data_26594 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26594 _Entry.Title ; Backbone 15N, 1HN, 13CA, 13CB and 13C' Chemical shift Assignments for the DNA-binding domain of Human Telomeric Repeat Binding Factor Protein (hTRF1) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-06-26 _Entry.Accession_date 2015-06-26 _Entry.Last_release_date 2015-07-29 _Entry.Original_release_date 2015-07-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Ashok Sekhar . . . . 26594 2 Rina Rosenzweig . . . . 26594 3 Guillaume Bouvignies . . . . 26594 4 Lewis Kay . E. . . 26594 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Kay lab, University of Toronto' . 26594 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26594 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 141 26594 '15N chemical shifts' 48 26594 '1H chemical shifts' 48 26594 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 . . 2017-01-13 2015-06-26 update BMRB 'update entry citation' 26594 1 . . 2015-07-29 2015-06-26 original author 'original release' 26594 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26595 'hTRF1 bound to ADP-DnaK' 26594 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26594 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26240333 _Citation.Full_citation . _Citation.Title ; Mapping the conformation of a client protein through the Hsp70 functional cycle ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 112 _Citation.Journal_issue 33 _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 10395 _Citation.Page_last 10400 _Citation.Year 2015 _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 Ashok Sekhar . . . . 26594 1 2 Rina Rosenzweig . . . . 26594 1 3 Guillaume Bouvignies . . . . 26594 1 4 Lewis Kay . E. . . 26594 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CEST 26594 1 Hsp70 26594 1 NMR 26594 1 'molecular chaperones' 26594 1 'protein folding' 26594 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26594 _Assembly.ID 1 _Assembly.Name 'hTRF1 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 hTRF1 1 $hTRF1 A . yes native no no . . . 26594 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hTRF1 _Entity.Sf_category entity _Entity.Sf_framecode hTRF1 _Entity.Entry_ID 26594 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hTRF1 _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 ; RKRQAWLWEEDKNLRSGVRK YGEGNWSKILLHYKFNNRTS VMLKDRWRTMKKL ; _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 53 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 1 ARG . 26594 1 2 2 LYS . 26594 1 3 3 ARG . 26594 1 4 4 GLN . 26594 1 5 5 ALA . 26594 1 6 6 TRP . 26594 1 7 7 LEU . 26594 1 8 8 TRP . 26594 1 9 9 GLU . 26594 1 10 10 GLU . 26594 1 11 11 ASP . 26594 1 12 12 LYS . 26594 1 13 13 ASN . 26594 1 14 14 LEU . 26594 1 15 15 ARG . 26594 1 16 16 SER . 26594 1 17 17 GLY . 26594 1 18 18 VAL . 26594 1 19 19 ARG . 26594 1 20 20 LYS . 26594 1 21 21 TYR . 26594 1 22 22 GLY . 26594 1 23 23 GLU . 26594 1 24 24 GLY . 26594 1 25 25 ASN . 26594 1 26 26 TRP . 26594 1 27 27 SER . 26594 1 28 28 LYS . 26594 1 29 29 ILE . 26594 1 30 30 LEU . 26594 1 31 31 LEU . 26594 1 32 32 HIS . 26594 1 33 33 TYR . 26594 1 34 34 LYS . 26594 1 35 35 PHE . 26594 1 36 36 ASN . 26594 1 37 37 ASN . 26594 1 38 38 ARG . 26594 1 39 39 THR . 26594 1 40 40 SER . 26594 1 41 41 VAL . 26594 1 42 42 MET . 26594 1 43 43 LEU . 26594 1 44 44 LYS . 26594 1 45 45 ASP . 26594 1 46 46 ARG . 26594 1 47 47 TRP . 26594 1 48 48 ARG . 26594 1 49 49 THR . 26594 1 50 50 MET . 26594 1 51 51 LYS . 26594 1 52 52 LYS . 26594 1 53 53 LEU . 26594 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 . ARG 1 1 26594 1 . LYS 2 2 26594 1 . ARG 3 3 26594 1 . GLN 4 4 26594 1 . ALA 5 5 26594 1 . TRP 6 6 26594 1 . LEU 7 7 26594 1 . TRP 8 8 26594 1 . GLU 9 9 26594 1 . GLU 10 10 26594 1 . ASP 11 11 26594 1 . LYS 12 12 26594 1 . ASN 13 13 26594 1 . LEU 14 14 26594 1 . ARG 15 15 26594 1 . SER 16 16 26594 1 . GLY 17 17 26594 1 . VAL 18 18 26594 1 . ARG 19 19 26594 1 . LYS 20 20 26594 1 . TYR 21 21 26594 1 . GLY 22 22 26594 1 . GLU 23 23 26594 1 . GLY 24 24 26594 1 . ASN 25 25 26594 1 . TRP 26 26 26594 1 . SER 27 27 26594 1 . LYS 28 28 26594 1 . ILE 29 29 26594 1 . LEU 30 30 26594 1 . LEU 31 31 26594 1 . HIS 32 32 26594 1 . TYR 33 33 26594 1 . LYS 34 34 26594 1 . PHE 35 35 26594 1 . ASN 36 36 26594 1 . ASN 37 37 26594 1 . ARG 38 38 26594 1 . THR 39 39 26594 1 . SER 40 40 26594 1 . VAL 41 41 26594 1 . MET 42 42 26594 1 . LEU 43 43 26594 1 . LYS 44 44 26594 1 . ASP 45 45 26594 1 . ARG 46 46 26594 1 . TRP 47 47 26594 1 . ARG 48 48 26594 1 . THR 49 49 26594 1 . MET 50 50 26594 1 . LYS 51 51 26594 1 . LYS 52 52 26594 1 . LEU 53 53 26594 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26594 _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 $hTRF1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26594 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 26594 _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 $hTRF1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET29b . . . 26594 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26594 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 hTRF1 '[U-99% 13C; U-99% 15N]' . . 1 $hTRF1 . . 0.8 . . mM . . . . 26594 1 2 'sodium acetate' 'natural abundance' . . . . . . 50 . . mM . . . . 26594 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 26594 1 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 26594 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 26594 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26594 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26594 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 26594 _Sample_condition_list.ID 1 _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' 0.1 . M 26594 1 pH 5.7 . pH 26594 1 pressure 1 . atm 26594 1 temperature 308 . K 26594 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26594 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26594 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26594 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26594 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26594 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 500 . . . 26594 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 26594 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26594 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26594 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26594 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26594 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26594 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details '1H chemical shifts were referenced to water at the relevant temperature 273 ? K or 15N referencing' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.677 internal indirect 0.2514953 . . . . . 26594 1 H 1 water protons . . . . ppm 4.677 internal direct 1.0 . . . . . 26594 1 N 15 water protons . . . . ppm 4.677 internal indirect 0.101329118 . . . . . 26594 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26594 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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' . . . 26594 1 2 '3D CBCA(CO)NH' . . . 26594 1 3 '3D HNCACB' . . . 26594 1 4 '3D HNCO' . . . 26594 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 3 3 ARG C C 13 176.021 . . 1 . . . . 3 ARG C . 26594 1 2 . 1 1 4 4 GLN H H 1 8.561 . . 1 . . . . 4 GLN H . 26594 1 3 . 1 1 4 4 GLN C C 13 176.085 . . 1 . . . . 4 GLN C . 26594 1 4 . 1 1 4 4 GLN CA C 13 55.820 . . 1 . . . . 4 GLN CA . 26594 1 5 . 1 1 4 4 GLN CB C 13 29.550 . . 1 . . . . 4 GLN CB . 26594 1 6 . 1 1 4 4 GLN N N 15 122.885 . . 1 . . . . 4 GLN N . 26594 1 7 . 1 1 5 5 ALA H H 1 8.427 . . 1 . . . . 5 ALA H . 26594 1 8 . 1 1 5 5 ALA C C 13 177.542 . . 1 . . . . 5 ALA C . 26594 1 9 . 1 1 5 5 ALA CA C 13 52.770 . . 1 . . . . 5 ALA CA . 26594 1 10 . 1 1 5 5 ALA CB C 13 19.440 . . 1 . . . . 5 ALA CB . 26594 1 11 . 1 1 5 5 ALA N N 15 127.912 . . 1 . . . . 5 ALA N . 26594 1 12 . 1 1 6 6 TRP H H 1 8.611 . . 1 . . . . 6 TRP H . 26594 1 13 . 1 1 6 6 TRP C C 13 177.446 . . 1 . . . . 6 TRP C . 26594 1 14 . 1 1 6 6 TRP CA C 13 58.060 . . 1 . . . . 6 TRP CA . 26594 1 15 . 1 1 6 6 TRP CB C 13 28.850 . . 1 . . . . 6 TRP CB . 26594 1 16 . 1 1 6 6 TRP N N 15 122.899 . . 1 . . . . 6 TRP N . 26594 1 17 . 1 1 7 7 LEU H H 1 9.140 . . 1 . . . . 7 LEU H . 26594 1 18 . 1 1 7 7 LEU C C 13 178.881 . . 1 . . . . 7 LEU C . 26594 1 19 . 1 1 7 7 LEU CA C 13 54.050 . . 1 . . . . 7 LEU CA . 26594 1 20 . 1 1 7 7 LEU CB C 13 43.150 . . 1 . . . . 7 LEU CB . 26594 1 21 . 1 1 7 7 LEU N N 15 126.964 . . 1 . . . . 7 LEU N . 26594 1 22 . 1 1 8 8 TRP H H 1 9.039 . . 1 . . . . 8 TRP H . 26594 1 23 . 1 1 8 8 TRP C C 13 178.810 . . 1 . . . . 8 TRP C . 26594 1 24 . 1 1 8 8 TRP CA C 13 61.200 . . 1 . . . . 8 TRP CA . 26594 1 25 . 1 1 8 8 TRP CB C 13 28.850 . . 1 . . . . 8 TRP CB . 26594 1 26 . 1 1 8 8 TRP N N 15 124.562 . . 1 . . . . 8 TRP N . 26594 1 27 . 1 1 9 9 GLU H H 1 8.875 . . 1 . . . . 9 GLU H . 26594 1 28 . 1 1 9 9 GLU C C 13 178.529 . . 1 . . . . 9 GLU C . 26594 1 29 . 1 1 9 9 GLU CA C 13 59.910 . . 1 . . . . 9 GLU CA . 26594 1 30 . 1 1 9 9 GLU CB C 13 29.830 . . 1 . . . . 9 GLU CB . 26594 1 31 . 1 1 9 9 GLU N N 15 117.376 . . 1 . . . . 9 GLU N . 26594 1 32 . 1 1 10 10 GLU H H 1 7.164 . . 1 . . . . 10 GLU H . 26594 1 33 . 1 1 10 10 GLU C C 13 178.566 . . 1 . . . . 10 GLU C . 26594 1 34 . 1 1 10 10 GLU CA C 13 60.070 . . 1 . . . . 10 GLU CA . 26594 1 35 . 1 1 10 10 GLU CB C 13 32.400 . . 1 . . . . 10 GLU CB . 26594 1 36 . 1 1 10 10 GLU N N 15 116.878 . . 1 . . . . 10 GLU N . 26594 1 37 . 1 1 11 11 ASP H H 1 7.950 . . 1 . . . . 11 ASP H . 26594 1 38 . 1 1 11 11 ASP C C 13 179.095 . . 1 . . . . 11 ASP C . 26594 1 39 . 1 1 11 11 ASP CA C 13 57.800 . . 1 . . . . 11 ASP CA . 26594 1 40 . 1 1 11 11 ASP CB C 13 40.370 . . 1 . . . . 11 ASP CB . 26594 1 41 . 1 1 11 11 ASP N N 15 121.564 . . 1 . . . . 11 ASP N . 26594 1 42 . 1 1 12 12 LYS H H 1 8.155 . . 1 . . . . 12 LYS H . 26594 1 43 . 1 1 12 12 LYS C C 13 179.226 . . 1 . . . . 12 LYS C . 26594 1 44 . 1 1 12 12 LYS CA C 13 59.620 . . 1 . . . . 12 LYS CA . 26594 1 45 . 1 1 12 12 LYS CB C 13 31.990 . . 1 . . . . 12 LYS CB . 26594 1 46 . 1 1 12 12 LYS N N 15 120.344 . . 1 . . . . 12 LYS N . 26594 1 47 . 1 1 13 13 ASN H H 1 8.036 . . 1 . . . . 13 ASN H . 26594 1 48 . 1 1 13 13 ASN C C 13 176.752 . . 1 . . . . 13 ASN C . 26594 1 49 . 1 1 13 13 ASN CA C 13 55.240 . . 1 . . . . 13 ASN CA . 26594 1 50 . 1 1 13 13 ASN CB C 13 37.920 . . 1 . . . . 13 ASN CB . 26594 1 51 . 1 1 13 13 ASN N N 15 120.350 . . 1 . . . . 13 ASN N . 26594 1 52 . 1 1 14 14 LEU H H 1 8.781 . . 1 . . . . 14 LEU H . 26594 1 53 . 1 1 14 14 LEU C C 13 177.567 . . 1 . . . . 14 LEU C . 26594 1 54 . 1 1 14 14 LEU CA C 13 58.830 . . 1 . . . . 14 LEU CA . 26594 1 55 . 1 1 14 14 LEU CB C 13 42.790 . . 1 . . . . 14 LEU CB . 26594 1 56 . 1 1 14 14 LEU N N 15 122.791 . . 1 . . . . 14 LEU N . 26594 1 57 . 1 1 15 15 ARG H H 1 8.195 . . 1 . . . . 15 ARG H . 26594 1 58 . 1 1 15 15 ARG C C 13 179.762 . . 1 . . . . 15 ARG C . 26594 1 59 . 1 1 15 15 ARG CA C 13 60.600 . . 1 . . . . 15 ARG CA . 26594 1 60 . 1 1 15 15 ARG CB C 13 30.500 . . 1 . . . . 15 ARG CB . 26594 1 61 . 1 1 15 15 ARG N N 15 117.536 . . 1 . . . . 15 ARG N . 26594 1 62 . 1 1 16 16 SER H H 1 8.500 . . 1 . . . . 16 SER H . 26594 1 63 . 1 1 16 16 SER C C 13 176.637 . . 1 . . . . 16 SER C . 26594 1 64 . 1 1 16 16 SER CA C 13 61.600 . . 1 . . . . 16 SER CA . 26594 1 65 . 1 1 16 16 SER CB C 13 62.600 . . 1 . . . . 16 SER CB . 26594 1 66 . 1 1 16 16 SER N N 15 116.056 . . 1 . . . . 16 SER N . 26594 1 67 . 1 1 17 17 GLY H H 1 8.648 . . 1 . . . . 17 GLY H . 26594 1 68 . 1 1 17 17 GLY C C 13 175.311 . . 1 . . . . 17 GLY C . 26594 1 69 . 1 1 17 17 GLY CA C 13 48.020 . . 1 . . . . 17 GLY CA . 26594 1 70 . 1 1 17 17 GLY N N 15 111.136 . . 1 . . . . 17 GLY N . 26594 1 71 . 1 1 18 18 VAL H H 1 8.517 . . 1 . . . . 18 VAL H . 26594 1 72 . 1 1 18 18 VAL C C 13 179.116 . . 1 . . . . 18 VAL C . 26594 1 73 . 1 1 18 18 VAL CA C 13 66.600 . . 1 . . . . 18 VAL CA . 26594 1 74 . 1 1 18 18 VAL CB C 13 31.200 . . 1 . . . . 18 VAL CB . 26594 1 75 . 1 1 18 18 VAL N N 15 123.961 . . 1 . . . . 18 VAL N . 26594 1 76 . 1 1 19 19 ARG H H 1 7.546 . . 1 . . . . 19 ARG H . 26594 1 77 . 1 1 19 19 ARG C C 13 177.389 . . 1 . . . . 19 ARG C . 26594 1 78 . 1 1 19 19 ARG CA C 13 59.210 . . 1 . . . . 19 ARG CA . 26594 1 79 . 1 1 19 19 ARG CB C 13 29.790 . . 1 . . . . 19 ARG CB . 26594 1 80 . 1 1 19 19 ARG N N 15 120.070 . . 1 . . . . 19 ARG N . 26594 1 81 . 1 1 20 20 LYS H H 1 7.739 . . 1 . . . . 20 LYS H . 26594 1 82 . 1 1 20 20 LYS C C 13 177.660 . . 1 . . . . 20 LYS C . 26594 1 83 . 1 1 20 20 LYS CA C 13 58.980 . . 1 . . . . 20 LYS CA . 26594 1 84 . 1 1 20 20 LYS CB C 13 33.850 . . 1 . . . . 20 LYS CB . 26594 1 85 . 1 1 20 20 LYS N N 15 117.345 . . 1 . . . . 20 LYS N . 26594 1 86 . 1 1 21 21 TYR H H 1 8.761 . . 1 . . . . 21 TYR H . 26594 1 87 . 1 1 21 21 TYR C C 13 176.588 . . 1 . . . . 21 TYR C . 26594 1 88 . 1 1 21 21 TYR CA C 13 58.830 . . 1 . . . . 21 TYR CA . 26594 1 89 . 1 1 21 21 TYR CB C 13 39.410 . . 1 . . . . 21 TYR CB . 26594 1 90 . 1 1 21 21 TYR N N 15 114.146 . . 1 . . . . 21 TYR N . 26594 1 91 . 1 1 22 22 GLY H H 1 7.863 . . 1 . . . . 22 GLY H . 26594 1 92 . 1 1 22 22 GLY C C 13 173.076 . . 1 . . . . 22 GLY C . 26594 1 93 . 1 1 22 22 GLY CA C 13 44.440 . . 1 . . . . 22 GLY CA . 26594 1 94 . 1 1 22 22 GLY N N 15 110.723 . . 1 . . . . 22 GLY N . 26594 1 95 . 1 1 23 23 GLU H H 1 8.353 . . 1 . . . . 23 GLU H . 26594 1 96 . 1 1 23 23 GLU CA C 13 57.670 . . 1 . . . . 23 GLU CA . 26594 1 97 . 1 1 23 23 GLU CB C 13 29.910 . . 1 . . . . 23 GLU CB . 26594 1 98 . 1 1 23 23 GLU N N 15 120.586 . . 1 . . . . 23 GLU N . 26594 1 99 . 1 1 24 24 GLY C C 13 173.765 . . 1 . . . . 24 GLY C . 26594 1 100 . 1 1 24 24 GLY CA C 13 45.160 . . 1 . . . . 24 GLY CA . 26594 1 101 . 1 1 25 25 ASN H H 1 7.050 . . 1 . . . . 25 ASN H . 26594 1 102 . 1 1 25 25 ASN C C 13 175.727 . . 1 . . . . 25 ASN C . 26594 1 103 . 1 1 25 25 ASN CA C 13 51.690 . . 1 . . . . 25 ASN CA . 26594 1 104 . 1 1 25 25 ASN CB C 13 37.180 . . 1 . . . . 25 ASN CB . 26594 1 105 . 1 1 25 25 ASN N N 15 121.441 . . 1 . . . . 25 ASN N . 26594 1 106 . 1 1 26 26 TRP H H 1 6.629 . . 1 . . . . 26 TRP H . 26594 1 107 . 1 1 26 26 TRP C C 13 177.956 . . 1 . . . . 26 TRP C . 26594 1 108 . 1 1 26 26 TRP CA C 13 58.590 . . 1 . . . . 26 TRP CA . 26594 1 109 . 1 1 26 26 TRP CB C 13 30.450 . . 1 . . . . 26 TRP CB . 26594 1 110 . 1 1 26 26 TRP N N 15 118.150 . . 1 . . . . 26 TRP N . 26594 1 111 . 1 1 27 27 SER H H 1 8.737 . . 1 . . . . 27 SER H . 26594 1 112 . 1 1 27 27 SER C C 13 176.309 . . 1 . . . . 27 SER C . 26594 1 113 . 1 1 27 27 SER CA C 13 61.990 . . 1 . . . . 27 SER CA . 26594 1 114 . 1 1 27 27 SER N N 15 113.050 . . 1 . . . . 27 SER N . 26594 1 115 . 1 1 28 28 LYS H H 1 7.269 . . 1 . . . . 28 LYS H . 26594 1 116 . 1 1 28 28 LYS C C 13 178.755 . . 1 . . . . 28 LYS C . 26594 1 117 . 1 1 28 28 LYS CA C 13 59.180 . . 1 . . . . 28 LYS CA . 26594 1 118 . 1 1 28 28 LYS CB C 13 32.460 . . 1 . . . . 28 LYS CB . 26594 1 119 . 1 1 28 28 LYS N N 15 121.358 . . 1 . . . . 28 LYS N . 26594 1 120 . 1 1 29 29 ILE H H 1 7.477 . . 1 . . . . 29 ILE H . 26594 1 121 . 1 1 29 29 ILE C C 13 177.521 . . 1 . . . . 29 ILE C . 26594 1 122 . 1 1 29 29 ILE CA C 13 66.860 . . 1 . . . . 29 ILE CA . 26594 1 123 . 1 1 29 29 ILE CB C 13 38.650 . . 1 . . . . 29 ILE CB . 26594 1 124 . 1 1 29 29 ILE N N 15 119.844 . . 1 . . . . 29 ILE N . 26594 1 125 . 1 1 30 30 LEU H H 1 7.993 . . 1 . . . . 30 LEU H . 26594 1 126 . 1 1 30 30 LEU C C 13 177.393 . . 1 . . . . 30 LEU C . 26594 1 127 . 1 1 30 30 LEU CA C 13 57.730 . . 1 . . . . 30 LEU CA . 26594 1 128 . 1 1 30 30 LEU CB C 13 43.070 . . 1 . . . . 30 LEU CB . 26594 1 129 . 1 1 30 30 LEU N N 15 118.620 . . 1 . . . . 30 LEU N . 26594 1 130 . 1 1 31 31 LEU H H 1 7.227 . . 1 . . . . 31 LEU H . 26594 1 131 . 1 1 31 31 LEU C C 13 178.718 . . 1 . . . . 31 LEU C . 26594 1 132 . 1 1 31 31 LEU CA C 13 56.080 . . 1 . . . . 31 LEU CA . 26594 1 133 . 1 1 31 31 LEU CB C 13 43.040 . . 1 . . . . 31 LEU CB . 26594 1 134 . 1 1 31 31 LEU N N 15 113.516 . . 1 . . . . 31 LEU N . 26594 1 135 . 1 1 32 32 HIS H H 1 7.652 . . 1 . . . . 32 HIS H . 26594 1 136 . 1 1 32 32 HIS C C 13 173.256 . . 1 . . . . 32 HIS C . 26594 1 137 . 1 1 32 32 HIS CA C 13 57.500 . . 1 . . . . 32 HIS CA . 26594 1 138 . 1 1 32 32 HIS CB C 13 31.390 . . 1 . . . . 32 HIS CB . 26594 1 139 . 1 1 32 32 HIS N N 15 114.730 . . 1 . . . . 32 HIS N . 26594 1 140 . 1 1 33 33 TYR H H 1 7.855 . . 1 . . . . 33 TYR H . 26594 1 141 . 1 1 33 33 TYR C C 13 173.394 . . 1 . . . . 33 TYR C . 26594 1 142 . 1 1 33 33 TYR CA C 13 56.550 . . 1 . . . . 33 TYR CA . 26594 1 143 . 1 1 33 33 TYR CB C 13 41.780 . . 1 . . . . 33 TYR CB . 26594 1 144 . 1 1 33 33 TYR N N 15 117.198 . . 1 . . . . 33 TYR N . 26594 1 145 . 1 1 34 34 LYS H H 1 7.884 . . 1 . . . . 34 LYS H . 26594 1 146 . 1 1 34 34 LYS C C 13 175.606 . . 1 . . . . 34 LYS C . 26594 1 147 . 1 1 34 34 LYS CA C 13 56.520 . . 1 . . . . 34 LYS CA . 26594 1 148 . 1 1 34 34 LYS CB C 13 32.770 . . 1 . . . . 34 LYS CB . 26594 1 149 . 1 1 34 34 LYS N N 15 119.614 . . 1 . . . . 34 LYS N . 26594 1 150 . 1 1 35 35 PHE H H 1 8.450 . . 1 . . . . 35 PHE H . 26594 1 151 . 1 1 35 35 PHE C C 13 174.837 . . 1 . . . . 35 PHE C . 26594 1 152 . 1 1 35 35 PHE CA C 13 57.220 . . 1 . . . . 35 PHE CA . 26594 1 153 . 1 1 35 35 PHE CB C 13 42.100 . . 1 . . . . 35 PHE CB . 26594 1 154 . 1 1 35 35 PHE N N 15 123.369 . . 1 . . . . 35 PHE N . 26594 1 155 . 1 1 36 36 ASN H H 1 9.436 . . 1 . . . . 36 ASN H . 26594 1 156 . 1 1 36 36 ASN C C 13 173.516 . . 1 . . . . 36 ASN C . 26594 1 157 . 1 1 36 36 ASN CA C 13 51.950 . . 1 . . . . 36 ASN CA . 26594 1 158 . 1 1 36 36 ASN CB C 13 37.410 . . 1 . . . . 36 ASN CB . 26594 1 159 . 1 1 36 36 ASN N N 15 122.067 . . 1 . . . . 36 ASN N . 26594 1 160 . 1 1 37 37 ASN H H 1 8.401 . . 1 . . . . 37 ASN H . 26594 1 161 . 1 1 37 37 ASN C C 13 174.522 . . 1 . . . . 37 ASN C . 26594 1 162 . 1 1 37 37 ASN CA C 13 54.130 . . 1 . . . . 37 ASN CA . 26594 1 163 . 1 1 37 37 ASN CB C 13 37.410 . . 1 . . . . 37 ASN CB . 26594 1 164 . 1 1 37 37 ASN N N 15 120.696 . . 1 . . . . 37 ASN N . 26594 1 165 . 1 1 38 38 ARG H H 1 7.991 . . 1 . . . . 38 ARG H . 26594 1 166 . 1 1 38 38 ARG C C 13 175.705 . . 1 . . . . 38 ARG C . 26594 1 167 . 1 1 38 38 ARG CA C 13 52.250 . . 1 . . . . 38 ARG CA . 26594 1 168 . 1 1 38 38 ARG CB C 13 31.540 . . 1 . . . . 38 ARG CB . 26594 1 169 . 1 1 38 38 ARG N N 15 114.135 . . 1 . . . . 38 ARG N . 26594 1 170 . 1 1 39 39 THR H H 1 7.099 . . 1 . . . . 39 THR H . 26594 1 171 . 1 1 39 39 THR C C 13 176.048 . . 1 . . . . 39 THR C . 26594 1 172 . 1 1 39 39 THR CA C 13 59.160 . . 1 . . . . 39 THR CA . 26594 1 173 . 1 1 39 39 THR CB C 13 71.760 . . 1 . . . . 39 THR CB . 26594 1 174 . 1 1 39 39 THR N N 15 108.622 . . 1 . . . . 39 THR N . 26594 1 175 . 1 1 40 40 SER H H 1 9.245 . . 1 . . . . 40 SER H . 26594 1 176 . 1 1 40 40 SER C C 13 175.971 . . 1 . . . . 40 SER C . 26594 1 177 . 1 1 40 40 SER CA C 13 63.030 . . 1 . . . . 40 SER CA . 26594 1 178 . 1 1 40 40 SER N N 15 117.466 . . 1 . . . . 40 SER N . 26594 1 179 . 1 1 41 41 VAL H H 1 7.463 . . 1 . . . . 41 VAL H . 26594 1 180 . 1 1 41 41 VAL C C 13 176.975 . . 1 . . . . 41 VAL C . 26594 1 181 . 1 1 41 41 VAL CA C 13 65.390 . . 1 . . . . 41 VAL CA . 26594 1 182 . 1 1 41 41 VAL CB C 13 31.950 . . 1 . . . . 41 VAL CB . 26594 1 183 . 1 1 41 41 VAL N N 15 119.670 . . 1 . . . . 41 VAL N . 26594 1 184 . 1 1 42 42 MET H H 1 7.332 . . 1 . . . . 42 MET H . 26594 1 185 . 1 1 42 42 MET C C 13 179.317 . . 1 . . . . 42 MET C . 26594 1 186 . 1 1 42 42 MET CA C 13 59.130 . . 1 . . . . 42 MET CA . 26594 1 187 . 1 1 42 42 MET CB C 13 33.470 . . 1 . . . . 42 MET CB . 26594 1 188 . 1 1 42 42 MET N N 15 118.232 . . 1 . . . . 42 MET N . 26594 1 189 . 1 1 43 43 LEU H H 1 7.516 . . 1 . . . . 43 LEU H . 26594 1 190 . 1 1 43 43 LEU C C 13 176.447 . . 1 . . . . 43 LEU C . 26594 1 191 . 1 1 43 43 LEU CA C 13 58.890 . . 1 . . . . 43 LEU CA . 26594 1 192 . 1 1 43 43 LEU CB C 13 41.510 . . 1 . . . . 43 LEU CB . 26594 1 193 . 1 1 43 43 LEU N N 15 119.373 . . 1 . . . . 43 LEU N . 26594 1 194 . 1 1 44 44 LYS H H 1 6.839 . . 1 . . . . 44 LYS H . 26594 1 195 . 1 1 44 44 LYS C C 13 178.676 . . 1 . . . . 44 LYS C . 26594 1 196 . 1 1 44 44 LYS CA C 13 58.950 . . 1 . . . . 44 LYS CA . 26594 1 197 . 1 1 44 44 LYS CB C 13 31.400 . . 1 . . . . 44 LYS CB . 26594 1 198 . 1 1 44 44 LYS N N 15 119.552 . . 1 . . . . 44 LYS N . 26594 1 199 . 1 1 45 45 ASP H H 1 7.997 . . 1 . . . . 45 ASP H . 26594 1 200 . 1 1 45 45 ASP C C 13 178.680 . . 1 . . . . 45 ASP C . 26594 1 201 . 1 1 45 45 ASP CA C 13 57.050 . . 1 . . . . 45 ASP CA . 26594 1 202 . 1 1 45 45 ASP CB C 13 40.540 . . 1 . . . . 45 ASP CB . 26594 1 203 . 1 1 45 45 ASP N N 15 118.382 . . 1 . . . . 45 ASP N . 26594 1 204 . 1 1 46 46 ARG H H 1 7.916 . . 1 . . . . 46 ARG H . 26594 1 205 . 1 1 46 46 ARG CA C 13 56.970 . . 1 . . . . 46 ARG CA . 26594 1 206 . 1 1 46 46 ARG CB C 13 29.840 . . 1 . . . . 46 ARG CB . 26594 1 207 . 1 1 46 46 ARG N N 15 121.974 . . 1 . . . . 46 ARG N . 26594 1 208 . 1 1 47 47 TRP C C 13 177.142 . . 1 . . . . 47 TRP C . 26594 1 209 . 1 1 48 48 ARG H H 1 7.536 . . 1 . . . . 48 ARG H . 26594 1 210 . 1 1 48 48 ARG C C 13 178.391 . . 1 . . . . 48 ARG C . 26594 1 211 . 1 1 48 48 ARG CA C 13 59.180 . . 1 . . . . 48 ARG CA . 26594 1 212 . 1 1 48 48 ARG CB C 13 29.950 . . 1 . . . . 48 ARG CB . 26594 1 213 . 1 1 48 48 ARG N N 15 115.701 . . 1 . . . . 48 ARG N . 26594 1 214 . 1 1 49 49 THR H H 1 7.374 . . 1 . . . . 49 THR H . 26594 1 215 . 1 1 49 49 THR C C 13 175.597 . . 1 . . . . 49 THR C . 26594 1 216 . 1 1 49 49 THR CA C 13 64.090 . . 1 . . . . 49 THR CA . 26594 1 217 . 1 1 49 49 THR CB C 13 69.460 . . 1 . . . . 49 THR CB . 26594 1 218 . 1 1 49 49 THR N N 15 110.472 . . 1 . . . . 49 THR N . 26594 1 219 . 1 1 50 50 MET H H 1 7.710 . . 1 . . . . 50 MET H . 26594 1 220 . 1 1 50 50 MET C C 13 176.567 . . 1 . . . . 50 MET C . 26594 1 221 . 1 1 50 50 MET CA C 13 57.120 . . 1 . . . . 50 MET CA . 26594 1 222 . 1 1 50 50 MET CB C 13 33.430 . . 1 . . . . 50 MET CB . 26594 1 223 . 1 1 50 50 MET N N 15 121.343 . . 1 . . . . 50 MET N . 26594 1 224 . 1 1 51 51 LYS H H 1 7.651 . . 1 . . . . 51 LYS H . 26594 1 225 . 1 1 51 51 LYS C C 13 176.184 . . 1 . . . . 51 LYS C . 26594 1 226 . 1 1 51 51 LYS CA C 13 56.940 . . 1 . . . . 51 LYS CA . 26594 1 227 . 1 1 51 51 LYS CB C 13 32.180 . . 1 . . . . 51 LYS CB . 26594 1 228 . 1 1 51 51 LYS N N 15 120.098 . . 1 . . . . 51 LYS N . 26594 1 229 . 1 1 52 52 LYS H H 1 7.788 . . 1 . . . . 52 LYS H . 26594 1 230 . 1 1 52 52 LYS C C 13 175.341 . . 1 . . . . 52 LYS C . 26594 1 231 . 1 1 52 52 LYS CA C 13 57.120 . . 1 . . . . 52 LYS CA . 26594 1 232 . 1 1 52 52 LYS CB C 13 33.300 . . 1 . . . . 52 LYS CB . 26594 1 233 . 1 1 52 52 LYS N N 15 121.614 . . 1 . . . . 52 LYS N . 26594 1 234 . 1 1 53 53 LEU H H 1 7.586 . . 1 . . . . 53 LEU H . 26594 1 235 . 1 1 53 53 LEU CA C 13 56.600 . . 1 . . . . 53 LEU CA . 26594 1 236 . 1 1 53 53 LEU CB C 13 43.490 . . 1 . . . . 53 LEU CB . 26594 1 237 . 1 1 53 53 LEU N N 15 128.302 . . 1 . . . . 53 LEU N . 26594 1 stop_ save_