data_51429 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51429 _Entry.Title ; Full-length Variant 5 (CTD only) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-05-06 _Entry.Accession_date 2022-05-06 _Entry.Last_release_date 2022-05-06 _Entry.Original_release_date 2022-05-06 _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 Lauren Porter . . . . 51429 2 Mary Starich . . . . 51429 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51429 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 128 51429 '15N chemical shifts' 45 51429 '1H chemical shifts' 45 51429 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 . . 2022-10-10 2022-05-06 update BMRB 'update entry citation' 51429 1 . . 2022-05-16 2022-05-06 original author 'original release' 51429 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51428 'Variant 5 isolated CTD' 51429 BMRB 51433 'Variant 8 CTD' 51429 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51429 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35778397 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Many dissimilar NusG protein domains switch between alpha-helix and beta-sheet folds ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 13 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 3802 _Citation.Page_last 3802 _Citation.Year 2022 _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 Lauren Porter L. L. . . 51429 1 2 Allen Kim A. K. . . 51429 1 3 Swechha Rimal S. . . . 51429 1 4 Loren Looger L. L. . . 51429 1 5 Ananya Majumdar A. . . . 51429 1 6 Brett Mensh B. D. . . 51429 1 7 Mary Starich M. R. . . 51429 1 8 Marie-Paule Strub M. P. . . 51429 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51429 _Assembly.ID 1 _Assembly.Name 'Variant 5 CTD full-length (CTD only)' _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 'Variant 5 full-length (CTD only)' 1 $entity_1 . . yes native no no . . . 51429 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51429 _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 ; FIDTKSEEFKKGDTILIKDG PFKDFVGIFQEELDSKGRVS ILLKTLALQPRITVDKDMIE KLHN ; _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 64 _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 1 105 PHE . 51429 1 2 106 ILE . 51429 1 3 107 ASP . 51429 1 4 108 THR . 51429 1 5 109 LYS . 51429 1 6 110 SER . 51429 1 7 111 GLU . 51429 1 8 112 GLU . 51429 1 9 113 PHE . 51429 1 10 114 LYS . 51429 1 11 115 LYS . 51429 1 12 116 GLY . 51429 1 13 117 ASP . 51429 1 14 118 THR . 51429 1 15 119 ILE . 51429 1 16 120 LEU . 51429 1 17 121 ILE . 51429 1 18 122 LYS . 51429 1 19 123 ASP . 51429 1 20 124 GLY . 51429 1 21 125 PRO . 51429 1 22 126 PHE . 51429 1 23 127 LYS . 51429 1 24 128 ASP . 51429 1 25 129 PHE . 51429 1 26 130 VAL . 51429 1 27 131 GLY . 51429 1 28 132 ILE . 51429 1 29 133 PHE . 51429 1 30 134 GLN . 51429 1 31 135 GLU . 51429 1 32 136 GLU . 51429 1 33 137 LEU . 51429 1 34 138 ASP . 51429 1 35 139 SER . 51429 1 36 140 LYS . 51429 1 37 141 GLY . 51429 1 38 142 ARG . 51429 1 39 143 VAL . 51429 1 40 144 SER . 51429 1 41 145 ILE . 51429 1 42 146 LEU . 51429 1 43 147 LEU . 51429 1 44 148 LYS . 51429 1 45 149 THR . 51429 1 46 150 LEU . 51429 1 47 151 ALA . 51429 1 48 152 LEU . 51429 1 49 153 GLN . 51429 1 50 154 PRO . 51429 1 51 155 ARG . 51429 1 52 156 ILE . 51429 1 53 157 THR . 51429 1 54 158 VAL . 51429 1 55 159 ASP . 51429 1 56 160 LYS . 51429 1 57 161 ASP . 51429 1 58 162 MET . 51429 1 59 163 ILE . 51429 1 60 164 GLU . 51429 1 61 165 LYS . 51429 1 62 166 LEU . 51429 1 63 167 HIS . 51429 1 64 168 ASN . 51429 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 . PHE 1 1 51429 1 . ILE 2 2 51429 1 . ASP 3 3 51429 1 . THR 4 4 51429 1 . LYS 5 5 51429 1 . SER 6 6 51429 1 . GLU 7 7 51429 1 . GLU 8 8 51429 1 . PHE 9 9 51429 1 . LYS 10 10 51429 1 . LYS 11 11 51429 1 . GLY 12 12 51429 1 . ASP 13 13 51429 1 . THR 14 14 51429 1 . ILE 15 15 51429 1 . LEU 16 16 51429 1 . ILE 17 17 51429 1 . LYS 18 18 51429 1 . ASP 19 19 51429 1 . GLY 20 20 51429 1 . PRO 21 21 51429 1 . PHE 22 22 51429 1 . LYS 23 23 51429 1 . ASP 24 24 51429 1 . PHE 25 25 51429 1 . VAL 26 26 51429 1 . GLY 27 27 51429 1 . ILE 28 28 51429 1 . PHE 29 29 51429 1 . GLN 30 30 51429 1 . GLU 31 31 51429 1 . GLU 32 32 51429 1 . LEU 33 33 51429 1 . ASP 34 34 51429 1 . SER 35 35 51429 1 . LYS 36 36 51429 1 . GLY 37 37 51429 1 . ARG 38 38 51429 1 . VAL 39 39 51429 1 . SER 40 40 51429 1 . ILE 41 41 51429 1 . LEU 42 42 51429 1 . LEU 43 43 51429 1 . LYS 44 44 51429 1 . THR 45 45 51429 1 . LEU 46 46 51429 1 . ALA 47 47 51429 1 . LEU 48 48 51429 1 . GLN 49 49 51429 1 . PRO 50 50 51429 1 . ARG 51 51 51429 1 . ILE 52 52 51429 1 . THR 53 53 51429 1 . VAL 54 54 51429 1 . ASP 55 55 51429 1 . LYS 56 56 51429 1 . ASP 57 57 51429 1 . MET 58 58 51429 1 . ILE 59 59 51429 1 . GLU 60 60 51429 1 . LYS 61 61 51429 1 . LEU 62 62 51429 1 . HIS 63 63 51429 1 . ASN 64 64 51429 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 51429 _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 . 477976 organism . 'Calditerrivibrio nitroreducens' 'Calditerrivibrio nitroreducens' . . Bacteria . Calditerrivibrio nitroreducens . . . . . . . . . . . . . 51429 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 51429 _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 BL21-DE3 . . plasmid . . pPAL7 . . . 51429 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51429 _Sample.ID 1 _Sample.Name 'Variant 5 Full Length' _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 'Variant 5 full-length (CTD only)' '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 135 . . uM . . . . 51429 1 2 HEPES 'natural abundance' . . . . . . 25 . . mM . . . . 51429 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 51429 1 4 'deuterated glycerol (Sigma Aldrich)' 'natural abundance' . . . . . . 5 . . % . . . . 51429 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 51429 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 51429 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'HEPES buffer' _Sample_condition_list.Details '25 mM HEPES, 50 mM NaCl, 5% deuterated glycerol (Sigma Aldrich), 1 mM DTT' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 . pH 51429 1 pressure 1 . atm 51429 1 temperature 308 . K 51429 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51429 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51429 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51429 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51429 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51429 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III 600 MHz spectrometers equipped with z-gradient cryoprobes' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 51429 _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 . . . . . . . . . . . . . . . . . 51429 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51429 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51429 1 4 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51429 1 5 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51429 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 51429 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'NHLBI Avance III standard' _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 TSP 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 51429 1 H 1 TSP 'methyl protons' . . . . ppm 0.00 external direct 1 . . . . . 51429 1 N 15 TSP 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51429 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 51429 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Variant 5 full-length (CTD only)' _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' . . . 51429 1 2 '3D HNCO' . . . 51429 1 3 '3D HNCACB' . . . 51429 1 4 '3D HNCA' . . . 51429 1 5 '3D HN(CO)CA' . . . 51429 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 . . 51429 1 2 $software_2 . . 51429 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 PHE H H 1 7.758 . . . . . . . . 105 F HN . 51429 1 2 . 1 . 1 1 1 PHE C C 13 174.999 . . . . . . . . 105 F C . 51429 1 3 . 1 . 1 1 1 PHE CA C 13 56.342 . . . . . . . . 105 F CA . 51429 1 4 . 1 . 1 1 1 PHE CB C 13 42.220 . . . . . . . . 105 F CB . 51429 1 5 . 1 . 1 1 1 PHE N N 15 117.046 . . . . . . . . 105 F N . 51429 1 6 . 1 . 1 2 2 ILE H H 1 9.053 . . . . . . . . 106 I HN . 51429 1 7 . 1 . 1 2 2 ILE C C 13 174.773 . . . . . . . . 106 I C . 51429 1 8 . 1 . 1 2 2 ILE CA C 13 59.576 . . . . . . . . 106 I CA . 51429 1 9 . 1 . 1 2 2 ILE CB C 13 36.803 . . . . . . . . 106 I CB . 51429 1 10 . 1 . 1 2 2 ILE N N 15 121.398 . . . . . . . . 106 I N . 51429 1 11 . 1 . 1 3 3 ASP H H 1 8.794 . . . . . . . . 107 D HN . 51429 1 12 . 1 . 1 3 3 ASP C C 13 177.268 . . . . . . . . 107 D C . 51429 1 13 . 1 . 1 3 3 ASP CA C 13 52.624 . . . . . . . . 107 D CA . 51429 1 14 . 1 . 1 3 3 ASP CB C 13 41.699 . . . . . . . . 107 D CB . 51429 1 15 . 1 . 1 3 3 ASP N N 15 128.154 . . . . . . . . 107 D N . 51429 1 16 . 1 . 1 4 4 THR H H 1 8.427 . . . . . . . . 108 T HN . 51429 1 17 . 1 . 1 4 4 THR C C 13 174.886 . . . . . . . . 108 T C . 51429 1 18 . 1 . 1 4 4 THR CA C 13 62.394 . . . . . . . . 108 T CA . 51429 1 19 . 1 . 1 4 4 THR CB C 13 68.214 . . . . . . . . 108 T CB . 51429 1 20 . 1 . 1 4 4 THR N N 15 115.776 . . . . . . . . 108 T N . 51429 1 21 . 1 . 1 5 5 LYS H H 1 8.233 . . . . . . . . 109 K HN . 51429 1 22 . 1 . 1 5 5 LYS C C 13 177.274 . . . . . . . . 109 K C . 51429 1 23 . 1 . 1 5 5 LYS CA C 13 55.857 . . . . . . . . 109 K CA . 51429 1 24 . 1 . 1 5 5 LYS CB C 13 31.491 . . . . . . . . 109 K CB . 51429 1 25 . 1 . 1 5 5 LYS N N 15 120.741 . . . . . . . . 109 K N . 51429 1 26 . 1 . 1 6 6 SER H H 1 7.994 . . . . . . . . 110 S HN . 51429 1 27 . 1 . 1 6 6 SER C C 13 176.390 . . . . . . . . 110 S C . 51429 1 28 . 1 . 1 6 6 SER CA C 13 58.513 . . . . . . . . 110 S CA . 51429 1 29 . 1 . 1 6 6 SER CB C 13 63.825 . . . . . . . . 110 S CB . 51429 1 30 . 1 . 1 6 6 SER N N 15 115.963 . . . . . . . . 110 S N . 51429 1 31 . 1 . 1 7 7 GLU H H 1 7.837 . . . . . . . . 111 E HN . 51429 1 32 . 1 . 1 7 7 GLU C C 13 177.085 . . . . . . . . 111 E C . 51429 1 33 . 1 . 1 7 7 GLU CA C 13 56.689 . . . . . . . . 111 E CA . 51429 1 34 . 1 . 1 7 7 GLU CB C 13 31.722 . . . . . . . . 111 E CB . 51429 1 35 . 1 . 1 7 7 GLU N N 15 120.373 . . . . . . . . 111 E N . 51429 1 36 . 1 . 1 8 8 GLU H H 1 7.946 . . . . . . . . 112 E HN . 51429 1 37 . 1 . 1 8 8 GLU CA C 13 56.365 . . . . . . . . 112 E CA . 51429 1 38 . 1 . 1 8 8 GLU CB C 13 31.560 . . . . . . . . 112 E CB . 51429 1 39 . 1 . 1 8 8 GLU N N 15 120.366 . . . . . . . . 112 E N . 51429 1 40 . 1 . 1 9 9 PHE C C 13 178.088 . . . . . . . . 113 F C . 51429 1 41 . 1 . 1 9 9 PHE CA C 13 62.232 . . . . . . . . 113 F CA . 51429 1 42 . 1 . 1 10 10 LYS H H 1 8.722 . . . . . . . . 114 K HN . 51429 1 43 . 1 . 1 10 10 LYS C C 13 176.600 . . . . . . . . 114 K C . 51429 1 44 . 1 . 1 10 10 LYS CA C 13 56.874 . . . . . . . . 114 K CA . 51429 1 45 . 1 . 1 10 10 LYS CB C 13 33.108 . . . . . . . . 114 K CB . 51429 1 46 . 1 . 1 10 10 LYS N N 15 117.328 . . . . . . . . 114 K N . 51429 1 47 . 1 . 1 11 11 LYS H H 1 7.405 . . . . . . . . 115 K HN . 51429 1 48 . 1 . 1 11 11 LYS C C 13 180.006 . . . . . . . . 115 K C . 51429 1 49 . 1 . 1 11 11 LYS CA C 13 59.206 . . . . . . . . 115 K CA . 51429 1 50 . 1 . 1 11 11 LYS CB C 13 31.075 . . . . . . . . 115 K CB . 51429 1 51 . 1 . 1 11 11 LYS N N 15 120.099 . . . . . . . . 115 K N . 51429 1 52 . 1 . 1 12 12 GLY H H 1 8.368 . . . . . . . . 116 G HN . 51429 1 53 . 1 . 1 12 12 GLY CA C 13 46.596 . . . . . . . . 116 G CA . 51429 1 54 . 1 . 1 12 12 GLY N N 15 110.182 . . . . . . . . 116 G N . 51429 1 55 . 1 . 1 14 14 THR C C 13 175.732 . . . . . . . . 118 T C . 51429 1 56 . 1 . 1 14 14 THR CA C 13 62.209 . . . . . . . . 118 T CA . 51429 1 57 . 1 . 1 14 14 THR CB C 13 69.369 . . . . . . . . 118 T CB . 51429 1 58 . 1 . 1 15 15 ILE H H 1 7.876 . . . . . . . . 119 I HN . 51429 1 59 . 1 . 1 15 15 ILE C C 13 176.125 . . . . . . . . 119 I C . 51429 1 60 . 1 . 1 15 15 ILE CA C 13 61.262 . . . . . . . . 119 I CA . 51429 1 61 . 1 . 1 15 15 ILE CB C 13 37.265 . . . . . . . . 119 I CB . 51429 1 62 . 1 . 1 15 15 ILE N N 15 121.990 . . . . . . . . 119 I N . 51429 1 63 . 1 . 1 16 16 LEU H H 1 8.105 . . . . . . . . 120 L HN . 51429 1 64 . 1 . 1 16 16 LEU C C 13 177.268 . . . . . . . . 120 L C . 51429 1 65 . 1 . 1 16 16 LEU CA C 13 55.164 . . . . . . . . 120 L CA . 51429 1 66 . 1 . 1 16 16 LEU CB C 13 41.053 . . . . . . . . 120 L CB . 51429 1 67 . 1 . 1 16 16 LEU N N 15 124.343 . . . . . . . . 120 L N . 51429 1 68 . 1 . 1 17 17 ILE H H 1 7.846 . . . . . . . . 121 I HN . 51429 1 69 . 1 . 1 17 17 ILE C C 13 176.363 . . . . . . . . 121 I C . 51429 1 70 . 1 . 1 17 17 ILE CA C 13 60.638 . . . . . . . . 121 I CA . 51429 1 71 . 1 . 1 17 17 ILE CB C 13 37.611 . . . . . . . . 121 I CB . 51429 1 72 . 1 . 1 17 17 ILE N N 15 119.926 . . . . . . . . 121 I N . 51429 1 73 . 1 . 1 18 18 LYS H H 1 8.164 . . . . . . . . 122 K HN . 51429 1 74 . 1 . 1 18 18 LYS C C 13 175.732 . . . . . . . . 122 K C . 51429 1 75 . 1 . 1 18 18 LYS CA C 13 56.643 . . . . . . . . 122 K CA . 51429 1 76 . 1 . 1 18 18 LYS CB C 13 31.791 . . . . . . . . 122 K CB . 51429 1 77 . 1 . 1 18 18 LYS N N 15 123.997 . . . . . . . . 122 K N . 51429 1 78 . 1 . 1 19 19 ASP H H 1 8.037 . . . . . . . . 123 D HN . 51429 1 79 . 1 . 1 19 19 ASP C C 13 175.861 . . . . . . . . 123 D C . 51429 1 80 . 1 . 1 19 19 ASP CA C 13 53.963 . . . . . . . . 123 D CA . 51429 1 81 . 1 . 1 19 19 ASP CB C 13 41.284 . . . . . . . . 123 D CB . 51429 1 82 . 1 . 1 19 19 ASP N N 15 118.793 . . . . . . . . 123 D N . 51429 1 83 . 1 . 1 20 20 GLY H H 1 7.922 . . . . . . . . 124 G HN . 51429 1 84 . 1 . 1 20 20 GLY CA C 13 44.817 . . . . . . . . 124 G CA . 51429 1 85 . 1 . 1 20 20 GLY N N 15 108.262 . . . . . . . . 124 G N . 51429 1 86 . 1 . 1 22 22 PHE C C 13 179.521 . . . . . . . . 126 F C . 51429 1 87 . 1 . 1 22 22 PHE CA C 13 64.957 . . . . . . . . 126 F CA . 51429 1 88 . 1 . 1 23 23 LYS H H 1 7.925 . . . . . . . . 127 K HN . 51429 1 89 . 1 . 1 23 23 LYS C C 13 177.926 . . . . . . . . 127 K C . 51429 1 90 . 1 . 1 23 23 LYS CA C 13 59.137 . . . . . . . . 127 K CA . 51429 1 91 . 1 . 1 23 23 LYS N N 15 124.765 . . . . . . . . 127 K N . 51429 1 92 . 1 . 1 24 24 ASP H H 1 8.321 . . . . . . . . 128 D HN . 51429 1 93 . 1 . 1 24 24 ASP C C 13 178.524 . . . . . . . . 128 D C . 51429 1 94 . 1 . 1 24 24 ASP CA C 13 55.904 . . . . . . . . 128 D CA . 51429 1 95 . 1 . 1 24 24 ASP CB C 13 39.574 . . . . . . . . 128 D CB . 51429 1 96 . 1 . 1 24 24 ASP N N 15 117.681 . . . . . . . . 128 D N . 51429 1 97 . 1 . 1 25 25 PHE H H 1 8.197 . . . . . . . . 129 F HN . 51429 1 98 . 1 . 1 25 25 PHE C C 13 175.597 . . . . . . . . 129 F C . 51429 1 99 . 1 . 1 25 25 PHE CA C 13 60.892 . . . . . . . . 129 F CA . 51429 1 100 . 1 . 1 25 25 PHE CB C 13 38.512 . . . . . . . . 129 F CB . 51429 1 101 . 1 . 1 25 25 PHE N N 15 121.528 . . . . . . . . 129 F N . 51429 1 102 . 1 . 1 26 26 VAL H H 1 7.370 . . . . . . . . 130 V HN . 51429 1 103 . 1 . 1 26 26 VAL C C 13 177.354 . . . . . . . . 130 V C . 51429 1 104 . 1 . 1 26 26 VAL CA C 13 64.103 . . . . . . . . 130 V CA . 51429 1 105 . 1 . 1 26 26 VAL CB C 13 30.221 . . . . . . . . 130 V CB . 51429 1 106 . 1 . 1 26 26 VAL N N 15 110.514 . . . . . . . . 130 V N . 51429 1 107 . 1 . 1 27 27 GLY H H 1 7.876 . . . . . . . . 131 G HN . 51429 1 108 . 1 . 1 27 27 GLY C C 13 178.438 . . . . . . . . 131 G C . 51429 1 109 . 1 . 1 27 27 GLY CA C 13 46.041 . . . . . . . . 131 G CA . 51429 1 110 . 1 . 1 27 27 GLY N N 15 109.085 . . . . . . . . 131 G N . 51429 1 111 . 1 . 1 28 28 ILE H H 1 7.401 . . . . . . . . 132 I HN . 51429 1 112 . 1 . 1 28 28 ILE C C 13 177.861 . . . . . . . . 132 I C . 51429 1 113 . 1 . 1 28 28 ILE CA C 13 64.033 . . . . . . . . 132 I CA . 51429 1 114 . 1 . 1 28 28 ILE CB C 13 36.803 . . . . . . . . 132 I CB . 51429 1 115 . 1 . 1 28 28 ILE N N 15 114.773 . . . . . . . . 132 I N . 51429 1 116 . 1 . 1 29 29 PHE H H 1 8.537 . . . . . . . . 133 F HN . 51429 1 117 . 1 . 1 29 29 PHE C C 13 175.188 . . . . . . . . 133 F C . 51429 1 118 . 1 . 1 29 29 PHE CA C 13 56.989 . . . . . . . . 133 F CA . 51429 1 119 . 1 . 1 29 29 PHE CB C 13 36.918 . . . . . . . . 133 F CB . 51429 1 120 . 1 . 1 29 29 PHE N N 15 116.714 . . . . . . . . 133 F N . 51429 1 121 . 1 . 1 30 30 GLN H H 1 7.291 . . . . . . . . 134 Q HN . 51429 1 122 . 1 . 1 30 30 GLN CA C 13 56.111 . . . . . . . . 134 Q CA . 51429 1 123 . 1 . 1 30 30 GLN CB C 13 28.927 . . . . . . . . 134 Q CB . 51429 1 124 . 1 . 1 30 30 GLN N N 15 118.627 . . . . . . . . 134 Q N . 51429 1 125 . 1 . 1 32 32 GLU C C 13 176.255 . . . . . . . . 136 E C . 51429 1 126 . 1 . 1 32 32 GLU CA C 13 56.689 . . . . . . . . 136 E CA . 51429 1 127 . 1 . 1 33 33 LEU H H 1 7.307 . . . . . . . . 137 L HN . 51429 1 128 . 1 . 1 33 33 LEU C C 13 176.433 . . . . . . . . 137 L C . 51429 1 129 . 1 . 1 33 33 LEU CA C 13 54.633 . . . . . . . . 137 L CA . 51429 1 130 . 1 . 1 33 33 LEU CB C 13 42.785 . . . . . . . . 137 L CB . 51429 1 131 . 1 . 1 33 33 LEU N N 15 122.423 . . . . . . . . 137 L N . 51429 1 132 . 1 . 1 34 34 ASP H H 1 8.088 . . . . . . . . 138 D HN . 51429 1 133 . 1 . 1 34 34 ASP C C 13 175.791 . . . . . . . . 138 D C . 51429 1 134 . 1 . 1 34 34 ASP CA C 13 52.000 . . . . . . . . 138 D CA . 51429 1 135 . 1 . 1 34 34 ASP CB C 13 40.983 . . . . . . . . 138 D CB . 51429 1 136 . 1 . 1 34 34 ASP N N 15 122.683 . . . . . . . . 138 D N . 51429 1 137 . 1 . 1 35 35 SER H H 1 8.148 . . . . . . . . 139 S HN . 51429 1 138 . 1 . 1 35 35 SER C C 13 177.247 . . . . . . . . 139 S C . 51429 1 139 . 1 . 1 35 35 SER CA C 13 57.566 . . . . . . . . 139 S CA . 51429 1 140 . 1 . 1 35 35 SER CB C 13 63.525 . . . . . . . . 139 S CB . 51429 1 141 . 1 . 1 35 35 SER N N 15 116.173 . . . . . . . . 139 S N . 51429 1 142 . 1 . 1 36 36 LYS H H 1 7.040 . . . . . . . . 140 K HN . 51429 1 143 . 1 . 1 36 36 LYS CA C 13 53.663 . . . . . . . . 140 K CA . 51429 1 144 . 1 . 1 36 36 LYS CB C 13 30.937 . . . . . . . . 140 K CB . 51429 1 145 . 1 . 1 36 36 LYS N N 15 115.422 . . . . . . . . 140 K N . 51429 1 146 . 1 . 1 37 37 GLY C C 13 176.686 . . . . . . . . 141 G C . 51429 1 147 . 1 . 1 37 37 GLY CA C 13 46.457 . . . . . . . . 141 G CA . 51429 1 148 . 1 . 1 38 38 ARG H H 1 8.350 . . . . . . . . 142 R HN . 51429 1 149 . 1 . 1 38 38 ARG C C 13 178.680 . . . . . . . . 142 R C . 51429 1 150 . 1 . 1 38 38 ARG CB C 13 29.64 . . . . . . . . 142 R CB . 51429 1 151 . 1 . 1 38 38 ARG N N 15 121.160 . . . . . . . . 142 R N . 51429 1 152 . 1 . 1 39 39 VAL H H 1 8.389 . . . . . . . . 143 V HN . 51429 1 153 . 1 . 1 39 39 VAL C C 13 177.344 . . . . . . . . 143 V C . 51429 1 154 . 1 . 1 39 39 VAL CA C 13 66.828 . . . . . . . . 143 V CA . 51429 1 155 . 1 . 1 39 39 VAL CB C 13 30.844 . . . . . . . . 143 V CB . 51429 1 156 . 1 . 1 39 39 VAL N N 15 118.482 . . . . . . . . 143 V N . 51429 1 157 . 1 . 1 40 40 SER H H 1 8.167 . . . . . . . . 144 S HN . 51429 1 158 . 1 . 1 40 40 SER CA C 13 62.301 . . . . . . . . 144 S CA . 51429 1 159 . 1 . 1 40 40 SER N N 15 113.481 . . . . . . . . 144 S N . 51429 1 160 . 1 . 1 41 41 ILE H H 1 7.577 . . . . . . . . 145 I HN . 51429 1 161 . 1 . 1 41 41 ILE N N 15 109.489 . . . . . . . . 145 I N . 51429 1 162 . 1 . 1 44 44 LYS H H 1 7.923 . . . . . . . . 148 K HN . 51429 1 163 . 1 . 1 44 44 LYS CA C 13 59.068 . . . . . . . . 148 K CA . 51429 1 164 . 1 . 1 44 44 LYS CB C 13 31.375 . . . . . . . . 148 K CB . 51429 1 165 . 1 . 1 44 44 LYS N N 15 124.574 . . . . . . . . 148 K N . 51429 1 166 . 1 . 1 45 45 THR H H 1 8.124 . . . . . . . . 149 T HN . 51429 1 167 . 1 . 1 45 45 THR C C 13 176.142 . . . . . . . . 149 T C . 51429 1 168 . 1 . 1 45 45 THR CA C 13 66.412 . . . . . . . . 149 T CA . 51429 1 169 . 1 . 1 45 45 THR CB C 13 68.191 . . . . . . . . 149 T CB . 51429 1 170 . 1 . 1 45 45 THR N N 15 115.978 . . . . . . . . 149 T N . 51429 1 171 . 1 . 1 46 46 LEU H H 1 7.635 . . . . . . . . 150 L HN . 51429 1 172 . 1 . 1 46 46 LEU CA C 13 56.019 . . . . . . . . 150 L CA . 51429 1 173 . 1 . 1 46 46 LEU CB C 13 40.244 . . . . . . . . 150 L CB . 51429 1 174 . 1 . 1 46 46 LEU N N 15 118.713 . . . . . . . . 150 L N . 51429 1 175 . 1 . 1 49 49 GLN H H 1 8.532 . . . . . . . . 153 Q HN . 51429 1 176 . 1 . 1 49 49 GLN N N 15 117.465 . . . . . . . . 153 Q N . 51429 1 177 . 1 . 1 50 50 PRO C C 13 176.541 . . . . . . . . 154 P C . 51429 1 178 . 1 . 1 50 50 PRO CA C 13 63.017 . . . . . . . . 154 P CA . 51429 1 179 . 1 . 1 51 51 ARG H H 1 8.292 . . . . . . . . 155 R HN . 51429 1 180 . 1 . 1 51 51 ARG C C 13 175.851 . . . . . . . . 155 R C . 51429 1 181 . 1 . 1 51 51 ARG CA C 13 55.372 . . . . . . . . 155 R CA . 51429 1 182 . 1 . 1 51 51 ARG CB C 13 30.082 . . . . . . . . 155 R CB . 51429 1 183 . 1 . 1 51 51 ARG N N 15 120.128 . . . . . . . . 155 R N . 51429 1 184 . 1 . 1 52 52 ILE H H 1 8.949 . . . . . . . . 156 I HN . 51429 1 185 . 1 . 1 52 52 ILE C C 13 180.120 . . . . . . . . 156 I C . 51429 1 186 . 1 . 1 52 52 ILE CA C 13 60.731 . . . . . . . . 156 I CA . 51429 1 187 . 1 . 1 52 52 ILE CB C 13 33.454 . . . . . . . . 156 I CB . 51429 1 188 . 1 . 1 52 52 ILE N N 15 124.415 . . . . . . . . 156 I N . 51429 1 189 . 1 . 1 53 53 THR H H 1 7.931 . . . . . . . . 157 T HN . 51429 1 190 . 1 . 1 53 53 THR CA C 13 60.615 . . . . . . . . 157 T CA . 51429 1 191 . 1 . 1 53 53 THR CB C 13 62.717 . . . . . . . . 157 T CB . 51429 1 192 . 1 . 1 53 53 THR N N 15 112.160 . . . . . . . . 157 T N . 51429 1 193 . 1 . 1 54 54 VAL C C 13 176.287 . . . . . . . . 158 V C . 51429 1 194 . 1 . 1 54 54 VAL CA C 13 61.862 . . . . . . . . 158 V CA . 51429 1 195 . 1 . 1 55 55 ASP H H 1 8.245 . . . . . . . . 159 D HN . 51429 1 196 . 1 . 1 55 55 ASP C C 13 176.460 . . . . . . . . 159 D C . 51429 1 197 . 1 . 1 55 55 ASP CA C 13 54.194 . . . . . . . . 159 D CA . 51429 1 198 . 1 . 1 55 55 ASP CB C 13 40.706 . . . . . . . . 159 D CB . 51429 1 199 . 1 . 1 55 55 ASP N N 15 123.838 . . . . . . . . 159 D N . 51429 1 200 . 1 . 1 56 56 LYS H H 1 8.231 . . . . . . . . 160 K HN . 51429 1 201 . 1 . 1 56 56 LYS C C 13 176.524 . . . . . . . . 160 K C . 51429 1 202 . 1 . 1 56 56 LYS CA C 13 56.804 . . . . . . . . 160 K CA . 51429 1 203 . 1 . 1 56 56 LYS CB C 13 31.653 . . . . . . . . 160 K CB . 51429 1 204 . 1 . 1 56 56 LYS N N 15 121.608 . . . . . . . . 160 K N . 51429 1 205 . 1 . 1 57 57 ASP H H 1 8.285 . . . . . . . . 161 D HN . 51429 1 206 . 1 . 1 57 57 ASP C C 13 176.411 . . . . . . . . 161 D C . 51429 1 207 . 1 . 1 57 57 ASP CA C 13 54.726 . . . . . . . . 161 D CA . 51429 1 208 . 1 . 1 57 57 ASP CB C 13 40.290 . . . . . . . . 161 D CB . 51429 1 209 . 1 . 1 57 57 ASP N N 15 119.630 . . . . . . . . 161 D N . 51429 1 210 . 1 . 1 58 58 MET H H 1 7.992 . . . . . . . . 162 M HN . 51429 1 211 . 1 . 1 58 58 MET C C 13 176.228 . . . . . . . . 162 M C . 51429 1 212 . 1 . 1 58 58 MET CA C 13 55.442 . . . . . . . . 162 M CA . 51429 1 213 . 1 . 1 58 58 MET CB C 13 31.745 . . . . . . . . 162 M CB . 51429 1 214 . 1 . 1 58 58 MET N N 15 119.247 . . . . . . . . 162 M N . 51429 1 215 . 1 . 1 59 59 ILE H H 1 7.871 . . . . . . . . 163 I HN . 51429 1 216 . 1 . 1 59 59 ILE CA C 13 61.193 . . . . . . . . 163 I CA . 51429 1 217 . 1 . 1 59 59 ILE CB C 13 37.727 . . . . . . . . 163 I CB . 51429 1 218 . 1 . 1 59 59 ILE N N 15 120.713 . . . . . . . . 163 I N . 51429 1 stop_ save_