data_52290 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52290 _Entry.Title ; 1H,15N and 13C backbone chemical shift assignment of NanogH ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-01-29 _Entry.Accession_date 2024-01-29 _Entry.Last_release_date 2024-01-29 _Entry.Original_release_date 2024-01-29 _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 HongJuan Xue . . . . 52290 2 Bin Wu . . . . 52290 3 Duo Wang . . . . 52290 4 Yanjing Li . . . . 52290 5 Yong Chen . . . . 52290 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52290 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 180 52290 '15N chemical shifts' 61 52290 '1H chemical shifts' 61 52290 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 . . 2025-12-20 . original BMRB . 52290 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52291 '1H,15N and 13C backbone chemical shift assignment of WDR5' 52290 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52290 _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 ; WDR5 Reshapes Nanog Prion-like Structure to Sustain Pluripotency in Embryonic Stem Cells ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 Duo Wang . . . . 52290 1 2 Yanjing Li . . . . 52290 1 3 Yong Chen . . . . 52290 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52290 _Assembly.ID 1 _Assembly.Name NanogH _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 NanogH 1 $entity_1 . . yes native no no . . . 52290 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52290 _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 ; KQKMRTVFSQAQLCALKDRF QKQKYLSLQQMQELSSILNL SYKQVKTWFQNQRMKCKRWQ ; _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 60 _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 96 LYS . 52290 1 2 97 GLN . 52290 1 3 98 LYS . 52290 1 4 99 MET . 52290 1 5 100 ARG . 52290 1 6 101 THR . 52290 1 7 102 VAL . 52290 1 8 103 PHE . 52290 1 9 104 SER . 52290 1 10 105 GLN . 52290 1 11 106 ALA . 52290 1 12 107 GLN . 52290 1 13 108 LEU . 52290 1 14 109 CYS . 52290 1 15 110 ALA . 52290 1 16 111 LEU . 52290 1 17 112 LYS . 52290 1 18 113 ASP . 52290 1 19 114 ARG . 52290 1 20 115 PHE . 52290 1 21 116 GLN . 52290 1 22 117 LYS . 52290 1 23 118 GLN . 52290 1 24 119 LYS . 52290 1 25 120 TYR . 52290 1 26 121 LEU . 52290 1 27 122 SER . 52290 1 28 123 LEU . 52290 1 29 124 GLN . 52290 1 30 125 GLN . 52290 1 31 126 MET . 52290 1 32 127 GLN . 52290 1 33 128 GLU . 52290 1 34 129 LEU . 52290 1 35 130 SER . 52290 1 36 131 SER . 52290 1 37 132 ILE . 52290 1 38 133 LEU . 52290 1 39 134 ASN . 52290 1 40 135 LEU . 52290 1 41 136 SER . 52290 1 42 137 TYR . 52290 1 43 138 LYS . 52290 1 44 139 GLN . 52290 1 45 140 VAL . 52290 1 46 141 LYS . 52290 1 47 142 THR . 52290 1 48 143 TRP . 52290 1 49 144 PHE . 52290 1 50 145 GLN . 52290 1 51 146 ASN . 52290 1 52 147 GLN . 52290 1 53 148 ARG . 52290 1 54 149 MET . 52290 1 55 150 LYS . 52290 1 56 151 CYS . 52290 1 57 152 LYS . 52290 1 58 153 ARG . 52290 1 59 154 TRP . 52290 1 60 155 GLN . 52290 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 . LYS 1 1 52290 1 . GLN 2 2 52290 1 . LYS 3 3 52290 1 . MET 4 4 52290 1 . ARG 5 5 52290 1 . THR 6 6 52290 1 . VAL 7 7 52290 1 . PHE 8 8 52290 1 . SER 9 9 52290 1 . GLN 10 10 52290 1 . ALA 11 11 52290 1 . GLN 12 12 52290 1 . LEU 13 13 52290 1 . CYS 14 14 52290 1 . ALA 15 15 52290 1 . LEU 16 16 52290 1 . LYS 17 17 52290 1 . ASP 18 18 52290 1 . ARG 19 19 52290 1 . PHE 20 20 52290 1 . GLN 21 21 52290 1 . LYS 22 22 52290 1 . GLN 23 23 52290 1 . LYS 24 24 52290 1 . TYR 25 25 52290 1 . LEU 26 26 52290 1 . SER 27 27 52290 1 . LEU 28 28 52290 1 . GLN 29 29 52290 1 . GLN 30 30 52290 1 . MET 31 31 52290 1 . GLN 32 32 52290 1 . GLU 33 33 52290 1 . LEU 34 34 52290 1 . SER 35 35 52290 1 . SER 36 36 52290 1 . ILE 37 37 52290 1 . LEU 38 38 52290 1 . ASN 39 39 52290 1 . LEU 40 40 52290 1 . SER 41 41 52290 1 . TYR 42 42 52290 1 . LYS 43 43 52290 1 . GLN 44 44 52290 1 . VAL 45 45 52290 1 . LYS 46 46 52290 1 . THR 47 47 52290 1 . TRP 48 48 52290 1 . PHE 49 49 52290 1 . GLN 50 50 52290 1 . ASN 51 51 52290 1 . GLN 52 52 52290 1 . ARG 53 53 52290 1 . MET 54 54 52290 1 . LYS 55 55 52290 1 . CYS 56 56 52290 1 . LYS 57 57 52290 1 . ARG 58 58 52290 1 . TRP 59 59 52290 1 . GLN 60 60 52290 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 52290 _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 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 52290 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 52290 _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 . . pet28b . . . 52290 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52290 _Sample.ID 1 _Sample.Name NanogH _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 NanogH '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 52290 1 2 HEPS 'natural abundance' . . . . . . 15 . . mM . . . . 52290 1 3 NaCl 'natural abundance' . . . . . . 300 . . mM . . . . 52290 1 4 DTT 'natural abundance' . . . . . . 3 . . mM . . . . 52290 1 5 NaN3 'natural abundance' . . . . . . 0.03 . . % . . . . 52290 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 52290 _Sample_condition_list.ID 1 _Sample_condition_list.Name NanogHD _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' 0.3 . M 52290 1 pH 7.0 . pH 52290 1 pressure 1 . atm 52290 1 temperature 298 . K 52290 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52290 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52290 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52290 _Software.ID 2 _Software.Type . _Software.Name PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52290 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52290 _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' . 52290 3 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 52290 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'spectrometer 1' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DD2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 52290 _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 no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52290 1 2 '3D HNCO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52290 1 3 '3D HNCACO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52290 1 4 '3D HN(CO)CA' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52290 1 5 '3D HNCA' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52290 1 6 '3D CBCA(CO)NH' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52290 1 7 '3D HNCACB' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52290 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 52290 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 carbon' . . . . ppm 0.00 external direct 1 . . . . . 52290 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1 . . . . . 52290 1 N 15 DSS nitrogen . . . . ppm 0.00 external direct 1 . . . . . 52290 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 52290 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name NanogHD _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' . . . 52290 1 2 '3D HNCO' . . . 52290 1 3 '3D HNCACO' . . . 52290 1 4 '3D HN(CO)CA' . . . 52290 1 5 '3D HNCA' . . . 52290 1 6 '3D CBCA(CO)NH' . . . 52290 1 7 '3D HNCACB' . . . 52290 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 . . 52290 1 2 $software_2 . . 52290 1 3 $software_3 . . 52290 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 LYS C C 13 176.600 0.000 . . . . . . . 96 K C . 52290 1 2 . 1 . 1 1 1 LYS CA C 13 56.685 0.000 . . . . . . . 96 K CA . 52290 1 3 . 1 . 1 1 1 LYS CB C 13 33.084 0.000 . . . . . . . 96 K CB . 52290 1 4 . 1 . 1 2 2 GLN H H 1 8.426 0.000 . . . . . . . 97 Q H . 52290 1 5 . 1 . 1 2 2 GLN C C 13 175.919 0.000 . . . . . . . 97 Q C . 52290 1 6 . 1 . 1 2 2 GLN CA C 13 55.925 0.000 . . . . . . . 97 Q CA . 52290 1 7 . 1 . 1 2 2 GLN CB C 13 29.612 0.000 . . . . . . . 97 Q CB . 52290 1 8 . 1 . 1 2 2 GLN N N 15 121.764 0.000 . . . . . . . 97 Q N . 52290 1 9 . 1 . 1 3 3 LYS H H 1 8.378 0.001 . . . . . . . 98 K H . 52290 1 10 . 1 . 1 3 3 LYS C C 13 176.520 0.000 . . . . . . . 98 K C . 52290 1 11 . 1 . 1 3 3 LYS CA C 13 56.415 0.000 . . . . . . . 98 K CA . 52290 1 12 . 1 . 1 3 3 LYS CB C 13 33.084 0.000 . . . . . . . 98 K CB . 52290 1 13 . 1 . 1 3 3 LYS N N 15 123.398 0.017 . . . . . . . 98 K N . 52290 1 14 . 1 . 1 4 4 MET H H 1 8.379 0.000 . . . . . . . 99 M H . 52290 1 15 . 1 . 1 4 4 MET C C 13 176.013 0.000 . . . . . . . 99 M C . 52290 1 16 . 1 . 1 4 4 MET CA C 13 55.452 0.000 . . . . . . . 99 M CA . 52290 1 17 . 1 . 1 4 4 MET CB C 13 33.003 0.000 . . . . . . . 99 M CB . 52290 1 18 . 1 . 1 4 4 MET N N 15 122.119 0.000 . . . . . . . 99 M N . 52290 1 19 . 1 . 1 5 5 ARG H H 1 8.405 0.002 . . . . . . . 100 R H . 52290 1 20 . 1 . 1 5 5 ARG C C 13 176.173 0.000 . . . . . . . 100 R C . 52290 1 21 . 1 . 1 5 5 ARG CA C 13 56.111 0.000 . . . . . . . 100 R CA . 52290 1 22 . 1 . 1 5 5 ARG CB C 13 31.039 0.000 . . . . . . . 100 R CB . 52290 1 23 . 1 . 1 5 5 ARG N N 15 123.063 0.013 . . . . . . . 100 R N . 52290 1 24 . 1 . 1 6 6 THR H H 1 8.241 0.004 . . . . . . . 101 T H . 52290 1 25 . 1 . 1 6 6 THR C C 13 173.944 0.000 . . . . . . . 101 T C . 52290 1 26 . 1 . 1 6 6 THR CA C 13 61.935 0.000 . . . . . . . 101 T CA . 52290 1 27 . 1 . 1 6 6 THR CB C 13 69.790 0.000 . . . . . . . 101 T CB . 52290 1 28 . 1 . 1 6 6 THR N N 15 116.898 0.011 . . . . . . . 101 T N . 52290 1 29 . 1 . 1 7 7 VAL H H 1 8.077 0.003 . . . . . . . 102 V H . 52290 1 30 . 1 . 1 7 7 VAL C C 13 175.546 0.000 . . . . . . . 102 V C . 52290 1 31 . 1 . 1 7 7 VAL CA C 13 62.087 0.000 . . . . . . . 102 V CA . 52290 1 32 . 1 . 1 7 7 VAL CB C 13 32.976 0.000 . . . . . . . 102 V CB . 52290 1 33 . 1 . 1 7 7 VAL N N 15 123.169 0.000 . . . . . . . 102 V N . 52290 1 34 . 1 . 1 8 8 PHE H H 1 8.085 0.001 . . . . . . . 103 F H . 52290 1 35 . 1 . 1 8 8 PHE C C 13 176.213 0.000 . . . . . . . 103 F C . 52290 1 36 . 1 . 1 8 8 PHE CA C 13 55.790 0.000 . . . . . . . 103 F CA . 52290 1 37 . 1 . 1 8 8 PHE CB C 13 40.323 0.000 . . . . . . . 103 F CB . 52290 1 38 . 1 . 1 8 8 PHE N N 15 122.730 0.017 . . . . . . . 103 F N . 52290 1 39 . 1 . 1 9 9 SER H H 1 9.303 0.004 . . . . . . . 104 S H . 52290 1 40 . 1 . 1 9 9 SER C C 13 174.865 0.000 . . . . . . . 104 S C . 52290 1 41 . 1 . 1 9 9 SER CA C 13 56.820 0.000 . . . . . . . 104 S CA . 52290 1 42 . 1 . 1 9 9 SER CB C 13 65.457 0.000 . . . . . . . 104 S CB . 52290 1 43 . 1 . 1 9 9 SER N N 15 118.793 0.013 . . . . . . . 104 S N . 52290 1 44 . 1 . 1 10 10 GLN H H 1 9.017 0.002 . . . . . . . 105 Q H . 52290 1 45 . 1 . 1 10 10 GLN C C 13 178.522 0.000 . . . . . . . 105 Q C . 52290 1 46 . 1 . 1 10 10 GLN CA C 13 59.437 0.000 . . . . . . . 105 Q CA . 52290 1 47 . 1 . 1 10 10 GLN CB C 13 28.105 0.000 . . . . . . . 105 Q CB . 52290 1 48 . 1 . 1 10 10 GLN N N 15 121.274 0.004 . . . . . . . 105 Q N . 52290 1 49 . 1 . 1 11 11 ALA H H 1 8.485 0.000 . . . . . . . 106 A H . 52290 1 50 . 1 . 1 11 11 ALA C C 13 181.564 0.000 . . . . . . . 106 A C . 52290 1 51 . 1 . 1 11 11 ALA CA C 13 55.250 0.000 . . . . . . . 106 A CA . 52290 1 52 . 1 . 1 11 11 ALA CB C 13 18.364 0.000 . . . . . . . 106 A CB . 52290 1 53 . 1 . 1 11 11 ALA N N 15 121.039 0.000 . . . . . . . 106 A N . 52290 1 54 . 1 . 1 12 12 GLN H H 1 7.830 0.000 . . . . . . . 107 Q H . 52290 1 55 . 1 . 1 12 12 GLN C C 13 177.387 0.000 . . . . . . . 107 Q C . 52290 1 56 . 1 . 1 12 12 GLN CA C 13 58.930 0.000 . . . . . . . 107 Q CA . 52290 1 57 . 1 . 1 12 12 GLN CB C 13 28.132 0.000 . . . . . . . 107 Q CB . 52290 1 58 . 1 . 1 12 12 GLN N N 15 118.464 0.000 . . . . . . . 107 Q N . 52290 1 59 . 1 . 1 13 13 LEU H H 1 8.385 0.000 . . . . . . . 108 L H . 52290 1 60 . 1 . 1 13 13 LEU C C 13 178.869 0.000 . . . . . . . 108 L C . 52290 1 61 . 1 . 1 13 13 LEU CA C 13 57.985 0.000 . . . . . . . 108 L CA . 52290 1 62 . 1 . 1 13 13 LEU CB C 13 41.884 0.000 . . . . . . . 108 L CB . 52290 1 63 . 1 . 1 13 13 LEU N N 15 118.434 0.000 . . . . . . . 108 L N . 52290 1 64 . 1 . 1 14 14 CYS H H 1 8.415 0.001 . . . . . . . 109 C H . 52290 1 65 . 1 . 1 14 14 CYS C C 13 176.733 0.000 . . . . . . . 109 C C . 52290 1 66 . 1 . 1 14 14 CYS CA C 13 63.353 0.000 . . . . . . . 109 C CA . 52290 1 67 . 1 . 1 14 14 CYS CB C 13 26.652 0.000 . . . . . . . 109 C CB . 52290 1 68 . 1 . 1 14 14 CYS N N 15 116.758 0.015 . . . . . . . 109 C N . 52290 1 69 . 1 . 1 15 15 ALA H H 1 7.376 0.000 . . . . . . . 110 A H . 52290 1 70 . 1 . 1 15 15 ALA C C 13 180.897 0.000 . . . . . . . 110 A C . 52290 1 71 . 1 . 1 15 15 ALA CA C 13 54.996 0.000 . . . . . . . 110 A CA . 52290 1 72 . 1 . 1 15 15 ALA CB C 13 19.413 0.000 . . . . . . . 110 A CB . 52290 1 73 . 1 . 1 15 15 ALA N N 15 121.542 0.000 . . . . . . . 110 A N . 52290 1 74 . 1 . 1 16 16 LEU H H 1 7.944 0.002 . . . . . . . 111 L H . 52290 1 75 . 1 . 1 16 16 LEU C C 13 177.854 0.000 . . . . . . . 111 L C . 52290 1 76 . 1 . 1 16 16 LEU CA C 13 58.339 0.000 . . . . . . . 111 L CA . 52290 1 77 . 1 . 1 16 16 LEU CB C 13 38.681 0.000 . . . . . . . 111 L CB . 52290 1 78 . 1 . 1 16 16 LEU N N 15 120.925 0.019 . . . . . . . 111 L N . 52290 1 79 . 1 . 1 17 17 LYS H H 1 8.185 0.000 . . . . . . . 112 K H . 52290 1 80 . 1 . 1 17 17 LYS C C 13 179.429 0.000 . . . . . . . 112 K C . 52290 1 81 . 1 . 1 17 17 LYS CA C 13 60.568 0.000 . . . . . . . 112 K CA . 52290 1 82 . 1 . 1 17 17 LYS CB C 13 32.465 0.000 . . . . . . . 112 K CB . 52290 1 83 . 1 . 1 17 17 LYS N N 15 118.124 0.000 . . . . . . . 112 K N . 52290 1 84 . 1 . 1 18 18 ASP H H 1 8.145 0.000 . . . . . . . 113 D H . 52290 1 85 . 1 . 1 18 18 ASP C C 13 178.588 0.000 . . . . . . . 113 D C . 52290 1 86 . 1 . 1 18 18 ASP CA C 13 57.394 0.000 . . . . . . . 113 D CA . 52290 1 87 . 1 . 1 18 18 ASP CB C 13 41.399 0.000 . . . . . . . 113 D CB . 52290 1 88 . 1 . 1 18 18 ASP N N 15 119.293 0.000 . . . . . . . 113 D N . 52290 1 89 . 1 . 1 19 19 ARG H H 1 7.780 0.003 . . . . . . . 114 R H . 52290 1 90 . 1 . 1 19 19 ARG C C 13 177.961 0.000 . . . . . . . 114 R C . 52290 1 91 . 1 . 1 19 19 ARG CA C 13 57.411 0.000 . . . . . . . 114 R CA . 52290 1 92 . 1 . 1 19 19 ARG CB C 13 29.128 0.000 . . . . . . . 114 R CB . 52290 1 93 . 1 . 1 19 19 ARG N N 15 118.127 0.010 . . . . . . . 114 R N . 52290 1 94 . 1 . 1 20 20 PHE H H 1 8.821 0.000 . . . . . . . 115 F H . 52290 1 95 . 1 . 1 20 20 PHE C C 13 176.346 0.000 . . . . . . . 115 F C . 52290 1 96 . 1 . 1 20 20 PHE CA C 13 60.433 0.000 . . . . . . . 115 F CA . 52290 1 97 . 1 . 1 20 20 PHE CB C 13 39.731 0.000 . . . . . . . 115 F CB . 52290 1 98 . 1 . 1 20 20 PHE N N 15 120.373 0.000 . . . . . . . 115 F N . 52290 1 99 . 1 . 1 21 21 GLN H H 1 7.950 0.000 . . . . . . . 116 Q H . 52290 1 100 . 1 . 1 21 21 GLN C C 13 177.347 0.000 . . . . . . . 116 Q C . 52290 1 101 . 1 . 1 21 21 GLN CA C 13 58.204 0.000 . . . . . . . 116 Q CA . 52290 1 102 . 1 . 1 21 21 GLN CB C 13 28.724 0.000 . . . . . . . 116 Q CB . 52290 1 103 . 1 . 1 21 21 GLN N N 15 114.898 0.000 . . . . . . . 116 Q N . 52290 1 104 . 1 . 1 22 22 LYS H H 1 7.380 0.005 . . . . . . . 117 K H . 52290 1 105 . 1 . 1 22 22 LYS C C 13 177.040 0.000 . . . . . . . 117 K C . 52290 1 106 . 1 . 1 22 22 LYS CA C 13 57.529 0.000 . . . . . . . 117 K CA . 52290 1 107 . 1 . 1 22 22 LYS CB C 13 33.999 0.000 . . . . . . . 117 K CB . 52290 1 108 . 1 . 1 22 22 LYS N N 15 116.684 0.013 . . . . . . . 117 K N . 52290 1 109 . 1 . 1 23 23 GLN H H 1 8.469 0.000 . . . . . . . 118 Q H . 52290 1 110 . 1 . 1 23 23 GLN C C 13 172.463 0.000 . . . . . . . 118 Q C . 52290 1 111 . 1 . 1 23 23 GLN CA C 13 55.790 0.000 . . . . . . . 118 Q CA . 52290 1 112 . 1 . 1 23 23 GLN CB C 13 31.361 0.000 . . . . . . . 118 Q CB . 52290 1 113 . 1 . 1 23 23 GLN N N 15 121.127 0.000 . . . . . . . 118 Q N . 52290 1 114 . 1 . 1 24 24 LYS H H 1 8.001 0.005 . . . . . . . 119 K H . 52290 1 115 . 1 . 1 24 24 LYS C C 13 175.826 0.000 . . . . . . . 119 K C . 52290 1 116 . 1 . 1 24 24 LYS CA C 13 57.276 0.000 . . . . . . . 119 K CA . 52290 1 117 . 1 . 1 24 24 LYS CB C 13 32.922 0.000 . . . . . . . 119 K CB . 52290 1 118 . 1 . 1 24 24 LYS N N 15 120.551 0.004 . . . . . . . 119 K N . 52290 1 119 . 1 . 1 25 25 TYR H H 1 7.692 0.003 . . . . . . . 120 Y H . 52290 1 120 . 1 . 1 25 25 TYR C C 13 174.478 0.000 . . . . . . . 120 Y C . 52290 1 121 . 1 . 1 25 25 TYR CA C 13 56.972 0.000 . . . . . . . 120 Y CA . 52290 1 122 . 1 . 1 25 25 TYR CB C 13 40.242 0.000 . . . . . . . 120 Y CB . 52290 1 123 . 1 . 1 25 25 TYR N N 15 114.941 0.004 . . . . . . . 120 Y N . 52290 1 124 . 1 . 1 26 26 LEU H H 1 7.837 0.000 . . . . . . . 121 L H . 52290 1 125 . 1 . 1 26 26 LEU C C 13 176.613 0.000 . . . . . . . 121 L C . 52290 1 126 . 1 . 1 26 26 LEU CA C 13 53.882 0.000 . . . . . . . 121 L CA . 52290 1 127 . 1 . 1 26 26 LEU CB C 13 44.844 0.000 . . . . . . . 121 L CB . 52290 1 128 . 1 . 1 26 26 LEU N N 15 124.147 0.004 . . . . . . . 121 L N . 52290 1 129 . 1 . 1 27 27 SER H H 1 8.610 0.003 . . . . . . . 122 S H . 52290 1 130 . 1 . 1 27 27 SER C C 13 174.612 0.000 . . . . . . . 122 S C . 52290 1 131 . 1 . 1 27 27 SER CA C 13 56.853 0.000 . . . . . . . 122 S CA . 52290 1 132 . 1 . 1 27 27 SER CB C 13 65.457 0.000 . . . . . . . 122 S CB . 52290 1 133 . 1 . 1 27 27 SER N N 15 117.310 0.002 . . . . . . . 122 S N . 52290 1 134 . 1 . 1 28 28 LEU H H 1 8.740 0.000 . . . . . . . 123 L H . 52290 1 135 . 1 . 1 28 28 LEU C C 13 179.242 0.000 . . . . . . . 123 L C . 52290 1 136 . 1 . 1 28 28 LEU CA C 13 59.420 0.000 . . . . . . . 123 L CA . 52290 1 137 . 1 . 1 28 28 LEU CB C 13 41.534 0.000 . . . . . . . 123 L CB . 52290 1 138 . 1 . 1 28 28 LEU N N 15 122.844 0.000 . . . . . . . 123 L N . 52290 1 139 . 1 . 1 29 29 GLN H H 1 8.521 0.000 . . . . . . . 124 Q H . 52290 1 140 . 1 . 1 29 29 GLN C C 13 179.256 0.000 . . . . . . . 124 Q C . 52290 1 141 . 1 . 1 29 29 GLN CA C 13 59.572 0.000 . . . . . . . 124 Q CA . 52290 1 142 . 1 . 1 29 29 GLN CB C 13 27.890 0.000 . . . . . . . 124 Q CB . 52290 1 143 . 1 . 1 29 29 GLN N N 15 117.606 0.000 . . . . . . . 124 Q N . 52290 1 144 . 1 . 1 30 30 GLN H H 1 7.866 0.000 . . . . . . . 125 Q H . 52290 1 145 . 1 . 1 30 30 GLN C C 13 180.003 0.000 . . . . . . . 125 Q C . 52290 1 146 . 1 . 1 30 30 GLN CA C 13 58.660 0.000 . . . . . . . 125 Q CA . 52290 1 147 . 1 . 1 30 30 GLN CB C 13 28.993 0.000 . . . . . . . 125 Q CB . 52290 1 148 . 1 . 1 30 30 GLN N N 15 118.479 0.000 . . . . . . . 125 Q N . 52290 1 149 . 1 . 1 31 31 MET H H 1 8.736 0.000 . . . . . . . 126 M H . 52290 1 150 . 1 . 1 31 31 MET C C 13 178.829 0.000 . . . . . . . 126 M C . 52290 1 151 . 1 . 1 31 31 MET CA C 13 60.179 0.000 . . . . . . . 126 M CA . 52290 1 152 . 1 . 1 31 31 MET CB C 13 33.595 0.000 . . . . . . . 126 M CB . 52290 1 153 . 1 . 1 31 31 MET N N 15 120.595 0.000 . . . . . . . 126 M N . 52290 1 154 . 1 . 1 32 32 GLN H H 1 8.753 0.000 . . . . . . . 127 Q H . 52290 1 155 . 1 . 1 32 32 GLN C C 13 178.962 0.000 . . . . . . . 127 Q C . 52290 1 156 . 1 . 1 32 32 GLN CA C 13 59.774 0.000 . . . . . . . 127 Q CA . 52290 1 157 . 1 . 1 32 32 GLN CB C 13 27.917 0.000 . . . . . . . 127 Q CB . 52290 1 158 . 1 . 1 32 32 GLN N N 15 121.764 0.000 . . . . . . . 127 Q N . 52290 1 159 . 1 . 1 33 33 GLU H H 1 8.299 0.000 . . . . . . . 128 E H . 52290 1 160 . 1 . 1 33 33 GLU C C 13 178.655 0.000 . . . . . . . 128 E C . 52290 1 161 . 1 . 1 33 33 GLU CA C 13 59.589 0.000 . . . . . . . 128 E CA . 52290 1 162 . 1 . 1 33 33 GLU CB C 13 29.720 0.000 . . . . . . . 128 E CB . 52290 1 163 . 1 . 1 33 33 GLU N N 15 121.334 0.000 . . . . . . . 128 E N . 52290 1 164 . 1 . 1 34 34 LEU H H 1 8.072 0.005 . . . . . . . 129 L H . 52290 1 165 . 1 . 1 34 34 LEU C C 13 178.215 0.000 . . . . . . . 129 L C . 52290 1 166 . 1 . 1 34 34 LEU CA C 13 57.613 0.000 . . . . . . . 129 L CA . 52290 1 167 . 1 . 1 34 34 LEU CB C 13 42.556 0.000 . . . . . . . 129 L CB . 52290 1 168 . 1 . 1 34 34 LEU N N 15 119.528 0.002 . . . . . . . 129 L N . 52290 1 169 . 1 . 1 35 35 SER H H 1 8.243 0.000 . . . . . . . 130 S H . 52290 1 170 . 1 . 1 35 35 SER C C 13 175.999 0.000 . . . . . . . 130 S C . 52290 1 171 . 1 . 1 35 35 SER CA C 13 62.661 0.000 . . . . . . . 130 S CA . 52290 1 172 . 1 . 1 35 35 SER CB C 13 63.008 0.000 . . . . . . . 130 S CB . 52290 1 173 . 1 . 1 35 35 SER N N 15 113.773 0.000 . . . . . . . 130 S N . 52290 1 174 . 1 . 1 36 36 SER H H 1 7.688 0.000 . . . . . . . 131 S H . 52290 1 175 . 1 . 1 36 36 SER C C 13 177.641 0.000 . . . . . . . 131 S C . 52290 1 176 . 1 . 1 36 36 SER CA C 13 61.564 0.000 . . . . . . . 131 S CA . 52290 1 177 . 1 . 1 36 36 SER CB C 13 63.062 0.000 . . . . . . . 131 S CB . 52290 1 178 . 1 . 1 36 36 SER N N 15 116.363 0.000 . . . . . . . 131 S N . 52290 1 179 . 1 . 1 37 37 ILE H H 1 8.024 0.000 . . . . . . . 132 I H . 52290 1 180 . 1 . 1 37 37 ILE C C 13 177.921 0.000 . . . . . . . 132 I C . 52290 1 181 . 1 . 1 37 37 ILE CA C 13 64.417 0.000 . . . . . . . 132 I CA . 52290 1 182 . 1 . 1 37 37 ILE CB C 13 38.627 0.000 . . . . . . . 132 I CB . 52290 1 183 . 1 . 1 37 37 ILE N N 15 121.024 0.000 . . . . . . . 132 I N . 52290 1 184 . 1 . 1 38 38 LEU H H 1 7.851 0.000 . . . . . . . 133 L H . 52290 1 185 . 1 . 1 38 38 LEU C C 13 176.346 0.000 . . . . . . . 133 L C . 52290 1 186 . 1 . 1 38 38 LEU CA C 13 54.557 0.000 . . . . . . . 133 L CA . 52290 1 187 . 1 . 1 38 38 LEU CB C 13 42.745 0.000 . . . . . . . 133 L CB . 52290 1 188 . 1 . 1 38 38 LEU N N 15 116.274 0.000 . . . . . . . 133 L N . 52290 1 189 . 1 . 1 39 39 ASN H H 1 7.925 0.001 . . . . . . . 134 N H . 52290 1 190 . 1 . 1 39 39 ASN C C 13 173.838 0.000 . . . . . . . 134 N C . 52290 1 191 . 1 . 1 39 39 ASN CA C 13 54.473 0.000 . . . . . . . 134 N CA . 52290 1 192 . 1 . 1 39 39 ASN CB C 13 37.040 0.000 . . . . . . . 134 N CB . 52290 1 193 . 1 . 1 39 39 ASN N N 15 116.737 0.015 . . . . . . . 134 N N . 52290 1 194 . 1 . 1 40 40 LEU H H 1 8.160 0.000 . . . . . . . 135 L H . 52290 1 195 . 1 . 1 40 40 LEU C C 13 176.280 0.000 . . . . . . . 135 L C . 52290 1 196 . 1 . 1 40 40 LEU CA C 13 52.616 0.000 . . . . . . . 135 L CA . 52290 1 197 . 1 . 1 40 40 LEU CB C 13 47.750 0.000 . . . . . . . 135 L CB . 52290 1 198 . 1 . 1 40 40 LEU N N 15 118.183 0.000 . . . . . . . 135 L N . 52290 1 199 . 1 . 1 41 41 SER H H 1 8.868 0.005 . . . . . . . 136 S H . 52290 1 200 . 1 . 1 41 41 SER C C 13 175.639 0.000 . . . . . . . 136 S C . 52290 1 201 . 1 . 1 41 41 SER CA C 13 57.276 0.000 . . . . . . . 136 S CA . 52290 1 202 . 1 . 1 41 41 SER CB C 13 64.973 0.000 . . . . . . . 136 S CB . 52290 1 203 . 1 . 1 41 41 SER N N 15 116.303 0.004 . . . . . . . 136 S N . 52290 1 204 . 1 . 1 42 42 TYR H H 1 9.057 0.000 . . . . . . . 137 Y H . 52290 1 205 . 1 . 1 42 42 TYR C C 13 177.014 0.000 . . . . . . . 137 Y C . 52290 1 206 . 1 . 1 42 42 TYR CA C 13 61.294 0.000 . . . . . . . 137 Y CA . 52290 1 207 . 1 . 1 42 42 TYR CB C 13 38.008 0.000 . . . . . . . 137 Y CB . 52290 1 208 . 1 . 1 42 42 TYR N N 15 124.989 0.000 . . . . . . . 137 Y N . 52290 1 209 . 1 . 1 43 43 LYS H H 1 8.397 0.000 . . . . . . . 138 K H . 52290 1 210 . 1 . 1 43 43 LYS C C 13 179.589 0.000 . . . . . . . 138 K C . 52290 1 211 . 1 . 1 43 43 LYS CA C 13 59.926 0.000 . . . . . . . 138 K CA . 52290 1 212 . 1 . 1 43 43 LYS CB C 13 32.519 0.000 . . . . . . . 138 K CB . 52290 1 213 . 1 . 1 43 43 LYS N N 15 117.739 0.000 . . . . . . . 138 K N . 52290 1 214 . 1 . 1 44 44 GLN H H 1 7.960 0.000 . . . . . . . 139 Q H . 52290 1 215 . 1 . 1 44 44 GLN C C 13 179.202 0.000 . . . . . . . 139 Q C . 52290 1 216 . 1 . 1 44 44 GLN CA C 13 59.285 0.000 . . . . . . . 139 Q CA . 52290 1 217 . 1 . 1 44 44 GLN CB C 13 29.343 0.000 . . . . . . . 139 Q CB . 52290 1 218 . 1 . 1 44 44 GLN N N 15 119.396 0.000 . . . . . . . 139 Q N . 52290 1 219 . 1 . 1 45 45 VAL H H 1 7.844 0.000 . . . . . . . 140 V H . 52290 1 220 . 1 . 1 45 45 VAL C C 13 177.054 0.000 . . . . . . . 140 V C . 52290 1 221 . 1 . 1 45 45 VAL CA C 13 67.675 0.000 . . . . . . . 140 V CA . 52290 1 222 . 1 . 1 45 45 VAL CB C 13 32.061 0.000 . . . . . . . 140 V CB . 52290 1 223 . 1 . 1 45 45 VAL N N 15 120.844 0.007 . . . . . . . 140 V N . 52290 1 224 . 1 . 1 46 46 LYS H H 1 8.823 0.001 . . . . . . . 141 K H . 52290 1 225 . 1 . 1 46 46 LYS C C 13 179.856 0.000 . . . . . . . 141 K C . 52290 1 226 . 1 . 1 46 46 LYS CA C 13 60.314 0.000 . . . . . . . 141 K CA . 52290 1 227 . 1 . 1 46 46 LYS CB C 13 32.707 0.000 . . . . . . . 141 K CB . 52290 1 228 . 1 . 1 46 46 LYS N N 15 121.233 0.006 . . . . . . . 141 K N . 52290 1 229 . 1 . 1 47 47 THR H H 1 8.299 0.000 . . . . . . . 142 T H . 52290 1 230 . 1 . 1 47 47 THR C C 13 175.359 0.000 . . . . . . . 142 T C . 52290 1 231 . 1 . 1 47 47 THR CA C 13 66.629 0.000 . . . . . . . 142 T CA . 52290 1 232 . 1 . 1 47 47 THR CB C 13 69.171 0.000 . . . . . . . 142 T CB . 52290 1 233 . 1 . 1 47 47 THR N N 15 115.431 0.000 . . . . . . . 142 T N . 52290 1 234 . 1 . 1 48 48 TRP H H 1 8.222 0.000 . . . . . . . 143 W H . 52290 1 235 . 1 . 1 48 48 TRP HE1 H 1 9.507 0.000 . . . . . . . 143 W HE1 . 52290 1 236 . 1 . 1 48 48 TRP C C 13 179.202 0.000 . . . . . . . 143 W C . 52290 1 237 . 1 . 1 48 48 TRP CA C 13 63.539 0.000 . . . . . . . 143 W CA . 52290 1 238 . 1 . 1 48 48 TRP CB C 13 28.617 0.000 . . . . . . . 143 W CB . 52290 1 239 . 1 . 1 48 48 TRP N N 15 123.732 0.000 . . . . . . . 143 W N . 52290 1 240 . 1 . 1 48 48 TRP NE1 N 15 128.893 0.000 . . . . . . . 143 W NE1 . 52290 1 241 . 1 . 1 49 49 PHE H H 1 8.736 0.004 . . . . . . . 144 F H . 52290 1 242 . 1 . 1 49 49 PHE C C 13 178.041 0.000 . . . . . . . 144 F C . 52290 1 243 . 1 . 1 49 49 PHE CA C 13 63.674 0.000 . . . . . . . 144 F CA . 52290 1 244 . 1 . 1 49 49 PHE CB C 13 39.569 0.000 . . . . . . . 144 F CB . 52290 1 245 . 1 . 1 49 49 PHE N N 15 118.171 0.010 . . . . . . . 144 F N . 52290 1 246 . 1 . 1 50 50 GLN H H 1 8.062 0.005 . . . . . . . 145 Q H . 52290 1 247 . 1 . 1 50 50 GLN C C 13 178.655 0.000 . . . . . . . 145 Q C . 52290 1 248 . 1 . 1 50 50 GLN CA C 13 59.369 0.000 . . . . . . . 145 Q CA . 52290 1 249 . 1 . 1 50 50 GLN CB C 13 28.428 0.000 . . . . . . . 145 Q CB . 52290 1 250 . 1 . 1 50 50 GLN N N 15 117.927 0.015 . . . . . . . 145 Q N . 52290 1 251 . 1 . 1 51 51 ASN H H 1 8.354 0.000 . . . . . . . 146 N H . 52290 1 252 . 1 . 1 51 51 ASN C C 13 177.801 0.000 . . . . . . . 146 N C . 52290 1 253 . 1 . 1 51 51 ASN CA C 13 55.503 0.000 . . . . . . . 146 N CA . 52290 1 254 . 1 . 1 51 51 ASN CB C 13 37.874 0.000 . . . . . . . 146 N CB . 52290 1 255 . 1 . 1 51 51 ASN N N 15 117.946 0.000 . . . . . . . 146 N N . 52290 1 256 . 1 . 1 52 52 GLN H H 1 7.952 0.001 . . . . . . . 147 Q H . 52290 1 257 . 1 . 1 52 52 GLN C C 13 178.682 0.000 . . . . . . . 147 Q C . 52290 1 258 . 1 . 1 52 52 GLN CA C 13 57.377 0.000 . . . . . . . 147 Q CA . 52290 1 259 . 1 . 1 52 52 GLN CB C 13 26.544 0.000 . . . . . . . 147 Q CB . 52290 1 260 . 1 . 1 52 52 GLN N N 15 120.688 0.019 . . . . . . . 147 Q N . 52290 1 261 . 1 . 1 53 53 ARG H H 1 7.878 0.001 . . . . . . . 148 R H . 52290 1 262 . 1 . 1 53 53 ARG C C 13 178.575 0.000 . . . . . . . 148 R C . 52290 1 263 . 1 . 1 53 53 ARG CA C 13 59.977 0.000 . . . . . . . 148 R CA . 52290 1 264 . 1 . 1 53 53 ARG CB C 13 31.119 0.000 . . . . . . . 148 R CB . 52290 1 265 . 1 . 1 53 53 ARG N N 15 117.886 0.002 . . . . . . . 148 R N . 52290 1 266 . 1 . 1 54 54 MET H H 1 7.520 0.005 . . . . . . . 149 M H . 52290 1 267 . 1 . 1 54 54 MET C C 13 177.534 0.000 . . . . . . . 149 M C . 52290 1 268 . 1 . 1 54 54 MET CA C 13 57.174 0.000 . . . . . . . 149 M CA . 52290 1 269 . 1 . 1 54 54 MET CB C 13 32.572 0.000 . . . . . . . 149 M CB . 52290 1 270 . 1 . 1 54 54 MET N N 15 116.791 0.002 . . . . . . . 149 M N . 52290 1 271 . 1 . 1 55 55 LYS H H 1 7.622 0.004 . . . . . . . 150 K H . 52290 1 272 . 1 . 1 55 55 LYS C C 13 177.227 0.000 . . . . . . . 150 K C . 52290 1 273 . 1 . 1 55 55 LYS CA C 13 57.630 0.000 . . . . . . . 150 K CA . 52290 1 274 . 1 . 1 55 55 LYS CB C 13 32.653 0.000 . . . . . . . 150 K CB . 52290 1 275 . 1 . 1 55 55 LYS N N 15 118.950 0.008 . . . . . . . 150 K N . 52290 1 276 . 1 . 1 56 56 CYS H H 1 7.721 0.005 . . . . . . . 151 C H . 52290 1 277 . 1 . 1 56 56 CYS C C 13 174.705 0.000 . . . . . . . 151 C C . 52290 1 278 . 1 . 1 56 56 CYS CA C 13 59.369 0.000 . . . . . . . 151 C CA . 52290 1 279 . 1 . 1 56 56 CYS CB C 13 27.917 0.000 . . . . . . . 151 C CB . 52290 1 280 . 1 . 1 56 56 CYS N N 15 117.277 0.010 . . . . . . . 151 C N . 52290 1 281 . 1 . 1 57 57 LYS H H 1 7.994 0.002 . . . . . . . 152 K H . 52290 1 282 . 1 . 1 57 57 LYS C C 13 176.453 0.000 . . . . . . . 152 K C . 52290 1 283 . 1 . 1 57 57 LYS CA C 13 56.938 0.000 . . . . . . . 152 K CA . 52290 1 284 . 1 . 1 57 57 LYS CB C 13 32.707 0.000 . . . . . . . 152 K CB . 52290 1 285 . 1 . 1 57 57 LYS N N 15 122.682 0.002 . . . . . . . 152 K N . 52290 1 286 . 1 . 1 58 58 ARG H H 1 8.016 0.000 . . . . . . . 153 R H . 52290 1 287 . 1 . 1 58 58 ARG C C 13 175.746 0.000 . . . . . . . 153 R C . 52290 1 288 . 1 . 1 58 58 ARG CA C 13 56.347 0.000 . . . . . . . 153 R CA . 52290 1 289 . 1 . 1 58 58 ARG CB C 13 30.689 0.000 . . . . . . . 153 R CB . 52290 1 290 . 1 . 1 58 58 ARG N N 15 120.772 0.000 . . . . . . . 153 R N . 52290 1 291 . 1 . 1 59 59 TRP H H 1 8.011 0.000 . . . . . . . 154 W H . 52290 1 292 . 1 . 1 59 59 TRP HE1 H 1 10.102 0.000 . . . . . . . 154 W HE1 . 52290 1 293 . 1 . 1 59 59 TRP C C 13 175.105 0.000 . . . . . . . 154 W C . 52290 1 294 . 1 . 1 59 59 TRP CA C 13 56.938 0.000 . . . . . . . 154 W CA . 52290 1 295 . 1 . 1 59 59 TRP CB C 13 29.639 0.000 . . . . . . . 154 W CB . 52290 1 296 . 1 . 1 59 59 TRP N N 15 121.556 0.000 . . . . . . . 154 W N . 52290 1 297 . 1 . 1 59 59 TRP NE1 N 15 129.252 0.000 . . . . . . . 154 W NE1 . 52290 1 298 . 1 . 1 60 60 GLN H H 1 7.701 0.000 . . . . . . . 155 Q H . 52290 1 299 . 1 . 1 60 60 GLN C C 13 180.242 0.000 . . . . . . . 155 Q C . 52290 1 300 . 1 . 1 60 60 GLN CA C 13 57.457 0.000 . . . . . . . 155 Q CA . 52290 1 301 . 1 . 1 60 60 GLN CB C 13 30.877 0.000 . . . . . . . 155 Q CB . 52290 1 302 . 1 . 1 60 60 GLN N N 15 125.522 0.000 . . . . . . . 155 Q N . 52290 1 stop_ save_