute of Biophysical Chemistry and Center for Biomolecular Magnetic Resonance, Goethe University Frankfurt' . 27984 2 . 'Institute of Biochemistry II, Goethe University Frankfurt' . 27984 3 . 'Buchmann Institute for Molecular Life Sciences, Goethe University Frankfurt' . 27984 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27984 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 102 27984 '15N chemical shifts' 52 27984 '1H chemical shifts' 52 27984 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2020-03-31 2019-07-23 update BMRB 'update entry citation' 27984 1 . . 2020-01-15 2019-07-23 original author 'original release' 27984 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27984 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31937588 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Oxygen-dependent asparagine hydroxylation of the ubiquitin-associated (UBA) domain in Cezanne regulates ubiquitin binding ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 295 _Citation.Journal_issue 8 _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 2160 _Citation.Page_last 2174 _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Julia Mader . . . . 27984 1 2 Jessica Huber . . . . 27984 1 3 Florian Bonn . . . . 27984 1 4 Volker Doetsch . . . . 27984 1 5 Vladimir Rogov . V. . . 27984 1 6 Anja Bremm . . . . 27984 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27984 _Assembly.ID 1 _Assembly.Name 'Cezanne UBA domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 5838.46 _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 'Cezanne UBA domain' 1 $Cezanne_UBA_domain A . yes native no no 1 'UBA domain' . 27984 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Cezanne_UBA_domain _Entity.Sf_category entity _Entity.Sf_framecode Cezanne_UBA_domain _Entity.Entry_ID 27984 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Cezanne_UBA_domain _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 ; MTLDMDAVLSDFVRSTGAEP GLARDLLEGKNWDVNAALSD FEQLRQVHAGNLPPS ; _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 55 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'UBA domain' _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Hydrolase, Protease, Thiol protease' 27984 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 27984 1 2 . THR . 27984 1 3 . LEU . 27984 1 4 . ASP . 27984 1 5 . MET . 27984 1 6 . ASP . 27984 1 7 . ALA . 27984 1 8 . VAL . 27984 1 9 . LEU . 27984 1 10 . SER . 27984 1 11 . ASP . 27984 1 12 . PHE . 27984 1 13 . VAL . 27984 1 14 . ARG . 27984 1 15 . SER . 27984 1 16 . THR . 27984 1 17 . GLY . 27984 1 18 . ALA . 27984 1 19 . GLU . 27984 1 20 . PRO . 27984 1 21 . GLY . 27984 1 22 . LEU . 27984 1 23 . ALA . 27984 1 24 . ARG . 27984 1 25 . ASP . 27984 1 26 . LEU . 27984 1 27 . LEU . 27984 1 28 . GLU . 27984 1 29 . GLY . 27984 1 30 . LYS . 27984 1 31 . ASN . 27984 1 32 . TRP . 27984 1 33 . ASP . 27984 1 34 . VAL . 27984 1 35 . ASN . 27984 1 36 . ALA . 27984 1 37 . ALA . 27984 1 38 . LEU . 27984 1 39 . SER . 27984 1 40 . ASP . 27984 1 41 . PHE . 27984 1 42 . GLU . 27984 1 43 . GLN . 27984 1 44 . LEU . 27984 1 45 . ARG . 27984 1 46 . GLN . 27984 1 47 . VAL . 27984 1 48 . HIS . 27984 1 49 . ALA . 27984 1 50 . GLY . 27984 1 51 . ASN . 27984 1 52 . LEU . 27984 1 53 . PRO . 27984 1 54 . PRO . 27984 1 55 . SER . 27984 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 27984 1 . THR 2 2 27984 1 . LEU 3 3 27984 1 . ASP 4 4 27984 1 . MET 5 5 27984 1 . ASP 6 6 27984 1 . ALA 7 7 27984 1 . VAL 8 8 27984 1 . LEU 9 9 27984 1 . SER 10 10 27984 1 . ASP 11 11 27984 1 . PHE 12 12 27984 1 . VAL 13 13 27984 1 . ARG 14 14 27984 1 . SER 15 15 27984 1 . THR 16 16 27984 1 . GLY 17 17 27984 1 . ALA 18 18 27984 1 . GLU 19 19 27984 1 . PRO 20 20 27984 1 . GLY 21 21 27984 1 . LEU 22 22 27984 1 . ALA 23 23 27984 1 . ARG 24 24 27984 1 . ASP 25 25 27984 1 . LEU 26 26 27984 1 . LEU 27 27 27984 1 . GLU 28 28 27984 1 . GLY 29 29 27984 1 . LYS 30 30 27984 1 . ASN 31 31 27984 1 . TRP 32 32 27984 1 . ASP 33 33 27984 1 . VAL 34 34 27984 1 . ASN 35 35 27984 1 . ALA 36 36 27984 1 . ALA 37 37 27984 1 . LEU 38 38 27984 1 . SER 39 39 27984 1 . ASP 40 40 27984 1 . PHE 41 41 27984 1 . GLU 42 42 27984 1 . GLN 43 43 27984 1 . LEU 44 44 27984 1 . ARG 45 45 27984 1 . GLN 46 46 27984 1 . VAL 47 47 27984 1 . HIS 48 48 27984 1 . ALA 49 49 27984 1 . GLY 50 50 27984 1 . ASN 51 51 27984 1 . LEU 52 52 27984 1 . PRO 53 53 27984 1 . PRO 54 54 27984 1 . SER 55 55 27984 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27984 _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 $Cezanne_UBA_domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27984 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27984 _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 $Cezanne_UBA_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Rosetta DE3' . . . . . pOPINK . . . 27984 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27984 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 'Cezanne UBA domain' '[U-98% 13C; U-98% 15N]' . . 1 $Cezanne_UBA_domain . . 0.8 . . mM . . . . 27984 1 2 HEPES 'natural abundance' . . . . . . 25 . . mM . . . . 27984 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27984 1 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 27984 1 5 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 27984 1 6 'protease inhibitors cocktail' 'natural abundance' . . . . . . 5 . . mM . . . . 27984 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 27984 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 0.05 . M 27984 1 pH 7.5 . pH 27984 1 pressure 1 . atm 27984 1 temperature 298 . K 27984 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27984 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27984 1 Goddard . . 27984 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27984 1 . collection 27984 1 . 'data analysis' 27984 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27984 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27984 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27984 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 27984 1 2 spectrometer_2 Bruker Avance . 600 . . . 27984 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27984 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27984 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27984 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27984 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27984 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27984 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27984 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27984 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27984 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27984 1 3 '3D HNCACB' . . . 27984 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 $TOPSPIN . . 27984 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 2 2 THR H H 1 8.327 0.03 . 1 . . . . . 2 THR HN . 27984 1 2 . 1 . 1 2 2 THR CA C 13 62.020 0.1 . 1 . . . . . 2 THR CA . 27984 1 3 . 1 . 1 2 2 THR CB C 13 69.757 0.1 . 1 . . . . . 2 THR CB . 27984 1 4 . 1 . 1 2 2 THR N N 15 115.504 0.1 . 1 . . . . . 2 THR N . 27984 1 5 . 1 . 1 3 3 LEU H H 1 8.166 0.03 . 1 . . . . . 3 LEU HN . 27984 1 6 . 1 . 1 3 3 LEU CA C 13 55.246 0.1 . 1 . . . . . 3 LEU CA . 27984 1 7 . 1 . 1 3 3 LEU CB C 13 42.907 0.1 . 1 . . . . . 3 LEU CB . 27984 1 8 . 1 . 1 3 3 LEU N N 15 125.419 0.1 . 1 . . . . . 3 LEU N . 27984 1 9 . 1 . 1 4 4 ASP H H 1 8.460 0.03 . 1 . . . . . 4 ASP HN . 27984 1 10 . 1 . 1 4 4 ASP CA C 13 52.763 0.1 . 1 . . . . . 4 ASP CA . 27984 1 11 . 1 . 1 4 4 ASP CB C 13 40.419 0.1 . 1 . . . . . 4 ASP CB . 27984 1 12 . 1 . 1 4 4 ASP N N 15 124.320 0.1 . 1 . . . . . 4 ASP N . 27984 1 13 . 1 . 1 5 5 MET H H 1 8.173 0.03 . 1 . . . . . 5 MET HN . 27984 1 14 . 1 . 1 5 5 MET CA C 13 59.212 0.1 . 1 . . . . . 5 MET CA . 27984 1 15 . 1 . 1 5 5 MET CB C 13 32.510 0.1 . 1 . . . . . 5 MET CB . 27984 1 16 . 1 . 1 5 5 MET N N 15 122.867 0.1 . 1 . . . . . 5 MET N . 27984 1 17 . 1 . 1 6 6 ASP H H 1 8.019 0.03 . 1 . . . . . 6 ASP HN . 27984 1 18 . 1 . 1 6 6 ASP CA C 13 57.695 0.1 . 1 . . . . . 6 ASP CA . 27984 1 19 . 1 . 1 6 6 ASP CB C 13 40.403 0.1 . 1 . . . . . 6 ASP CB . 27984 1 20 . 1 . 1 6 6 ASP N N 15 118.053 0.1 . 1 . . . . . 6 ASP N . 27984 1 21 . 1 . 1 7 7 ALA H H 1 7.738 0.03 . 1 . . . . . 7 ALA HN . 27984 1 22 . 1 . 1 7 7 ALA CA C 13 54.884 0.1 . 1 . . . . . 7 ALA CA . 27984 1 23 . 1 . 1 7 7 ALA CB C 13 18.374 0.1 . 1 . . . . . 7 ALA CB . 27984 1 24 . 1 . 1 7 7 ALA N N 15 124.459 0.1 . 1 . . . . . 7 ALA N . 27984 1 25 . 1 . 1 8 8 VAL H H 1 8.087 0.03 . 1 . . . . . 8 VAL HN . 27984 1 26 . 1 . 1 8 8 VAL CA C 13 66.516 0.1 . 1 . . . . . 8 VAL CA . 27984 1 27 . 1 . 1 8 8 VAL CB C 13 32.090 0.1 . 1 . . . . . 8 VAL CB . 27984 1 28 . 1 . 1 8 8 VAL N N 15 119.653 0.1 . 1 . . . . . 8 VAL N . 27984 1 29 . 1 . 1 9 9 LEU H H 1 8.611 0.03 . 1 . . . . . 9 LEU HN . 27984 1 30 . 1 . 1 9 9 LEU CA C 13 58.743 0.1 . 1 . . . . . 9 LEU CA . 27984 1 31 . 1 . 1 9 9 LEU CB C 13 42.195 0.1 . 1 . . . . . 9 LEU CB . 27984 1 32 . 1 . 1 9 9 LEU N N 15 121.277 0.1 . 1 . . . . . 9 LEU N . 27984 1 33 . 1 . 1 10 10 SER H H 1 8.179 0.03 . 1 . . . . . 10 SER HN . 27984 1 34 . 1 . 1 10 10 SER CA C 13 61.921 0.1 . 1 . . . . . 10 SER CA . 27984 1 35 . 1 . 1 10 10 SER CB C 13 62.810 0.1 . 1 . . . . . 10 SER CB . 27984 1 36 . 1 . 1 10 10 SER N N 15 113.468 0.1 . 1 . . . . . 10 SER N . 27984 1 37 . 1 . 1 11 11 ASP H H 1 8.320 0.03 . 1 . . . . . 11 ASP HN . 27984 1 38 . 1 . 1 11 11 ASP CA C 13 57.531 0.1 . 1 . . . . . 11 ASP CA . 27984 1 39 . 1 . 1 11 11 ASP CB C 13 40.790 0.1 . 1 . . . . . 11 ASP CB . 27984 1 40 . 1 . 1 11 11 ASP N N 15 122.277 0.1 . 1 . . . . . 11 ASP N . 27984 1 41 . 1 . 1 12 12 PHE H H 1 8.623 0.03 . 1 . . . . . 12 PHE HN . 27984 1 42 . 1 . 1 12 12 PHE CA C 13 61.795 0.1 . 1 . . . . . 12 PHE CA . 27984 1 43 . 1 . 1 12 12 PHE CB C 13 40.393 0.1 . 1 . . . . . 12 PHE CB . 27984 1 44 . 1 . 1 12 12 PHE N N 15 123.558 0.1 . 1 . . . . . 12 PHE N . 27984 1 45 . 1 . 1 13 13 VAL H H 1 8.951 0.03 . 1 . . . . . 13 VAL HN . 27984 1 46 . 1 . 1 13 13 VAL CA C 13 67.066 0.1 . 1 . . . . . 13 VAL CA . 27984 1 47 . 1 . 1 13 13 VAL CB C 13 32.285 0.1 . 1 . . . . . 13 VAL CB . 27984 1 48 . 1 . 1 13 13 VAL N N 15 122.993 0.1 . 1 . . . . . 13 VAL N . 27984 1 49 . 1 . 1 14 14 ARG H H 1 8.200 0.03 . 1 . . . . . 14 ARG HN . 27984 1 50 . 1 . 1 14 14 ARG CA C 13 59.680 0.1 . 1 . . . . . 14 ARG CA . 27984 1 51 . 1 . 1 14 14 ARG CB C 13 30.041 0.1 . 1 . . . . . 14 ARG CB . 27984 1 52 . 1 . 1 14 14 ARG N N 15 121.128 0.1 . 1 . . . . . 14 ARG N . 27984 1 53 . 1 . 1 15 15 SER H H 1 8.029 0.03 . 1 . . . . . 15 SER HN . 27984 1 54 . 1 . 1 15 15 SER CA C 13 61.230 0.1 . 1 . . . . . 15 SER CA . 27984 1 55 . 1 . 1 15 15 SER CB C 13 63.651 0.1 . 1 . . . . . 15 SER CB . 27984 1 56 . 1 . 1 15 15 SER N N 15 112.107 0.1 . 1 . . . . . 15 SER N . 27984 1 57 . 1 . 1 16 16 THR H H 1 7.461 0.03 . 1 . . . . . 16 THR HN . 27984 1 58 . 1 . 1 16 16 THR CA C 13 62.575 0.1 . 1 . . . . . 16 THR CA . 27984 1 59 . 1 . 1 16 16 THR CB C 13 71.382 0.1 . 1 . . . . . 16 THR CB . 27984 1 60 . 1 . 1 16 16 THR N N 15 107.610 0.1 . 1 . . . . . 16 THR N . 27984 1 61 . 1 . 1 17 17 GLY H H 1 8.428 0.03 . 1 . . . . . 17 GLY HN . 27984 1 62 . 1 . 1 17 17 GLY CA C 13 45.502 0.1 . 1 . . . . . 17 GLY CA . 27984 1 63 . 1 . 1 17 17 GLY N N 15 111.486 0.1 . 1 . . . . . 17 GLY N . 27984 1 64 . 1 . 1 18 18 ALA H H 1 7.809 0.03 . 1 . . . . . 18 ALA HN . 27984 1 65 . 1 . 1 18 18 ALA CA C 13 51.845 0.1 . 1 . . . . . 18 ALA CA . 27984 1 66 . 1 . 1 18 18 ALA CB C 13 19.796 0.1 . 1 . . . . . 18 ALA CB . 27984 1 67 . 1 . 1 18 18 ALA N N 15 122.206 0.1 . 1 . . . . . 18 ALA N . 27984 1 68 . 1 . 1 19 19 GLU H H 1 8.362 0.03 . 1 . . . . . 19 GLU HN . 27984 1 69 . 1 . 1 19 19 GLU CA C 13 55.232 0.1 . 1 . . . . . 19 GLU CA . 27984 1 70 . 1 . 1 19 19 GLU CB C 13 29.755 0.1 . 1 . . . . . 19 GLU CB . 27984 1 71 . 1 . 1 19 19 GLU N N 15 122.488 0.1 . 1 . . . . . 19 GLU N . 27984 1 72 . 1 . 1 20 20 PRO CA C 13 66.245 0.1 . 1 . . . . . 20 PRO CA . 27984 1 73 . 1 . 1 20 20 PRO CB C 13 32.063 0.1 . 1 . . . . . 20 PRO CB . 27984 1 74 . 1 . 1 21 21 GLY H H 1 8.771 0.03 . 1 . . . . . 21 GLY HN . 27984 1 75 . 1 . 1 21 21 GLY CA C 13 47.272 0.1 . 1 . . . . . 21 GLY CA . 27984 1 76 . 1 . 1 21 21 GLY N N 15 107.741 0.1 . 1 . . . . . 21 GLY N . 27984 1 77 . 1 . 1 22 22 LEU H H 1 7.351 0.03 . 1 . . . . . 22 LEU HN . 27984 1 78 . 1 . 1 22 22 LEU CA C 13 57.484 0.1 . 1 . . . . . 22 LEU CA . 27984 1 79 . 1 . 1 22 22 LEU CB C 13 41.827 0.1 . 1 . . . . . 22 LEU CB . 27984 1 80 . 1 . 1 22 22 LEU N N 15 124.614 0.1 . 1 . . . . . 22 LEU N . 27984 1 81 . 1 . 1 23 23 ALA H H 1 8.455 0.03 . 1 . . . . . 23 ALA HN . 27984 1 82 . 1 . 1 23 23 ALA CA C 13 55.267 0.1 . 1 . . . . . 23 ALA CA . 27984 1 83 . 1 . 1 23 23 ALA CB C 13 19.807 0.1 . 1 . . . . . 23 ALA CB . 27984 1 84 . 1 . 1 23 23 ALA N N 15 119.272 0.1 . 1 . . . . . 23 ALA N . 27984 1 85 . 1 . 1 24 24 ARG H H 1 8.083 0.03 . 1 . . . . . 24 ARG HN . 27984 1 86 . 1 . 1 24 24 ARG CA C 13 60.014 0.1 . 1 . . . . . 24 ARG CA . 27984 1 87 . 1 . 1 24 24 ARG CB C 13 29.569 0.1 . 1 . . . . . 24 ARG CB . 27984 1 88 . 1 . 1 24 24 ARG N N 15 116.714 0.1 . 1 . . . . . 24 ARG N . 27984 1 89 . 1 . 1 25 25 ASP H H 1 7.696 0.03 . 1 . . . . . 25 ASP HN . 27984 1 90 . 1 . 1 25 25 ASP CA C 13 57.660 0.1 . 1 . . . . . 25 ASP CA . 27984 1 91 . 1 . 1 25 25 ASP CB C 13 40.276 0.1 . 1 . . . . . 25 ASP CB . 27984 1 92 . 1 . 1 25 25 ASP N N 15 119.421 0.1 . 1 . . . . . 25 ASP N . 27984 1 93 . 1 . 1 26 26 LEU H H 1 8.387 0.03 . 1 . . . . . 26 LEU HN . 27984 1 94 . 1 . 1 26 26 LEU CA C 13 57.067 0.1 . 1 . . . . . 26 LEU CA . 27984 1 95 . 1 . 1 26 26 LEU CB C 13 41.968 0.1 . 1 . . . . . 26 LEU CB . 27984 1 96 . 1 . 1 26 26 LEU N N 15 120.880 0.1 . 1 . . . . . 26 LEU N . 27984 1 97 . 1 . 1 27 27 LEU H H 1 7.845 0.03 . 1 . . . . . 27 LEU HN . 27984 1 98 . 1 . 1 27 27 LEU CA C 13 58.097 0.1 . 1 . . . . . 27 LEU CA . 27984 1 99 . 1 . 1 27 27 LEU CB C 13 40.011 0.1 . 1 . . . . . 27 LEU CB . 27984 1 100 . 1 . 1 27 27 LEU N N 15 119.730 0.1 . 1 . . . . . 27 LEU N . 27984 1 101 . 1 . 1 28 28 GLU H H 1 8.623 0.03 . 1 . . . . . 28 GLU HN . 27984 1 102 . 1 . 1 28 28 GLU CA C 13 59.846 0.1 . 1 . . . . . 28 GLU CA . 27984 1 103 . 1 . 1 28 28 GLU CB C 13 29.368 0.1 . 1 . . . . . 28 GLU CB . 27984 1 104 . 1 . 1 28 28 GLU N N 15 120.602 0.1 . 1 . . . . . 28 GLU N . 27984 1 105 . 1 . 1 29 29 GLY H H 1 7.913 0.03 . 1 . . . . . 29 GLY HN . 27984 1 106 . 1 . 1 29 29 GLY CA C 13 46.528 0.1 . 1 . . . . . 29 GLY CA . 27984 1 107 . 1 . 1 29 29 GLY N N 15 106.766 0.1 . 1 . . . . . 29 GLY N . 27984 1 108 . 1 . 1 30 30 LYS H H 1 6.944 0.03 . 1 . . . . . 30 LYS HN . 27984 1 109 . 1 . 1 30 30 LYS CA C 13 52.646 0.1 . 1 . . . . . 30 LYS CA . 27984 1 110 . 1 . 1 30 30 LYS CB C 13 32.003 0.1 . 1 . . . . . 30 LYS CB . 27984 1 111 . 1 . 1 30 30 LYS N N 15 117.189 0.1 . 1 . . . . . 30 LYS N . 27984 1 112 . 1 . 1 31 31 ASN H H 1 8.080 0.03 . 1 . . . . . 31 ASN HN . 27984 1 113 . 1 . 1 31 31 ASN CA C 13 55.266 0.1 . 1 . . . . . 31 ASN CA . 27984 1 114 . 1 . 1 31 31 ASN CB C 13 37.177 0.1 . 1 . . . . . 31 ASN CB . 27984 1 115 . 1 . 1 31 31 ASN N N 15 118.979 0.1 . 1 . . . . . 31 ASN N . 27984 1 116 . 1 . 1 32 32 TRP H H 1 8.794 0.03 . 1 . . . . . 32 TRP HN . 27984 1 117 . 1 . 1 32 32 TRP HE1 H 1 10.366 0.03 . 1 . . . . . 32 TRP HE1 . 27984 1 118 . 1 . 1 32 32 TRP CA C 13 59.865 0.1 . 1 . . . . . 32 TRP CA . 27984 1 119 . 1 . 1 32 32 TRP CB C 13 24.084 0.1 . 1 . . . . . 32 TRP CB . 27984 1 120 . 1 . 1 32 32 TRP N N 15 109.479 0.1 . 1 . . . . . 32 TRP N . 27984 1 121 . 1 . 1 32 32 TRP NE1 N 15 130.180 0.1 . 1 . . . . . 32 TRP NE1 . 27984 1 122 . 1 . 1 33 33 ASP H H 1 7.127 0.03 . 1 . . . . . 33 ASP HN . 27984 1 123 . 1 . 1 33 33 ASP CA C 13 53.247 0.1 . 1 . . . . . 33 ASP CA . 27984 1 124 . 1 . 1 33 33 ASP CB C 13 40.911 0.1 . 1 . . . . . 33 ASP CB . 27984 1 125 . 1 . 1 33 33 ASP N N 15 118.121 0.1 . 1 . . . . . 33 ASP N . 27984 1 126 . 1 . 1 34 34 VAL H H 1 8.258 0.03 . 1 . . . . . 34 VAL HN . 27984 1 127 . 1 . 1 34 34 VAL CA C 13 66.520 0.1 . 1 . . . . . 34 VAL CA . 27984 1 128 . 1 . 1 34 34 VAL CB C 13 32.245 0.1 . 1 . . . . . 34 VAL CB . 27984 1 129 . 1 . 1 34 34 VAL N N 15 127.171 0.1 . 1 . . . . . 34 VAL N . 27984 1 130 . 1 . 1 35 35 ASN H H 1 8.134 0.03 . 1 . . . . . 35 ASN HN . 27984 1 131 . 1 . 1 35 35 ASN CA C 13 56.666 0.1 . 1 . . . . . 35 ASN CA . 27984 1 132 . 1 . 1 35 35 ASN CB C 13 38.028 0.1 . 1 . . . . . 35 ASN CB . 27984 1 133 . 1 . 1 35 35 ASN N N 15 117.577 0.1 . 1 . . . . . 35 ASN N . 27984 1 134 . 1 . 1 36 36 ALA H H 1 8.022 0.03 . 1 . . . . . 36 ALA HN . 27984 1 135 . 1 . 1 36 36 ALA CA C 13 54.523 0.1 . 1 . . . . . 36 ALA CA . 27984 1 136 . 1 . 1 36 36 ALA CB C 13 18.400 0.1 . 1 . . . . . 36 ALA CB . 27984 1 137 . 1 . 1 36 36 ALA N N 15 124.214 0.1 . 1 . . . . . 36 ALA N . 27984 1 138 . 1 . 1 37 37 ALA H H 1 8.316 0.03 . 1 . . . . . 37 ALA HN . 27984 1 139 . 1 . 1 37 37 ALA CA C 13 55.369 0.1 . 1 . . . . . 37 ALA CA . 27984 1 140 . 1 . 1 37 37 ALA CB C 13 18.591 0.1 . 1 . . . . . 37 ALA CB . 27984 1 141 . 1 . 1 37 37 ALA N N 15 121.403 0.1 . 1 . . . . . 37 ALA N . 27984 1 142 . 1 . 1 38 38 LEU H H 1 8.910 0.03 . 1 . . . . . 38 LEU HN . 27984 1 143 . 1 . 1 38 38 LEU CA C 13 58.404 0.1 . 1 . . . . . 38 LEU CA . 27984 1 144 . 1 . 1 38 38 LEU CB C 13 42.055 0.1 . 1 . . . . . 38 LEU CB . 27984 1 145 . 1 . 1 38 38 LEU N N 15 120.283 0.1 . 1 . . . . . 38 LEU N . 27984 1 146 . 1 . 1 39 39 SER H H 1 7.750 0.03 . 1 . . . . . 39 SER HN . 27984 1 147 . 1 . 1 39 39 SER CA C 13 61.605 0.1 . 1 . . . . . 39 SER CA . 27984 1 148 . 1 . 1 39 39 SER CB C 13 62.460 0.1 . 1 . . . . . 39 SER CB . 27984 1 149 . 1 . 1 39 39 SER N N 15 114.701 0.1 . 1 . . . . . 39 SER N . 27984 1 150 . 1 . 1 40 40 ASP H H 1 7.952 0.03 . 1 . . . . . 40 ASP HN . 27984 1 151 . 1 . 1 40 40 ASP CA C 13 57.376 0.1 . 1 . . . . . 40 ASP CA . 27984 1 152 . 1 . 1 40 40 ASP CB C 13 40.415 0.1 . 1 . . . . . 40 ASP CB . 27984 1 153 . 1 . 1 40 40 ASP N N 15 122.186 0.1 . 1 . . . . . 40 ASP N . 27984 1 154 . 1 . 1 41 41 PHE H H 1 8.667 0.03 . 1 . . . . . 41 PHE HN . 27984 1 155 . 1 . 1 41 41 PHE CA C 13 62.011 0.1 . 1 . . . . . 41 PHE CA . 27984 1 156 . 1 . 1 41 41 PHE CB C 13 39.270 0.1 . 1 . . . . . 41 PHE CB . 27984 1 157 . 1 . 1 41 41 PHE N N 15 121.848 0.1 . 1 . . . . . 41 PHE N . 27984 1 158 . 1 . 1 42 42 GLU H H 1 8.385 0.03 . 1 . . . . . 42 GLU HN . 27984 1 159 . 1 . 1 42 42 GLU CA C 13 58.978 0.1 . 1 . . . . . 42 GLU CA . 27984 1 160 . 1 . 1 42 42 GLU CB C 13 29.259 0.1 . 1 . . . . . 42 GLU CB . 27984 1 161 . 1 . 1 42 42 GLU N N 15 118.629 0.1 . 1 . . . . . 42 GLU N . 27984 1 162 . 1 . 1 43 43 GLN H H 1 7.773 0.03 . 1 . . . . . 43 GLN HN . 27984 1 163 . 1 . 1 43 43 GLN CA C 13 58.193 0.1 . 1 . . . . . 43 GLN CA . 27984 1 164 . 1 . 1 43 43 GLN CB C 13 28.654 0.1 . 1 . . . . . 43 GLN CB . 27984 1 165 . 1 . 1 43 43 GLN N N 15 117.330 0.1 . 1 . . . . . 43 GLN N . 27984 1 166 . 1 . 1 44 44 LEU H H 1 7.735 0.03 . 1 . . . . . 44 LEU HN . 27984 1 167 . 1 . 1 44 44 LEU CA C 13 56.949 0.1 . 1 . . . . . 44 LEU CA . 27984 1 168 . 1 . 1 44 44 LEU CB C 13 41.996 0.1 . 1 . . . . . 44 LEU CB . 27984 1 169 . 1 . 1 44 44 LEU N N 15 120.206 0.1 . 1 . . . . . 44 LEU N . 27984 1 170 . 1 . 1 45 45 ARG H H 1 7.744 0.03 . 1 . . . . . 45 ARG HN . 27984 1 171 . 1 . 1 45 45 ARG CA C 13 57.483 0.1 . 1 . . . . . 45 ARG CA . 27984 1 172 . 1 . 1 45 45 ARG CB C 13 29.984 0.1 . 1 . . . . . 45 ARG CB . 27984 1 173 . 1 . 1 45 45 ARG N N 15 118.448 0.1 . 1 . . . . . 45 ARG N . 27984 1 174 . 1 . 1 46 46 GLN H H 1 7.798 0.03 . 1 . . . . . 46 GLN HN . 27984 1 175 . 1 . 1 46 46 GLN CA C 13 56.981 0.1 . 1 . . . . . 46 GLN CA . 27984 1 176 . 1 . 1 46 46 GLN CB C 13 28.895 0.1 . 1 . . . . . 46 GLN CB . 27984 1 177 . 1 . 1 46 46 GLN N N 15 118.592 0.1 . 1 . . . . . 46 GLN N . 27984 1 178 . 1 . 1 47 47 VAL H H 1 7.853 0.03 . 1 . . . . . 47 VAL HN . 27984 1 179 . 1 . 1 47 47 VAL CA C 13 63.651 0.1 . 1 . . . . . 47 VAL CA . 27984 1 180 . 1 . 1 47 47 VAL CB C 13 32.322 0.1 . 1 . . . . . 47 VAL CB . 27984 1 181 . 1 . 1 47 47 VAL N N 15 119.923 0.1 . 1 . . . . . 47 VAL N . 27984 1 182 . 1 . 1 48 48 HIS H H 1 8.151 0.03 . 1 . . . . . 48 HIS HN . 27984 1 183 . 1 . 1 48 48 HIS CA C 13 56.569 0.1 . 1 . . . . . 48 HIS CA . 27984 1 184 . 1 . 1 48 48 HIS CB C 13 30.665 0.1 . 1 . . . . . 48 HIS CB . 27984 1 185 . 1 . 1 48 48 HIS N N 15 121.579 0.1 . 1 . . . . . 48 HIS N . 27984 1 186 . 1 . 1 49 49 ALA H H 1 8.140 0.03 . 1 . . . . . 49 ALA HN . 27984 1 187 . 1 . 1 49 49 ALA CA C 13 53.040 0.1 . 1 . . . . . 49 ALA CA . 27984 1 188 . 1 . 1 49 49 ALA CB C 13 19.043 0.1 . 1 . . . . . 49 ALA CB . 27984 1 189 . 1 . 1 49 49 ALA N N 15 124.293 0.1 . 1 . . . . . 49 ALA N . 27984 1 190 . 1 . 1 50 50 GLY H H 1 8.283 0.03 . 1 . . . . . 50 GLY HN . 27984 1 191 . 1 . 1 50 50 GLY CA C 13 45.352 0.1 . 1 . . . . . 50 GLY CA . 27984 1 192 . 1 . 1 50 50 GLY N N 15 107.212 0.1 . 1 . . . . . 50 GLY N . 27984 1 193 . 1 . 1 51 51 ASN H H 1 8.173 0.03 . 1 . . . . . 51 ASN HN . 27984 1 194 . 1 . 1 51 51 ASN CA C 13 53.031 0.1 . 1 . . . . . 51 ASN CA . 27984 1 195 . 1 . 1 51 51 ASN CB C 13 39.096 0.1 . 1 . . . . . 51 ASN CB . 27984 1 196 . 1 . 1 51 51 ASN N N 15 118.319 0.1 . 1 . . . . . 51 ASN N . 27984 1 197 . 1 . 1 52 52 LEU H H 1 8.117 0.03 . 1 . . . . . 52 LEU HN . 27984 1 198 . 1 . 1 52 52 LEU CA C 13 53.155 0.1 . 1 . . . . . 52 LEU CA . 27984 1 199 . 1 . 1 52 52 LEU CB C 13 41.723 0.1 . 1 . . . . . 52 LEU CB . 27984 1 200 . 1 . 1 52 52 LEU N N 15 123.435 0.1 . 1 . . . . . 52 LEU N . 27984 1 201 . 1 . 1 54 54 PRO CA C 13 63.309 0.1 . 1 . . . . . 54 PRO CA . 27984 1 202 . 1 . 1 54 54 PRO CB C 13 31.983 0.1 . 1 . . . . . 54 PRO CB . 27984 1 203 . 1 . 1 55 55 SER H H 1 7.961 0.03 . 1 . . . . . 55 SER HN . 27984 1 204 . 1 . 1 55 55 SER CA C 13 59.939 0.1 . 1 . . . . . 55 SER CA . 27984 1 205 . 1 . 1 55 55 SER CB C 13 64.969 0.1 . 1 . . . . . 55 SER CB . 27984 1 206 . 1 . 1 55 55 SER N N 15 121.675 0.1 . 1 . . . . . 55 SER N . 27984 1 stop_ save_