data_50866 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50866 _Entry.Title ; CITED2-HIF-1alpha fusion peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-03-31 _Entry.Accession_date 2021-03-31 _Entry.Last_release_date 2021-03-31 _Entry.Original_release_date 2021-03-31 _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 Francis Appling . D. . . 50866 2 Rebecca Berlow . B. . . 50866 3 Robyn Stanfield . L. . . 50866 4 'H Jane' Dyson . . . . 50866 5 Peter Wright . E. . . 50866 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50866 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 188 50866 '15N chemical shifts' 61 50866 '1H chemical shifts' 61 50866 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 . . 2021-12-30 2021-03-31 update BMRB 'update entry citation' 50866 1 . . 2021-07-24 2021-03-31 original author 'original release' 50866 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50865 'Complex of the CBP TAZ1 domain and a CITED2-HIF-1alpha fusion peptide' 50866 BMRB 50867 'Complex of the CBP TAZ1 domain and a CITED2-HIF-1alpha fusion peptide (L63A)' 50866 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50866 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34520739 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The molecular basis of allostery in a facilitated dissociation process ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue 12 _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 1327 _Citation.Page_last 1338 _Citation.Year 2021 _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 Francis Appling . D. . . 50866 1 2 Rebecca Berlow . B. . . 50866 1 3 Robyn Stanfield . L. . . 50866 1 4 'H Jane' Dyson . . . . 50866 1 5 Peter Wright . E. . . 50866 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50866 _Assembly.ID 1 _Assembly.Name 'CITED2-HIF-1alpha fusion peptide' _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 'CITED2-HIF-1alpha fusion peptide' 1 $entity_1 . . yes native no no . . . 50866 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50866 _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 ; GSHMSNVIDTDFIDEEVLMS LVIEMGLDRIKELPELTSYD CEVNAPIQGSRNLLQGEELL RALDQVN ; _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 67 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 . GLY . 50866 1 2 . SER . 50866 1 3 . HIS . 50866 1 4 . MET . 50866 1 5 . SER . 50866 1 6 . ASN . 50866 1 7 . VAL . 50866 1 8 . ILE . 50866 1 9 . ASP . 50866 1 10 . THR . 50866 1 11 . ASP . 50866 1 12 . PHE . 50866 1 13 . ILE . 50866 1 14 . ASP . 50866 1 15 . GLU . 50866 1 16 . GLU . 50866 1 17 . VAL . 50866 1 18 . LEU . 50866 1 19 . MET . 50866 1 20 . SER . 50866 1 21 . LEU . 50866 1 22 . VAL . 50866 1 23 . ILE . 50866 1 24 . GLU . 50866 1 25 . MET . 50866 1 26 . GLY . 50866 1 27 . LEU . 50866 1 28 . ASP . 50866 1 29 . ARG . 50866 1 30 . ILE . 50866 1 31 . LYS . 50866 1 32 . GLU . 50866 1 33 . LEU . 50866 1 34 . PRO . 50866 1 35 . GLU . 50866 1 36 . LEU . 50866 1 37 . THR . 50866 1 38 . SER . 50866 1 39 . TYR . 50866 1 40 . ASP . 50866 1 41 . CYS . 50866 1 42 . GLU . 50866 1 43 . VAL . 50866 1 44 . ASN . 50866 1 45 . ALA . 50866 1 46 . PRO . 50866 1 47 . ILE . 50866 1 48 . GLN . 50866 1 49 . GLY . 50866 1 50 . SER . 50866 1 51 . ARG . 50866 1 52 . ASN . 50866 1 53 . LEU . 50866 1 54 . LEU . 50866 1 55 . GLN . 50866 1 56 . GLY . 50866 1 57 . GLU . 50866 1 58 . GLU . 50866 1 59 . LEU . 50866 1 60 . LEU . 50866 1 61 . ARG . 50866 1 62 . ALA . 50866 1 63 . LEU . 50866 1 64 . ASP . 50866 1 65 . GLN . 50866 1 66 . VAL . 50866 1 67 . ASN . 50866 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 . GLY 1 1 50866 1 . SER 2 2 50866 1 . HIS 3 3 50866 1 . MET 4 4 50866 1 . SER 5 5 50866 1 . ASN 6 6 50866 1 . VAL 7 7 50866 1 . ILE 8 8 50866 1 . ASP 9 9 50866 1 . THR 10 10 50866 1 . ASP 11 11 50866 1 . PHE 12 12 50866 1 . ILE 13 13 50866 1 . ASP 14 14 50866 1 . GLU 15 15 50866 1 . GLU 16 16 50866 1 . VAL 17 17 50866 1 . LEU 18 18 50866 1 . MET 19 19 50866 1 . SER 20 20 50866 1 . LEU 21 21 50866 1 . VAL 22 22 50866 1 . ILE 23 23 50866 1 . GLU 24 24 50866 1 . MET 25 25 50866 1 . GLY 26 26 50866 1 . LEU 27 27 50866 1 . ASP 28 28 50866 1 . ARG 29 29 50866 1 . ILE 30 30 50866 1 . LYS 31 31 50866 1 . GLU 32 32 50866 1 . LEU 33 33 50866 1 . PRO 34 34 50866 1 . GLU 35 35 50866 1 . LEU 36 36 50866 1 . THR 37 37 50866 1 . SER 38 38 50866 1 . TYR 39 39 50866 1 . ASP 40 40 50866 1 . CYS 41 41 50866 1 . GLU 42 42 50866 1 . VAL 43 43 50866 1 . ASN 44 44 50866 1 . ALA 45 45 50866 1 . PRO 46 46 50866 1 . ILE 47 47 50866 1 . GLN 48 48 50866 1 . GLY 49 49 50866 1 . SER 50 50 50866 1 . ARG 51 51 50866 1 . ASN 52 52 50866 1 . LEU 53 53 50866 1 . LEU 54 54 50866 1 . GLN 55 55 50866 1 . GLY 56 56 50866 1 . GLU 57 57 50866 1 . GLU 58 58 50866 1 . LEU 59 59 50866 1 . LEU 60 60 50866 1 . ARG 61 61 50866 1 . ALA 62 62 50866 1 . LEU 63 63 50866 1 . ASP 64 64 50866 1 . GLN 65 65 50866 1 . VAL 66 66 50866 1 . ASN 67 67 50866 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 50866 _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' . . . . . . . . . . . . . . . . . . . . . . 50866 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 50866 _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 . . pET22b . . . 50866 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50866 _Sample.ID 1 _Sample.Name 'CITED2-HIF-1alpha fusion peptide' _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 'CITED2-HIF-1alpha fusion peptide' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 100 . . uM . . . . 50866 1 2 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 50866 1 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 50866 1 4 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 50866 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 50866 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'NMR Buffer' _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 50866 1 pH 6.8 . pH 50866 1 pressure 1 . atm 50866 1 temperature 298 . K 50866 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50866 _Software.ID 1 _Software.Type . _Software.Name NMRbox _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50866 1 processing . 50866 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50866 _Software.ID 2 _Software.Type . _Software.Name 'GNU Octave' _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50866 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50866 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50866 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 50866 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50866 4 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 50866 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance 700 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 50866 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50866 1 2 '3D best-HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50866 1 3 '3D best-HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50866 1 4 '3D best-HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50866 1 5 '3D best-HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50866 1 6 '3D best-HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50866 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 50866 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'CITED2-HIF-1alpha fusion peptide' _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 0.0 external indirect 0.251449530 . . . . . 50866 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1 . . . . . 50866 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 . . . . . 50866 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 50866 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'CITED2-HIF-1alpha fusion peptide' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50866 1 2 '3D best-HNCO' . . . 50866 1 3 '3D best-HNCA' . . . 50866 1 4 '3D best-HN(CO)CA' . . . 50866 1 5 '3D best-HNCACB' . . . 50866 1 6 '3D best-HN(CO)CACB' . . . 50866 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 . . 50866 1 2 $software_2 . . 50866 1 3 $software_3 . . 50866 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 4 4 MET C C 13 176.055 0.050 . 1 . . . . . 4 MET C . 50866 1 2 . 1 . 1 4 4 MET CA C 13 55.528 0.010 . 1 . . . . . 4 MET CA . 50866 1 3 . 1 . 1 4 4 MET CB C 13 33.094 0.010 . 1 . . . . . 4 MET CB . 50866 1 4 . 1 . 1 5 5 SER H H 1 8.366 0.010 . 1 . . . . . 5 SER H . 50866 1 5 . 1 . 1 5 5 SER C C 13 174.121 0.050 . 1 . . . . . 5 SER C . 50866 1 6 . 1 . 1 5 5 SER CA C 13 58.498 0.010 . 1 . . . . . 5 SER CA . 50866 1 7 . 1 . 1 5 5 SER CB C 13 63.718 0.010 . 1 . . . . . 5 SER CB . 50866 1 8 . 1 . 1 5 5 SER N N 15 116.790 0.010 . 1 . . . . . 5 SER N . 50866 1 9 . 1 . 1 6 6 ASN H H 1 8.491 0.010 . 1 . . . . . 6 ASN H . 50866 1 10 . 1 . 1 6 6 ASN C C 13 174.866 0.050 . 1 . . . . . 6 ASN C . 50866 1 11 . 1 . 1 6 6 ASN CA C 13 53.404 0.010 . 1 . . . . . 6 ASN CA . 50866 1 12 . 1 . 1 6 6 ASN CB C 13 38.816 0.010 . 1 . . . . . 6 ASN CB . 50866 1 13 . 1 . 1 6 6 ASN N N 15 120.314 0.010 . 1 . . . . . 6 ASN N . 50866 1 14 . 1 . 1 7 7 VAL H H 1 8.017 0.010 . 1 . . . . . 7 VAL H . 50866 1 15 . 1 . 1 7 7 VAL C C 13 175.918 0.050 . 1 . . . . . 7 VAL C . 50866 1 16 . 1 . 1 7 7 VAL CA C 13 62.510 0.010 . 1 . . . . . 7 VAL CA . 50866 1 17 . 1 . 1 7 7 VAL CB C 13 32.806 0.010 . 1 . . . . . 7 VAL CB . 50866 1 18 . 1 . 1 7 7 VAL N N 15 119.914 0.010 . 1 . . . . . 7 VAL N . 50866 1 19 . 1 . 1 8 8 ILE H H 1 8.186 0.010 . 1 . . . . . 8 ILE H . 50866 1 20 . 1 . 1 8 8 ILE C C 13 175.797 0.050 . 1 . . . . . 8 ILE C . 50866 1 21 . 1 . 1 8 8 ILE CA C 13 60.993 0.010 . 1 . . . . . 8 ILE CA . 50866 1 22 . 1 . 1 8 8 ILE CB C 13 38.881 0.010 . 1 . . . . . 8 ILE CB . 50866 1 23 . 1 . 1 8 8 ILE N N 15 124.052 0.010 . 1 . . . . . 8 ILE N . 50866 1 24 . 1 . 1 9 9 ASP H H 1 8.361 0.010 . 1 . . . . . 9 ASP H . 50866 1 25 . 1 . 1 9 9 ASP C C 13 176.427 0.050 . 1 . . . . . 9 ASP C . 50866 1 26 . 1 . 1 9 9 ASP CA C 13 54.451 0.010 . 1 . . . . . 9 ASP CA . 50866 1 27 . 1 . 1 9 9 ASP CB C 13 41.301 0.010 . 1 . . . . . 9 ASP CB . 50866 1 28 . 1 . 1 9 9 ASP N N 15 124.555 0.010 . 1 . . . . . 9 ASP N . 50866 1 29 . 1 . 1 10 10 THR H H 1 8.047 0.010 . 1 . . . . . 10 THR H . 50866 1 30 . 1 . 1 10 10 THR C C 13 174.310 0.050 . 1 . . . . . 10 THR C . 50866 1 31 . 1 . 1 10 10 THR CA C 13 62.011 0.010 . 1 . . . . . 10 THR CA . 50866 1 32 . 1 . 1 10 10 THR CB C 13 69.634 0.010 . 1 . . . . . 10 THR CB . 50866 1 33 . 1 . 1 10 10 THR N N 15 113.813 0.010 . 1 . . . . . 10 THR N . 50866 1 34 . 1 . 1 11 11 ASP H H 1 8.319 0.010 . 1 . . . . . 11 ASP H . 50866 1 35 . 1 . 1 11 11 ASP C C 13 175.763 0.050 . 1 . . . . . 11 ASP C . 50866 1 36 . 1 . 1 11 11 ASP CA C 13 54.645 0.010 . 1 . . . . . 11 ASP CA . 50866 1 37 . 1 . 1 11 11 ASP CB C 13 41.063 0.010 . 1 . . . . . 11 ASP CB . 50866 1 38 . 1 . 1 11 11 ASP N N 15 122.263 0.010 . 1 . . . . . 11 ASP N . 50866 1 39 . 1 . 1 12 12 PHE H H 1 8.016 0.010 . 1 . . . . . 12 PHE H . 50866 1 40 . 1 . 1 12 12 PHE C C 13 175.165 0.050 . 1 . . . . . 12 PHE C . 50866 1 41 . 1 . 1 12 12 PHE CA C 13 57.848 0.010 . 1 . . . . . 12 PHE CA . 50866 1 42 . 1 . 1 12 12 PHE CB C 13 39.753 0.010 . 1 . . . . . 12 PHE CB . 50866 1 43 . 1 . 1 12 12 PHE N N 15 120.270 0.010 . 1 . . . . . 12 PHE N . 50866 1 44 . 1 . 1 13 13 ILE H H 1 7.939 0.010 . 1 . . . . . 13 ILE H . 50866 1 45 . 1 . 1 13 13 ILE C C 13 175.052 0.050 . 1 . . . . . 13 ILE C . 50866 1 46 . 1 . 1 13 13 ILE CA C 13 60.753 0.010 . 1 . . . . . 13 ILE CA . 50866 1 47 . 1 . 1 13 13 ILE CB C 13 39.173 0.010 . 1 . . . . . 13 ILE CB . 50866 1 48 . 1 . 1 13 13 ILE N N 15 123.707 0.010 . 1 . . . . . 13 ILE N . 50866 1 49 . 1 . 1 14 14 ASP H H 1 8.228 0.010 . 1 . . . . . 14 ASP H . 50866 1 50 . 1 . 1 14 14 ASP C C 13 176.379 0.050 . 1 . . . . . 14 ASP C . 50866 1 51 . 1 . 1 14 14 ASP CA C 13 54.204 0.010 . 1 . . . . . 14 ASP CA . 50866 1 52 . 1 . 1 14 14 ASP CB C 13 41.538 0.010 . 1 . . . . . 14 ASP CB . 50866 1 53 . 1 . 1 14 14 ASP N N 15 125.024 0.010 . 1 . . . . . 14 ASP N . 50866 1 54 . 1 . 1 15 15 GLU H H 1 8.505 0.010 . 1 . . . . . 15 GLU H . 50866 1 55 . 1 . 1 15 15 GLU C C 13 177.127 0.050 . 1 . . . . . 15 GLU C . 50866 1 56 . 1 . 1 15 15 GLU CA C 13 57.847 0.010 . 1 . . . . . 15 GLU CA . 50866 1 57 . 1 . 1 15 15 GLU CB C 13 30.332 0.010 . 1 . . . . . 15 GLU CB . 50866 1 58 . 1 . 1 15 15 GLU N N 15 122.500 0.010 . 1 . . . . . 15 GLU N . 50866 1 59 . 1 . 1 16 16 GLU H H 1 8.476 0.010 . 1 . . . . . 16 GLU H . 50866 1 60 . 1 . 1 16 16 GLU C C 13 177.637 0.050 . 1 . . . . . 16 GLU C . 50866 1 61 . 1 . 1 16 16 GLU CA C 13 57.978 0.010 . 1 . . . . . 16 GLU CA . 50866 1 62 . 1 . 1 16 16 GLU CB C 13 29.866 0.010 . 1 . . . . . 16 GLU CB . 50866 1 63 . 1 . 1 16 16 GLU N N 15 120.987 0.010 . 1 . . . . . 16 GLU N . 50866 1 64 . 1 . 1 17 17 VAL H H 1 7.952 0.010 . 1 . . . . . 17 VAL H . 50866 1 65 . 1 . 1 17 17 VAL C C 13 177.165 0.050 . 1 . . . . . 17 VAL C . 50866 1 66 . 1 . 1 17 17 VAL CA C 13 63.729 0.010 . 1 . . . . . 17 VAL CA . 50866 1 67 . 1 . 1 17 17 VAL CB C 13 32.350 0.010 . 1 . . . . . 17 VAL CB . 50866 1 68 . 1 . 1 17 17 VAL N N 15 121.330 0.010 . 1 . . . . . 17 VAL N . 50866 1 69 . 1 . 1 18 18 LEU H H 1 8.119 0.010 . 1 . . . . . 18 LEU H . 50866 1 70 . 1 . 1 18 18 LEU C C 13 178.090 0.050 . 1 . . . . . 18 LEU C . 50866 1 71 . 1 . 1 18 18 LEU CA C 13 56.263 0.010 . 1 . . . . . 18 LEU CA . 50866 1 72 . 1 . 1 18 18 LEU CB C 13 42.050 0.010 . 1 . . . . . 18 LEU CB . 50866 1 73 . 1 . 1 18 18 LEU N N 15 123.869 0.010 . 1 . . . . . 18 LEU N . 50866 1 74 . 1 . 1 19 19 MET H H 1 8.244 0.010 . 1 . . . . . 19 MET H . 50866 1 75 . 1 . 1 19 19 MET C C 13 176.971 0.050 . 1 . . . . . 19 MET C . 50866 1 76 . 1 . 1 19 19 MET CA C 13 56.415 0.010 . 1 . . . . . 19 MET CA . 50866 1 77 . 1 . 1 19 19 MET CB C 13 32.569 0.010 . 1 . . . . . 19 MET CB . 50866 1 78 . 1 . 1 19 19 MET N N 15 119.616 0.010 . 1 . . . . . 19 MET N . 50866 1 79 . 1 . 1 20 20 SER H H 1 8.062 0.010 . 1 . . . . . 20 SER H . 50866 1 80 . 1 . 1 20 20 SER C C 13 174.909 0.050 . 1 . . . . . 20 SER C . 50866 1 81 . 1 . 1 20 20 SER CA C 13 59.398 0.010 . 1 . . . . . 20 SER CA . 50866 1 82 . 1 . 1 20 20 SER CB C 13 63.530 0.010 . 1 . . . . . 20 SER CB . 50866 1 83 . 1 . 1 20 20 SER N N 15 115.762 0.010 . 1 . . . . . 20 SER N . 50866 1 84 . 1 . 1 21 21 LEU H H 1 8.020 0.010 . 1 . . . . . 21 LEU H . 50866 1 85 . 1 . 1 21 21 LEU C C 13 177.635 0.050 . 1 . . . . . 21 LEU C . 50866 1 86 . 1 . 1 21 21 LEU CA C 13 55.999 0.010 . 1 . . . . . 21 LEU CA . 50866 1 87 . 1 . 1 21 21 LEU CB C 13 42.404 0.010 . 1 . . . . . 21 LEU CB . 50866 1 88 . 1 . 1 21 21 LEU N N 15 123.721 0.010 . 1 . . . . . 21 LEU N . 50866 1 89 . 1 . 1 22 22 VAL H H 1 8.004 0.010 . 1 . . . . . 22 VAL H . 50866 1 90 . 1 . 1 22 22 VAL C C 13 176.849 0.050 . 1 . . . . . 22 VAL C . 50866 1 91 . 1 . 1 22 22 VAL CA C 13 63.632 0.010 . 1 . . . . . 22 VAL CA . 50866 1 92 . 1 . 1 22 22 VAL CB C 13 32.360 0.010 . 1 . . . . . 22 VAL CB . 50866 1 93 . 1 . 1 22 22 VAL N N 15 120.885 0.010 . 1 . . . . . 22 VAL N . 50866 1 94 . 1 . 1 23 23 ILE H H 1 8.085 0.010 . 1 . . . . . 23 ILE H . 50866 1 95 . 1 . 1 23 23 ILE C C 13 176.929 0.050 . 1 . . . . . 23 ILE C . 50866 1 96 . 1 . 1 23 23 ILE CA C 13 61.857 0.010 . 1 . . . . . 23 ILE CA . 50866 1 97 . 1 . 1 23 23 ILE CB C 13 38.555 0.010 . 1 . . . . . 23 ILE CB . 50866 1 98 . 1 . 1 23 23 ILE N N 15 123.865 0.010 . 1 . . . . . 23 ILE N . 50866 1 99 . 1 . 1 24 24 GLU H H 1 8.372 0.010 . 1 . . . . . 24 GLU H . 50866 1 100 . 1 . 1 24 24 GLU C C 13 176.921 0.050 . 1 . . . . . 24 GLU C . 50866 1 101 . 1 . 1 24 24 GLU CA C 13 57.248 0.010 . 1 . . . . . 24 GLU CA . 50866 1 102 . 1 . 1 24 24 GLU CB C 13 30.179 0.010 . 1 . . . . . 24 GLU CB . 50866 1 103 . 1 . 1 24 24 GLU N N 15 124.088 0.010 . 1 . . . . . 24 GLU N . 50866 1 104 . 1 . 1 25 25 MET H H 1 8.383 0.010 . 1 . . . . . 25 MET H . 50866 1 105 . 1 . 1 25 25 MET C C 13 176.935 0.050 . 1 . . . . . 25 MET C . 50866 1 106 . 1 . 1 25 25 MET CA C 13 55.991 0.010 . 1 . . . . . 25 MET CA . 50866 1 107 . 1 . 1 25 25 MET CB C 13 33.174 0.010 . 1 . . . . . 25 MET CB . 50866 1 108 . 1 . 1 25 25 MET N N 15 120.364 0.010 . 1 . . . . . 25 MET N . 50866 1 109 . 1 . 1 26 26 GLY H H 1 8.338 0.010 . 1 . . . . . 26 GLY H . 50866 1 110 . 1 . 1 26 26 GLY C C 13 174.638 0.050 . 1 . . . . . 26 GLY C . 50866 1 111 . 1 . 1 26 26 GLY CA C 13 45.712 0.010 . 1 . . . . . 26 GLY CA . 50866 1 112 . 1 . 1 26 26 GLY N N 15 109.311 0.010 . 1 . . . . . 26 GLY N . 50866 1 113 . 1 . 1 27 27 LEU H H 1 8.117 0.010 . 1 . . . . . 27 LEU H . 50866 1 114 . 1 . 1 27 27 LEU C C 13 177.387 0.050 . 1 . . . . . 27 LEU C . 50866 1 115 . 1 . 1 27 27 LEU CA C 13 55.661 0.010 . 1 . . . . . 27 LEU CA . 50866 1 116 . 1 . 1 27 27 LEU CB C 13 42.325 0.010 . 1 . . . . . 27 LEU CB . 50866 1 117 . 1 . 1 27 27 LEU N N 15 121.243 0.010 . 1 . . . . . 27 LEU N . 50866 1 118 . 1 . 1 28 28 ASP H H 1 8.444 0.010 . 1 . . . . . 28 ASP H . 50866 1 119 . 1 . 1 28 28 ASP C C 13 176.285 0.050 . 1 . . . . . 28 ASP C . 50866 1 120 . 1 . 1 28 28 ASP CA C 13 54.640 0.010 . 1 . . . . . 28 ASP CA . 50866 1 121 . 1 . 1 28 28 ASP CB C 13 40.825 0.010 . 1 . . . . . 28 ASP CB . 50866 1 122 . 1 . 1 28 28 ASP N N 15 119.672 0.010 . 1 . . . . . 28 ASP N . 50866 1 123 . 1 . 1 29 29 ARG H H 1 7.993 0.010 . 1 . . . . . 29 ARG H . 50866 1 124 . 1 . 1 29 29 ARG C C 13 176.436 0.050 . 1 . . . . . 29 ARG C . 50866 1 125 . 1 . 1 29 29 ARG CA C 13 56.161 0.010 . 1 . . . . . 29 ARG CA . 50866 1 126 . 1 . 1 29 29 ARG CB C 13 30.840 0.010 . 1 . . . . . 29 ARG CB . 50866 1 127 . 1 . 1 29 29 ARG N N 15 120.214 0.010 . 1 . . . . . 29 ARG N . 50866 1 128 . 1 . 1 30 30 ILE H H 1 8.044 0.010 . 1 . . . . . 30 ILE H . 50866 1 129 . 1 . 1 30 30 ILE C C 13 176.357 0.050 . 1 . . . . . 30 ILE C . 50866 1 130 . 1 . 1 30 30 ILE CA C 13 61.622 0.010 . 1 . . . . . 30 ILE CA . 50866 1 131 . 1 . 1 30 30 ILE CB C 13 38.393 0.010 . 1 . . . . . 30 ILE CB . 50866 1 132 . 1 . 1 30 30 ILE N N 15 121.245 0.010 . 1 . . . . . 30 ILE N . 50866 1 133 . 1 . 1 31 31 LYS H H 1 8.247 0.010 . 1 . . . . . 31 LYS H . 50866 1 134 . 1 . 1 31 31 LYS C C 13 176.244 0.050 . 1 . . . . . 31 LYS C . 50866 1 135 . 1 . 1 31 31 LYS CA C 13 56.442 0.010 . 1 . . . . . 31 LYS CA . 50866 1 136 . 1 . 1 31 31 LYS CB C 13 33.149 0.010 . 1 . . . . . 31 LYS CB . 50866 1 137 . 1 . 1 31 31 LYS N N 15 124.587 0.010 . 1 . . . . . 31 LYS N . 50866 1 138 . 1 . 1 32 32 GLU H H 1 8.275 0.010 . 1 . . . . . 32 GLU H . 50866 1 139 . 1 . 1 32 32 GLU C C 13 176.517 0.050 . 1 . . . . . 32 GLU C . 50866 1 140 . 1 . 1 32 32 GLU CA C 13 56.442 0.010 . 1 . . . . . 32 GLU CA . 50866 1 141 . 1 . 1 32 32 GLU CB C 13 32.788 0.010 . 1 . . . . . 32 GLU CB . 50866 1 142 . 1 . 1 32 32 GLU N N 15 121.667 0.010 . 1 . . . . . 32 GLU N . 50866 1 143 . 1 . 1 33 33 LEU H H 1 8.105 0.010 . 1 . . . . . 33 LEU H . 50866 1 144 . 1 . 1 33 33 LEU CA C 13 61.577 0.010 . 1 . . . . . 33 LEU CA . 50866 1 145 . 1 . 1 33 33 LEU CB C 13 38.578 0.010 . 1 . . . . . 33 LEU CB . 50866 1 146 . 1 . 1 33 33 LEU N N 15 124.297 0.010 . 1 . . . . . 33 LEU N . 50866 1 147 . 1 . 1 34 34 PRO C C 13 176.899 0.050 . 1 . . . . . 34 PRO C . 50866 1 148 . 1 . 1 34 34 PRO CA C 13 63.236 0.010 . 1 . . . . . 34 PRO CA . 50866 1 149 . 1 . 1 34 34 PRO CB C 13 32.065 0.010 . 1 . . . . . 34 PRO CB . 50866 1 150 . 1 . 1 35 35 GLU H H 1 8.525 0.010 . 1 . . . . . 35 GLU H . 50866 1 151 . 1 . 1 35 35 GLU C C 13 176.583 0.050 . 1 . . . . . 35 GLU C . 50866 1 152 . 1 . 1 35 35 GLU CA C 13 56.666 0.010 . 1 . . . . . 35 GLU CA . 50866 1 153 . 1 . 1 35 35 GLU CB C 13 30.217 0.010 . 1 . . . . . 35 GLU CB . 50866 1 154 . 1 . 1 35 35 GLU N N 15 120.533 0.010 . 1 . . . . . 35 GLU N . 50866 1 155 . 1 . 1 36 36 LEU H H 1 8.290 0.010 . 1 . . . . . 36 LEU H . 50866 1 156 . 1 . 1 36 36 LEU C C 13 177.469 0.050 . 1 . . . . . 36 LEU C . 50866 1 157 . 1 . 1 36 36 LEU CA C 13 55.238 0.010 . 1 . . . . . 36 LEU CA . 50866 1 158 . 1 . 1 36 36 LEU CB C 13 42.408 0.010 . 1 . . . . . 36 LEU CB . 50866 1 159 . 1 . 1 36 36 LEU N N 15 123.425 0.010 . 1 . . . . . 36 LEU N . 50866 1 160 . 1 . 1 37 37 THR H H 1 8.153 0.010 . 1 . . . . . 37 THR H . 50866 1 161 . 1 . 1 37 37 THR C C 13 174.379 0.050 . 1 . . . . . 37 THR C . 50866 1 162 . 1 . 1 37 37 THR CA C 13 61.885 0.010 . 1 . . . . . 37 THR CA . 50866 1 163 . 1 . 1 37 37 THR CB C 13 70.045 0.010 . 1 . . . . . 37 THR CB . 50866 1 164 . 1 . 1 37 37 THR N N 15 114.888 0.010 . 1 . . . . . 37 THR N . 50866 1 165 . 1 . 1 38 38 SER H H 1 8.221 0.010 . 1 . . . . . 38 SER H . 50866 1 166 . 1 . 1 38 38 SER C C 13 174.120 0.050 . 1 . . . . . 38 SER C . 50866 1 167 . 1 . 1 38 38 SER CA C 13 58.131 0.010 . 1 . . . . . 38 SER CA . 50866 1 168 . 1 . 1 38 38 SER CB C 13 63.900 0.010 . 1 . . . . . 38 SER CB . 50866 1 169 . 1 . 1 38 38 SER N N 15 117.760 0.010 . 1 . . . . . 38 SER N . 50866 1 170 . 1 . 1 39 39 TYR H H 1 8.212 0.010 . 1 . . . . . 39 TYR H . 50866 1 171 . 1 . 1 39 39 TYR C C 13 175.494 0.050 . 1 . . . . . 39 TYR C . 50866 1 172 . 1 . 1 39 39 TYR CA C 13 57.980 0.010 . 1 . . . . . 39 TYR CA . 50866 1 173 . 1 . 1 39 39 TYR CB C 13 38.901 0.010 . 1 . . . . . 39 TYR CB . 50866 1 174 . 1 . 1 39 39 TYR N N 15 122.281 0.010 . 1 . . . . . 39 TYR N . 50866 1 175 . 1 . 1 40 40 ASP H H 1 8.275 0.010 . 1 . . . . . 40 ASP H . 50866 1 176 . 1 . 1 40 40 ASP C C 13 176.038 0.050 . 1 . . . . . 40 ASP C . 50866 1 177 . 1 . 1 40 40 ASP CA C 13 54.417 0.010 . 1 . . . . . 40 ASP CA . 50866 1 178 . 1 . 1 40 40 ASP CB C 13 41.267 0.010 . 1 . . . . . 40 ASP CB . 50866 1 179 . 1 . 1 40 40 ASP N N 15 121.970 0.010 . 1 . . . . . 40 ASP N . 50866 1 180 . 1 . 1 41 41 CYS H H 1 8.176 0.010 . 1 . . . . . 41 CYS H . 50866 1 181 . 1 . 1 41 41 CYS C C 13 174.600 0.050 . 1 . . . . . 41 CYS C . 50866 1 182 . 1 . 1 41 41 CYS CA C 13 58.624 0.010 . 1 . . . . . 41 CYS CA . 50866 1 183 . 1 . 1 41 41 CYS CB C 13 28.221 0.010 . 1 . . . . . 41 CYS CB . 50866 1 184 . 1 . 1 41 41 CYS N N 15 119.044 0.010 . 1 . . . . . 41 CYS N . 50866 1 185 . 1 . 1 42 42 GLU H H 1 8.492 0.010 . 1 . . . . . 42 GLU H . 50866 1 186 . 1 . 1 42 42 GLU C C 13 176.693 0.050 . 1 . . . . . 42 GLU C . 50866 1 187 . 1 . 1 42 42 GLU CA C 13 56.929 0.010 . 1 . . . . . 42 GLU CA . 50866 1 188 . 1 . 1 42 42 GLU CB C 13 30.135 0.010 . 1 . . . . . 42 GLU CB . 50866 1 189 . 1 . 1 42 42 GLU N N 15 123.002 0.010 . 1 . . . . . 42 GLU N . 50866 1 190 . 1 . 1 43 43 VAL H H 1 8.080 0.010 . 1 . . . . . 43 VAL H . 50866 1 191 . 1 . 1 43 43 VAL C C 13 175.907 0.050 . 1 . . . . . 43 VAL C . 50866 1 192 . 1 . 1 43 43 VAL CA C 13 62.726 0.010 . 1 . . . . . 43 VAL CA . 50866 1 193 . 1 . 1 43 43 VAL CB C 13 32.655 0.010 . 1 . . . . . 43 VAL CB . 50866 1 194 . 1 . 1 43 43 VAL N N 15 120.579 0.010 . 1 . . . . . 43 VAL N . 50866 1 195 . 1 . 1 44 44 ASN H H 1 8.413 0.010 . 1 . . . . . 44 ASN H . 50866 1 196 . 1 . 1 44 44 ASN C C 13 174.298 0.050 . 1 . . . . . 44 ASN C . 50866 1 197 . 1 . 1 44 44 ASN CA C 13 53.042 0.010 . 1 . . . . . 44 ASN CA . 50866 1 198 . 1 . 1 44 44 ASN CB C 13 39.094 0.010 . 1 . . . . . 44 ASN CB . 50866 1 199 . 1 . 1 44 44 ASN N N 15 121.545 0.010 . 1 . . . . . 44 ASN N . 50866 1 200 . 1 . 1 45 45 ALA H H 1 8.090 0.010 . 1 . . . . . 45 ALA H . 50866 1 201 . 1 . 1 45 45 ALA C C 13 175.343 0.050 . 1 . . . . . 45 ALA C . 50866 1 202 . 1 . 1 45 45 ALA CA C 13 50.790 0.010 . 1 . . . . . 45 ALA CA . 50866 1 203 . 1 . 1 45 45 ALA CB C 13 18.302 0.010 . 1 . . . . . 45 ALA CB . 50866 1 204 . 1 . 1 45 45 ALA N N 15 125.340 0.010 . 1 . . . . . 45 ALA N . 50866 1 205 . 1 . 1 46 46 PRO C C 13 177.049 0.050 . 1 . . . . . 46 PRO C . 50866 1 206 . 1 . 1 46 46 PRO CA C 13 63.062 0.010 . 1 . . . . . 46 PRO CA . 50866 1 207 . 1 . 1 46 46 PRO CB C 13 31.970 0.010 . 1 . . . . . 46 PRO CB . 50866 1 208 . 1 . 1 47 47 ILE H H 1 8.229 0.010 . 1 . . . . . 47 ILE H . 50866 1 209 . 1 . 1 47 47 ILE C C 13 176.573 0.050 . 1 . . . . . 47 ILE C . 50866 1 210 . 1 . 1 47 47 ILE CA C 13 61.262 0.010 . 1 . . . . . 47 ILE CA . 50866 1 211 . 1 . 1 47 47 ILE CB C 13 38.776 0.010 . 1 . . . . . 47 ILE CB . 50866 1 212 . 1 . 1 47 47 ILE N N 15 121.075 0.010 . 1 . . . . . 47 ILE N . 50866 1 213 . 1 . 1 48 48 GLN H H 1 8.524 0.010 . 1 . . . . . 48 GLN H . 50866 1 214 . 1 . 1 48 48 GLN C C 13 176.435 0.050 . 1 . . . . . 48 GLN C . 50866 1 215 . 1 . 1 48 48 GLN CA C 13 56.077 0.010 . 1 . . . . . 48 GLN CA . 50866 1 216 . 1 . 1 48 48 GLN CB C 13 29.502 0.010 . 1 . . . . . 48 GLN CB . 50866 1 217 . 1 . 1 48 48 GLN N N 15 124.729 0.010 . 1 . . . . . 48 GLN N . 50866 1 218 . 1 . 1 49 49 GLY H H 1 8.469 0.010 . 1 . . . . . 49 GLY H . 50866 1 219 . 1 . 1 49 49 GLY C C 13 174.143 0.050 . 1 . . . . . 49 GLY C . 50866 1 220 . 1 . 1 49 49 GLY CA C 13 45.350 0.010 . 1 . . . . . 49 GLY CA . 50866 1 221 . 1 . 1 49 49 GLY N N 15 110.564 0.010 . 1 . . . . . 49 GLY N . 50866 1 222 . 1 . 1 50 50 SER H H 1 8.246 0.010 . 1 . . . . . 50 SER H . 50866 1 223 . 1 . 1 50 50 SER C C 13 174.801 0.050 . 1 . . . . . 50 SER C . 50866 1 224 . 1 . 1 50 50 SER CA C 13 58.498 0.010 . 1 . . . . . 50 SER CA . 50866 1 225 . 1 . 1 50 50 SER CB C 13 64.049 0.010 . 1 . . . . . 50 SER CB . 50866 1 226 . 1 . 1 50 50 SER N N 15 115.562 0.010 . 1 . . . . . 50 SER N . 50866 1 227 . 1 . 1 51 51 ARG H H 1 8.431 0.010 . 1 . . . . . 51 ARG H . 50866 1 228 . 1 . 1 51 51 ARG C C 13 175.953 0.050 . 1 . . . . . 51 ARG C . 50866 1 229 . 1 . 1 51 51 ARG CA C 13 56.406 0.010 . 1 . . . . . 51 ARG CA . 50866 1 230 . 1 . 1 51 51 ARG CB C 13 30.792 0.010 . 1 . . . . . 51 ARG CB . 50866 1 231 . 1 . 1 51 51 ARG N N 15 122.702 0.010 . 1 . . . . . 51 ARG N . 50866 1 232 . 1 . 1 52 52 ASN H H 1 8.445 0.010 . 1 . . . . . 52 ASN H . 50866 1 233 . 1 . 1 52 52 ASN C C 13 175.111 0.050 . 1 . . . . . 52 ASN C . 50866 1 234 . 1 . 1 52 52 ASN CA C 13 53.391 0.010 . 1 . . . . . 52 ASN CA . 50866 1 235 . 1 . 1 52 52 ASN CB C 13 38.719 0.010 . 1 . . . . . 52 ASN CB . 50866 1 236 . 1 . 1 52 52 ASN N N 15 119.614 0.010 . 1 . . . . . 52 ASN N . 50866 1 237 . 1 . 1 53 53 LEU H H 1 8.219 0.010 . 1 . . . . . 53 LEU H . 50866 1 238 . 1 . 1 53 53 LEU C C 13 177.361 0.050 . 1 . . . . . 53 LEU C . 50866 1 239 . 1 . 1 53 53 LEU CA C 13 55.425 0.010 . 1 . . . . . 53 LEU CA . 50866 1 240 . 1 . 1 53 53 LEU CB C 13 42.346 0.010 . 1 . . . . . 53 LEU CB . 50866 1 241 . 1 . 1 53 53 LEU N N 15 122.647 0.010 . 1 . . . . . 53 LEU N . 50866 1 242 . 1 . 1 54 54 LEU H H 1 8.222 0.010 . 1 . . . . . 54 LEU H . 50866 1 243 . 1 . 1 54 54 LEU C C 13 177.129 0.050 . 1 . . . . . 54 LEU C . 50866 1 244 . 1 . 1 54 54 LEU CA C 13 55.112 0.010 . 1 . . . . . 54 LEU CA . 50866 1 245 . 1 . 1 54 54 LEU CB C 13 42.260 0.010 . 1 . . . . . 54 LEU CB . 50866 1 246 . 1 . 1 54 54 LEU N N 15 122.293 0.010 . 1 . . . . . 54 LEU N . 50866 1 247 . 1 . 1 55 55 GLN H H 1 8.337 0.010 . 1 . . . . . 55 GLN H . 50866 1 248 . 1 . 1 55 55 GLN C C 13 176.470 0.050 . 1 . . . . . 55 GLN C . 50866 1 249 . 1 . 1 55 55 GLN CA C 13 55.958 0.010 . 1 . . . . . 55 GLN CA . 50866 1 250 . 1 . 1 55 55 GLN CB C 13 29.975 0.010 . 1 . . . . . 55 GLN CB . 50866 1 251 . 1 . 1 55 55 GLN N N 15 120.402 0.010 . 1 . . . . . 55 GLN N . 50866 1 252 . 1 . 1 56 56 GLY H H 1 8.523 0.010 . 1 . . . . . 56 GLY H . 50866 1 253 . 1 . 1 56 56 GLY C C 13 174.769 0.050 . 1 . . . . . 56 GLY C . 50866 1 254 . 1 . 1 56 56 GLY CA C 13 45.777 0.010 . 1 . . . . . 56 GLY CA . 50866 1 255 . 1 . 1 56 56 GLY N N 15 110.071 0.010 . 1 . . . . . 56 GLY N . 50866 1 256 . 1 . 1 57 57 GLU H H 1 8.464 0.010 . 1 . . . . . 57 GLU H . 50866 1 257 . 1 . 1 57 57 GLU C C 13 177.204 0.050 . 1 . . . . . 57 GLU C . 50866 1 258 . 1 . 1 57 57 GLU CA C 13 57.532 0.010 . 1 . . . . . 57 GLU CA . 50866 1 259 . 1 . 1 57 57 GLU CB C 13 30.194 0.010 . 1 . . . . . 57 GLU CB . 50866 1 260 . 1 . 1 57 57 GLU N N 15 121.480 0.010 . 1 . . . . . 57 GLU N . 50866 1 261 . 1 . 1 58 58 GLU H H 1 8.587 0.010 . 1 . . . . . 58 GLU H . 50866 1 262 . 1 . 1 58 58 GLU C C 13 177.247 0.050 . 1 . . . . . 58 GLU C . 50866 1 263 . 1 . 1 58 58 GLU CA C 13 57.686 0.010 . 1 . . . . . 58 GLU CA . 50866 1 264 . 1 . 1 58 58 GLU CB C 13 29.866 0.010 . 1 . . . . . 58 GLU CB . 50866 1 265 . 1 . 1 58 58 GLU N N 15 120.900 0.010 . 1 . . . . . 58 GLU N . 50866 1 266 . 1 . 1 59 59 LEU H H 1 7.959 0.010 . 1 . . . . . 59 LEU H . 50866 1 267 . 1 . 1 59 59 LEU C C 13 177.649 0.050 . 1 . . . . . 59 LEU C . 50866 1 268 . 1 . 1 59 59 LEU CA C 13 55.935 0.010 . 1 . . . . . 59 LEU CA . 50866 1 269 . 1 . 1 59 59 LEU CB C 13 42.032 0.010 . 1 . . . . . 59 LEU CB . 50866 1 270 . 1 . 1 59 59 LEU N N 15 122.016 0.010 . 1 . . . . . 59 LEU N . 50866 1 271 . 1 . 1 60 60 LEU H H 1 7.950 0.010 . 1 . . . . . 60 LEU H . 50866 1 272 . 1 . 1 60 60 LEU C C 13 177.817 0.050 . 1 . . . . . 60 LEU C . 50866 1 273 . 1 . 1 60 60 LEU CA C 13 55.839 0.010 . 1 . . . . . 60 LEU CA . 50866 1 274 . 1 . 1 60 60 LEU CB C 13 42.034 0.010 . 1 . . . . . 60 LEU CB . 50866 1 275 . 1 . 1 60 60 LEU N N 15 121.272 0.010 . 1 . . . . . 60 LEU N . 50866 1 276 . 1 . 1 61 61 ARG H H 1 8.063 0.010 . 1 . . . . . 61 ARG H . 50866 1 277 . 1 . 1 61 61 ARG C C 13 176.431 0.050 . 1 . . . . . 61 ARG C . 50866 1 278 . 1 . 1 61 61 ARG CA C 13 56.458 0.010 . 1 . . . . . 61 ARG CA . 50866 1 279 . 1 . 1 61 61 ARG CB C 13 30.849 0.010 . 1 . . . . . 61 ARG CB . 50866 1 280 . 1 . 1 61 61 ARG N N 15 120.786 0.010 . 1 . . . . . 61 ARG N . 50866 1 281 . 1 . 1 62 62 ALA H H 1 8.123 0.010 . 1 . . . . . 62 ALA H . 50866 1 282 . 1 . 1 62 62 ALA C C 13 178.194 0.050 . 1 . . . . . 62 ALA C . 50866 1 283 . 1 . 1 62 62 ALA CA C 13 52.840 0.010 . 1 . . . . . 62 ALA CA . 50866 1 284 . 1 . 1 62 62 ALA CB C 13 19.094 0.010 . 1 . . . . . 62 ALA CB . 50866 1 285 . 1 . 1 62 62 ALA N N 15 124.549 0.010 . 1 . . . . . 62 ALA N . 50866 1 286 . 1 . 1 63 63 LEU H H 1 8.132 0.010 . 1 . . . . . 63 LEU H . 50866 1 287 . 1 . 1 63 63 LEU C C 13 177.419 0.050 . 1 . . . . . 63 LEU C . 50866 1 288 . 1 . 1 63 63 LEU CA C 13 55.528 0.010 . 1 . . . . . 63 LEU CA . 50866 1 289 . 1 . 1 63 63 LEU CB C 13 42.276 0.010 . 1 . . . . . 63 LEU CB . 50866 1 290 . 1 . 1 63 63 LEU N N 15 120.547 0.010 . 1 . . . . . 63 LEU N . 50866 1 291 . 1 . 1 64 64 ASP H H 1 8.147 0.010 . 1 . . . . . 64 ASP H . 50866 1 292 . 1 . 1 64 64 ASP C C 13 176.042 0.050 . 1 . . . . . 64 ASP C . 50866 1 293 . 1 . 1 64 64 ASP CA C 13 54.512 0.010 . 1 . . . . . 64 ASP CA . 50866 1 294 . 1 . 1 64 64 ASP CB C 13 41.031 0.010 . 1 . . . . . 64 ASP CB . 50866 1 295 . 1 . 1 64 64 ASP N N 15 119.787 0.010 . 1 . . . . . 64 ASP N . 50866 1 296 . 1 . 1 65 65 GLN H H 1 8.087 0.010 . 1 . . . . . 65 GLN H . 50866 1 297 . 1 . 1 65 65 GLN C C 13 175.675 0.050 . 1 . . . . . 65 GLN C . 50866 1 298 . 1 . 1 65 65 GLN CA C 13 55.676 0.010 . 1 . . . . . 65 GLN CA . 50866 1 299 . 1 . 1 65 65 GLN CB C 13 29.646 0.010 . 1 . . . . . 65 GLN CB . 50866 1 300 . 1 . 1 65 65 GLN N N 15 119.893 0.010 . 1 . . . . . 65 GLN N . 50866 1 301 . 1 . 1 66 66 VAL H H 1 8.147 0.010 . 1 . . . . . 66 VAL H . 50866 1 302 . 1 . 1 66 66 VAL C C 13 175.162 0.050 . 1 . . . . . 66 VAL C . 50866 1 303 . 1 . 1 66 66 VAL CA C 13 62.437 0.010 . 1 . . . . . 66 VAL CA . 50866 1 304 . 1 . 1 66 66 VAL CB C 13 32.825 0.010 . 1 . . . . . 66 VAL CB . 50866 1 305 . 1 . 1 66 66 VAL N N 15 121.454 0.010 . 1 . . . . . 66 VAL N . 50866 1 306 . 1 . 1 67 67 ASN H H 1 8.070 0.010 . 1 . . . . . 67 ASN H . 50866 1 307 . 1 . 1 67 67 ASN C C 13 179.420 0.050 . 1 . . . . . 67 ASN C . 50866 1 308 . 1 . 1 67 67 ASN CA C 13 54.855 0.010 . 1 . . . . . 67 ASN CA . 50866 1 309 . 1 . 1 67 67 ASN CB C 13 40.648 0.010 . 1 . . . . . 67 ASN CB . 50866 1 310 . 1 . 1 67 67 ASN N N 15 127.574 0.010 . 1 . . . . . 67 ASN N . 50866 1 stop_ save_