data_53513 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53513 _Entry.Title ; Chemical shift assignments for GB1-TACC3 545-573 fusion ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2026-01-23 _Entry.Accession_date 2026-01-23 _Entry.Last_release_date 2026-01-23 _Entry.Original_release_date 2026-01-23 _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 Matthew Batchelor . . . . 53513 2 Richard Bayliss . . . . 53513 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53513 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 267 53513 '15N chemical shifts' 95 53513 '1H chemical shifts' 360 53513 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 . . 2026-04-01 . original BMRB . 53513 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52047 'Chemical shift assignments for GB1-N-Myc 18-59 fusion' 53513 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53513 _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 ; Manuscripts that utilise GB1-TACC3 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev Structure _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 Matthew Batchelor . . . . 53513 1 2 Richard Bayliss . . . . 53513 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53513 _Assembly.ID 1 _Assembly.Name 'GB1-TACC3 545-573' _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 'GB1-TACC3 545-573' 1 $entity_1 . . yes native no no . . . 53513 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53513 _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 ; GAMAQYKLALNGKTLKGETT TEAVDAATAEKVFKQYANDN GVDGEWTYDDATKTFTVTET SDGTSSFKESALRKQSLYLK FDPLLRDSPGR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Gly63 here is Human TACC3 residue Gly545 (Uniprot Q9Y6A5)' _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 91 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 53513 1 2 . ALA . 53513 1 3 . MET . 53513 1 4 . ALA . 53513 1 5 . GLN . 53513 1 6 . TYR . 53513 1 7 . LYS . 53513 1 8 . LEU . 53513 1 9 . ALA . 53513 1 10 . LEU . 53513 1 11 . ASN . 53513 1 12 . GLY . 53513 1 13 . LYS . 53513 1 14 . THR . 53513 1 15 . LEU . 53513 1 16 . LYS . 53513 1 17 . GLY . 53513 1 18 . GLU . 53513 1 19 . THR . 53513 1 20 . THR . 53513 1 21 . THR . 53513 1 22 . GLU . 53513 1 23 . ALA . 53513 1 24 . VAL . 53513 1 25 . ASP . 53513 1 26 . ALA . 53513 1 27 . ALA . 53513 1 28 . THR . 53513 1 29 . ALA . 53513 1 30 . GLU . 53513 1 31 . LYS . 53513 1 32 . VAL . 53513 1 33 . PHE . 53513 1 34 . LYS . 53513 1 35 . GLN . 53513 1 36 . TYR . 53513 1 37 . ALA . 53513 1 38 . ASN . 53513 1 39 . ASP . 53513 1 40 . ASN . 53513 1 41 . GLY . 53513 1 42 . VAL . 53513 1 43 . ASP . 53513 1 44 . GLY . 53513 1 45 . GLU . 53513 1 46 . TRP . 53513 1 47 . THR . 53513 1 48 . TYR . 53513 1 49 . ASP . 53513 1 50 . ASP . 53513 1 51 . ALA . 53513 1 52 . THR . 53513 1 53 . LYS . 53513 1 54 . THR . 53513 1 55 . PHE . 53513 1 56 . THR . 53513 1 57 . VAL . 53513 1 58 . THR . 53513 1 59 . GLU . 53513 1 60 . THR . 53513 1 61 . SER . 53513 1 62 . ASP . 53513 1 63 . GLY . 53513 1 64 . THR . 53513 1 65 . SER . 53513 1 66 . SER . 53513 1 67 . PHE . 53513 1 68 . LYS . 53513 1 69 . GLU . 53513 1 70 . SER . 53513 1 71 . ALA . 53513 1 72 . LEU . 53513 1 73 . ARG . 53513 1 74 . LYS . 53513 1 75 . GLN . 53513 1 76 . SER . 53513 1 77 . LEU . 53513 1 78 . TYR . 53513 1 79 . LEU . 53513 1 80 . LYS . 53513 1 81 . PHE . 53513 1 82 . ASP . 53513 1 83 . PRO . 53513 1 84 . LEU . 53513 1 85 . LEU . 53513 1 86 . ARG . 53513 1 87 . ASP . 53513 1 88 . SER . 53513 1 89 . PRO . 53513 1 90 . GLY . 53513 1 91 . ARG . 53513 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 53513 1 . ALA 2 2 53513 1 . MET 3 3 53513 1 . ALA 4 4 53513 1 . GLN 5 5 53513 1 . TYR 6 6 53513 1 . LYS 7 7 53513 1 . LEU 8 8 53513 1 . ALA 9 9 53513 1 . LEU 10 10 53513 1 . ASN 11 11 53513 1 . GLY 12 12 53513 1 . LYS 13 13 53513 1 . THR 14 14 53513 1 . LEU 15 15 53513 1 . LYS 16 16 53513 1 . GLY 17 17 53513 1 . GLU 18 18 53513 1 . THR 19 19 53513 1 . THR 20 20 53513 1 . THR 21 21 53513 1 . GLU 22 22 53513 1 . ALA 23 23 53513 1 . VAL 24 24 53513 1 . ASP 25 25 53513 1 . ALA 26 26 53513 1 . ALA 27 27 53513 1 . THR 28 28 53513 1 . ALA 29 29 53513 1 . GLU 30 30 53513 1 . LYS 31 31 53513 1 . VAL 32 32 53513 1 . PHE 33 33 53513 1 . LYS 34 34 53513 1 . GLN 35 35 53513 1 . TYR 36 36 53513 1 . ALA 37 37 53513 1 . ASN 38 38 53513 1 . ASP 39 39 53513 1 . ASN 40 40 53513 1 . GLY 41 41 53513 1 . VAL 42 42 53513 1 . ASP 43 43 53513 1 . GLY 44 44 53513 1 . GLU 45 45 53513 1 . TRP 46 46 53513 1 . THR 47 47 53513 1 . TYR 48 48 53513 1 . ASP 49 49 53513 1 . ASP 50 50 53513 1 . ALA 51 51 53513 1 . THR 52 52 53513 1 . LYS 53 53 53513 1 . THR 54 54 53513 1 . PHE 55 55 53513 1 . THR 56 56 53513 1 . VAL 57 57 53513 1 . THR 58 58 53513 1 . GLU 59 59 53513 1 . THR 60 60 53513 1 . SER 61 61 53513 1 . ASP 62 62 53513 1 . GLY 63 63 53513 1 . THR 64 64 53513 1 . SER 65 65 53513 1 . SER 66 66 53513 1 . PHE 67 67 53513 1 . LYS 68 68 53513 1 . GLU 69 69 53513 1 . SER 70 70 53513 1 . ALA 71 71 53513 1 . LEU 72 72 53513 1 . ARG 73 73 53513 1 . LYS 74 74 53513 1 . GLN 75 75 53513 1 . SER 76 76 53513 1 . LEU 77 77 53513 1 . TYR 78 78 53513 1 . LEU 79 79 53513 1 . LYS 80 80 53513 1 . PHE 81 81 53513 1 . ASP 82 82 53513 1 . PRO 83 83 53513 1 . LEU 84 84 53513 1 . LEU 85 85 53513 1 . ARG 86 86 53513 1 . ASP 87 87 53513 1 . SER 88 88 53513 1 . PRO 89 89 53513 1 . GLY 90 90 53513 1 . ARG 91 91 53513 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 53513 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 53513 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 53513 _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 . . pETM6T1 . . . 53513 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53513 _Sample.ID 1 _Sample.Name GB1-TACC3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N/13C-labelled GB1-TACC3 in phosphate buffer' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 (K/H)3PO4 'natural abundance' . . . . . . 20 . . mM . . . . 53513 1 2 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 53513 1 3 'GB1-TACC3 545-573' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.8 . . mM . . . . 53513 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 53513 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Standard NMR phosphate buffer pH 6.5, 10 degrees C' _Sample_condition_list.Details '20 mM (K/H)3PO4, 150 mM NaCl, pH 6.5, 10 degrees C' 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' 0.2 . M 53513 1 pH 6.5 . pH 53513 1 pressure 1 . atm 53513 1 temperature 283 . K 53513 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53513 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53513 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53513 _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 . 53513 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53513 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version 'Analysis v 2.5' _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53513 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 53513 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '600 MHz Oxford Instruments Magnet with Bruker Avance Console' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Oxford/Bruker _NMR_spectrometer.Model Avance _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 53513 _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 no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53513 1 2 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53513 1 3 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53513 1 4 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53513 1 5 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53513 1 6 '3D HN(CO)CACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53513 1 7 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53513 1 8 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53513 1 9 '3D HBHA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53513 1 10 '3D 1H-15N NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53513 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 53513 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name GB1-TACC3 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect . . . . . . 53513 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 53513 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect . . . . . . 53513 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 53513 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name GB1-TACC3 _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' . . . 53513 1 2 '3D HNCO' . . . 53513 1 3 '3D HN(CA)CO' . . . 53513 1 4 '3D HN(CO)CA' . . . 53513 1 5 '3D HNCA' . . . 53513 1 6 '3D HN(CO)CACB' . . . 53513 1 7 '3D HNCACB' . . . 53513 1 8 '2D 1H-13C HSQC' . . . 53513 1 9 '3D HBHA(CO)NH' . . . 53513 1 10 '3D 1H-15N NOESY' . . . 53513 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 . . 53513 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 GLY HA2 H 1 3.856 . . 2 . . . . . 1 G HA2 . 53513 1 2 . 1 . 1 1 1 GLY C C 13 169.622 . . 1 . . . . . 1 G C . 53513 1 3 . 1 . 1 1 1 GLY CA C 13 43.309 . . 1 . . . . . 1 G CA . 53513 1 4 . 1 . 1 2 2 ALA H H 1 8.658 . . 1 . . . . . 2 A HN . 53513 1 5 . 1 . 1 2 2 ALA HA H 1 4.366 . . 1 . . . . . 2 A HA . 53513 1 6 . 1 . 1 2 2 ALA HB1 H 1 1.394 . . 1 . . . . . 2 A HB# . 53513 1 7 . 1 . 1 2 2 ALA HB2 H 1 1.394 . . 1 . . . . . 2 A HB# . 53513 1 8 . 1 . 1 2 2 ALA HB3 H 1 1.394 . . 1 . . . . . 2 A HB# . 53513 1 9 . 1 . 1 2 2 ALA C C 13 177.351 . . 1 . . . . . 2 A C . 53513 1 10 . 1 . 1 2 2 ALA CA C 13 52.295 . . 1 . . . . . 2 A CA . 53513 1 11 . 1 . 1 2 2 ALA CB C 13 19.648 . . 1 . . . . . 2 A CB . 53513 1 12 . 1 . 1 2 2 ALA N N 15 123.625 . . 1 . . . . . 2 A N . 53513 1 13 . 1 . 1 3 3 MET H H 1 8.412 . . 1 . . . . . 3 M HN . 53513 1 14 . 1 . 1 3 3 MET HA H 1 4.358 . . 1 . . . . . 3 M HA . 53513 1 15 . 1 . 1 3 3 MET HB2 H 1 1.979 . . 2 . . . . . 3 M HB1 . 53513 1 16 . 1 . 1 3 3 MET HB3 H 1 1.819 . . 2 . . . . . 3 M HB2 . 53513 1 17 . 1 . 1 3 3 MET HE1 H 1 2.004 . . 1 . . . . . 3 M HE# . 53513 1 18 . 1 . 1 3 3 MET HE2 H 1 2.004 . . 1 . . . . . 3 M HE# . 53513 1 19 . 1 . 1 3 3 MET HE3 H 1 2.004 . . 1 . . . . . 3 M HE# . 53513 1 20 . 1 . 1 3 3 MET C C 13 175.473 . . 1 . . . . . 3 M C . 53513 1 21 . 1 . 1 3 3 MET CA C 13 55.428 . . 1 . . . . . 3 M CA . 53513 1 22 . 1 . 1 3 3 MET CB C 13 33.792 . . 1 . . . . . 3 M CB . 53513 1 23 . 1 . 1 3 3 MET CE C 13 17.401 . . 1 . . . . . 3 M CE . 53513 1 24 . 1 . 1 3 3 MET N N 15 119.047 . . 1 . . . . . 3 M N . 53513 1 25 . 1 . 1 4 4 ALA H H 1 8.505 . . 1 . . . . . 4 A HN . 53513 1 26 . 1 . 1 4 4 ALA HA H 1 4.577 . . 1 . . . . . 4 A HA . 53513 1 27 . 1 . 1 4 4 ALA HB1 H 1 1.248 . . 1 . . . . . 4 A HB# . 53513 1 28 . 1 . 1 4 4 ALA HB2 H 1 1.248 . . 1 . . . . . 4 A HB# . 53513 1 29 . 1 . 1 4 4 ALA HB3 H 1 1.248 . . 1 . . . . . 4 A HB# . 53513 1 30 . 1 . 1 4 4 ALA C C 13 174.573 . . 1 . . . . . 4 A C . 53513 1 31 . 1 . 1 4 4 ALA CA C 13 50.815 . . 1 . . . . . 4 A CA . 53513 1 32 . 1 . 1 4 4 ALA CB C 13 21.847 . . 1 . . . . . 4 A CB . 53513 1 33 . 1 . 1 4 4 ALA N N 15 125.783 . . 1 . . . . . 4 A N . 53513 1 34 . 1 . 1 5 5 GLN H H 1 8.155 . . 1 . . . . . 5 Q HN . 53513 1 35 . 1 . 1 5 5 GLN HA H 1 4.887 . . 1 . . . . . 5 Q HA . 53513 1 36 . 1 . 1 5 5 GLN HB2 H 1 1.976 . . 2 . . . . . 5 Q HB# . 53513 1 37 . 1 . 1 5 5 GLN HB3 H 1 1.976 . . 2 . . . . . 5 Q HB# . 53513 1 38 . 1 . 1 5 5 GLN HE21 H 1 6.952 . . 1 . . . . . 5 Q HE21 . 53513 1 39 . 1 . 1 5 5 GLN HE22 H 1 7.881 . . 1 . . . . . 5 Q HE22 . 53513 1 40 . 1 . 1 5 5 GLN C C 13 175.361 . . 1 . . . . . 5 Q C . 53513 1 41 . 1 . 1 5 5 GLN CA C 13 55.550 . . 1 . . . . . 5 Q CA . 53513 1 42 . 1 . 1 5 5 GLN CB C 13 30.775 . . 1 . . . . . 5 Q CB . 53513 1 43 . 1 . 1 5 5 GLN N N 15 118.053 . . 1 . . . . . 5 Q N . 53513 1 44 . 1 . 1 5 5 GLN NE2 N 15 112.852 . . 1 . . . . . 5 Q NE2 . 53513 1 45 . 1 . 1 6 6 TYR H H 1 9.375 . . 1 . . . . . 6 Y HN . 53513 1 46 . 1 . 1 6 6 TYR HA H 1 5.348 . . 1 . . . . . 6 Y HA . 53513 1 47 . 1 . 1 6 6 TYR HB2 H 1 3.353 . . 2 . . . . . 6 Y HB1 . 53513 1 48 . 1 . 1 6 6 TYR HB3 H 1 2.812 . . 2 . . . . . 6 Y HB2 . 53513 1 49 . 1 . 1 6 6 TYR C C 13 175.065 . . 1 . . . . . 6 Y C . 53513 1 50 . 1 . 1 6 6 TYR CA C 13 57.139 . . 1 . . . . . 6 Y CA . 53513 1 51 . 1 . 1 6 6 TYR CB C 13 43.022 . . 1 . . . . . 6 Y CB . 53513 1 52 . 1 . 1 6 6 TYR N N 15 125.870 . . 1 . . . . . 6 Y N . 53513 1 53 . 1 . 1 7 7 LYS H H 1 9.192 . . 1 . . . . . 7 K HN . 53513 1 54 . 1 . 1 7 7 LYS HA H 1 5.222 . . 1 . . . . . 7 K HA . 53513 1 55 . 1 . 1 7 7 LYS HB2 H 1 1.927 . . 2 . . . . . 7 K HB# . 53513 1 56 . 1 . 1 7 7 LYS HB3 H 1 1.927 . . 2 . . . . . 7 K HB# . 53513 1 57 . 1 . 1 7 7 LYS C C 13 173.138 . . 1 . . . . . 7 K C . 53513 1 58 . 1 . 1 7 7 LYS CA C 13 55.297 . . 1 . . . . . 7 K CA . 53513 1 59 . 1 . 1 7 7 LYS CB C 13 36.155 . . 1 . . . . . 7 K CB . 53513 1 60 . 1 . 1 7 7 LYS N N 15 121.909 . . 1 . . . . . 7 K N . 53513 1 61 . 1 . 1 8 8 LEU H H 1 8.518 . . 1 . . . . . 8 L HN . 53513 1 62 . 1 . 1 8 8 LEU HA H 1 4.877 . . 1 . . . . . 8 L HA . 53513 1 63 . 1 . 1 8 8 LEU HB2 H 1 0.801 . . 2 . . . . . 8 L HB# . 53513 1 64 . 1 . 1 8 8 LEU HB3 H 1 0.801 . . 2 . . . . . 8 L HB# . 53513 1 65 . 1 . 1 8 8 LEU C C 13 174.161 . . 1 . . . . . 8 L C . 53513 1 66 . 1 . 1 8 8 LEU CA C 13 52.638 . . 1 . . . . . 8 L CA . 53513 1 67 . 1 . 1 8 8 LEU CB C 13 42.348 . . 1 . . . . . 8 L CB . 53513 1 68 . 1 . 1 8 8 LEU N N 15 125.668 . . 1 . . . . . 8 L N . 53513 1 69 . 1 . 1 9 9 ALA H H 1 9.271 . . 1 . . . . . 9 A HN . 53513 1 70 . 1 . 1 9 9 ALA HA H 1 4.746 . . 1 . . . . . 9 A HA . 53513 1 71 . 1 . 1 9 9 ALA HB1 H 1 1.278 . . 1 . . . . . 9 A HB# . 53513 1 72 . 1 . 1 9 9 ALA HB2 H 1 1.278 . . 1 . . . . . 9 A HB# . 53513 1 73 . 1 . 1 9 9 ALA HB3 H 1 1.278 . . 1 . . . . . 9 A HB# . 53513 1 74 . 1 . 1 9 9 ALA C C 13 175.129 . . 1 . . . . . 9 A C . 53513 1 75 . 1 . 1 9 9 ALA CA C 13 50.650 . . 1 . . . . . 9 A CA . 53513 1 76 . 1 . 1 9 9 ALA CB C 13 19.674 . . 1 . . . . . 9 A CB . 53513 1 77 . 1 . 1 9 9 ALA N N 15 130.054 . . 1 . . . . . 9 A N . 53513 1 78 . 1 . 1 10 10 LEU H H 1 8.560 . . 1 . . . . . 10 L HN . 53513 1 79 . 1 . 1 10 10 LEU HA H 1 4.476 . . 1 . . . . . 10 L HA . 53513 1 80 . 1 . 1 10 10 LEU HB2 H 1 1.405 . . 2 . . . . . 10 L HB# . 53513 1 81 . 1 . 1 10 10 LEU HB3 H 1 1.405 . . 2 . . . . . 10 L HB# . 53513 1 82 . 1 . 1 10 10 LEU C C 13 175.300 . . 1 . . . . . 10 L C . 53513 1 83 . 1 . 1 10 10 LEU CA C 13 54.434 . . 1 . . . . . 10 L CA . 53513 1 84 . 1 . 1 10 10 LEU CB C 13 42.424 . . 1 . . . . . 10 L CB . 53513 1 85 . 1 . 1 10 10 LEU N N 15 122.238 . . 1 . . . . . 10 L N . 53513 1 86 . 1 . 1 11 11 ASN H H 1 8.876 . . 1 . . . . . 11 N HN . 53513 1 87 . 1 . 1 11 11 ASN HA H 1 5.172 . . 1 . . . . . 11 N HA . 53513 1 88 . 1 . 1 11 11 ASN HB2 H 1 2.876 . . 2 . . . . . 11 N HB1 . 53513 1 89 . 1 . 1 11 11 ASN HB3 H 1 2.604 . . 2 . . . . . 11 N HB2 . 53513 1 90 . 1 . 1 11 11 ASN HD21 H 1 6.923 . . 1 . . . . . 11 N HD21 . 53513 1 91 . 1 . 1 11 11 ASN HD22 H 1 7.194 . . 1 . . . . . 11 N HD22 . 53513 1 92 . 1 . 1 11 11 ASN C C 13 175.024 . . 1 . . . . . 11 N C . 53513 1 93 . 1 . 1 11 11 ASN CA C 13 51.574 . . 1 . . . . . 11 N CA . 53513 1 94 . 1 . 1 11 11 ASN CB C 13 38.515 . . 1 . . . . . 11 N CB . 53513 1 95 . 1 . 1 11 11 ASN N N 15 125.387 . . 1 . . . . . 11 N N . 53513 1 96 . 1 . 1 11 11 ASN ND2 N 15 112.066 . . 1 . . . . . 11 N ND2 . 53513 1 97 . 1 . 1 12 12 GLY H H 1 8.022 . . 1 . . . . . 12 G HN . 53513 1 98 . 1 . 1 12 12 GLY HA2 H 1 4.016 . . 2 . . . . . 12 G HA1 . 53513 1 99 . 1 . 1 12 12 GLY HA3 H 1 4.381 . . 2 . . . . . 12 G HA2 . 53513 1 100 . 1 . 1 12 12 GLY C C 13 173.400 . . 1 . . . . . 12 G C . 53513 1 101 . 1 . 1 12 12 GLY CA C 13 44.773 . . 1 . . . . . 12 G CA . 53513 1 102 . 1 . 1 12 12 GLY N N 15 110.596 . . 1 . . . . . 12 G N . 53513 1 103 . 1 . 1 13 13 LYS H H 1 9.158 . . 1 . . . . . 13 K HN . 53513 1 104 . 1 . 1 13 13 LYS HA H 1 4.028 . . 1 . . . . . 13 K HA . 53513 1 105 . 1 . 1 13 13 LYS HB2 H 1 1.803 . . 2 . . . . . 13 K HB# . 53513 1 106 . 1 . 1 13 13 LYS HB3 H 1 1.803 . . 2 . . . . . 13 K HB# . 53513 1 107 . 1 . 1 13 13 LYS C C 13 178.627 . . 1 . . . . . 13 K C . 53513 1 108 . 1 . 1 13 13 LYS CA C 13 59.094 . . 1 . . . . . 13 K CA . 53513 1 109 . 1 . 1 13 13 LYS CB C 13 32.676 . . 1 . . . . . 13 K CB . 53513 1 110 . 1 . 1 13 13 LYS N N 15 121.176 . . 1 . . . . . 13 K N . 53513 1 111 . 1 . 1 14 14 THR H H 1 8.866 . . 1 . . . . . 14 T HN . 53513 1 112 . 1 . 1 14 14 THR HA H 1 4.346 . . 1 . . . . . 14 T HA . 53513 1 113 . 1 . 1 14 14 THR HB H 1 4.207 . . 1 . . . . . 14 T HB . 53513 1 114 . 1 . 1 14 14 THR C C 13 173.906 . . 1 . . . . . 14 T C . 53513 1 115 . 1 . 1 14 14 THR CA C 13 62.094 . . 1 . . . . . 14 T CA . 53513 1 116 . 1 . 1 14 14 THR CB C 13 69.703 . . 1 . . . . . 14 T CB . 53513 1 117 . 1 . 1 14 14 THR N N 15 109.373 . . 1 . . . . . 14 T N . 53513 1 118 . 1 . 1 15 15 LEU H H 1 7.446 . . 1 . . . . . 15 L HN . 53513 1 119 . 1 . 1 15 15 LEU HA H 1 4.448 . . 1 . . . . . 15 L HA . 53513 1 120 . 1 . 1 15 15 LEU HB2 H 1 1.508 . . 2 . . . . . 15 L HB1 . 53513 1 121 . 1 . 1 15 15 LEU HB3 H 1 1.422 . . 2 . . . . . 15 L HB2 . 53513 1 122 . 1 . 1 15 15 LEU C C 13 173.708 . . 1 . . . . . 15 L C . 53513 1 123 . 1 . 1 15 15 LEU CA C 13 55.098 . . 1 . . . . . 15 L CA . 53513 1 124 . 1 . 1 15 15 LEU CB C 13 43.572 . . 1 . . . . . 15 L CB . 53513 1 125 . 1 . 1 15 15 LEU N N 15 124.878 . . 1 . . . . . 15 L N . 53513 1 126 . 1 . 1 16 16 LYS H H 1 8.273 . . 1 . . . . . 16 K HN . 53513 1 127 . 1 . 1 16 16 LYS HA H 1 5.035 . . 1 . . . . . 16 K HA . 53513 1 128 . 1 . 1 16 16 LYS HB2 H 1 1.837 . . 2 . . . . . 16 K HB1 . 53513 1 129 . 1 . 1 16 16 LYS HB3 H 1 1.722 . . 2 . . . . . 16 K HB2 . 53513 1 130 . 1 . 1 16 16 LYS C C 13 176.144 . . 1 . . . . . 16 K C . 53513 1 131 . 1 . 1 16 16 LYS CA C 13 54.240 . . 1 . . . . . 16 K CA . 53513 1 132 . 1 . 1 16 16 LYS CB C 13 34.960 . . 1 . . . . . 16 K CB . 53513 1 133 . 1 . 1 16 16 LYS N N 15 124.103 . . 1 . . . . . 16 K N . 53513 1 134 . 1 . 1 17 17 GLY H H 1 8.461 . . 1 . . . . . 17 G HN . 53513 1 135 . 1 . 1 17 17 GLY HA2 H 1 4.203 . . 2 . . . . . 17 G HA1 . 53513 1 136 . 1 . 1 17 17 GLY HA3 H 1 4.139 . . 2 . . . . . 17 G HA2 . 53513 1 137 . 1 . 1 17 17 GLY C C 13 171.709 . . 1 . . . . . 17 G C . 53513 1 138 . 1 . 1 17 17 GLY CA C 13 45.129 . . 1 . . . . . 17 G CA . 53513 1 139 . 1 . 1 17 17 GLY N N 15 109.884 . . 1 . . . . . 17 G N . 53513 1 140 . 1 . 1 18 18 GLU H H 1 8.532 . . 1 . . . . . 18 E HN . 53513 1 141 . 1 . 1 18 18 GLU HA H 1 5.586 . . 1 . . . . . 18 E HA . 53513 1 142 . 1 . 1 18 18 GLU HB2 H 1 1.974 . . 2 . . . . . 18 E HB1 . 53513 1 143 . 1 . 1 18 18 GLU HB3 H 1 1.900 . . 2 . . . . . 18 E HB2 . 53513 1 144 . 1 . 1 18 18 GLU C C 13 175.346 . . 1 . . . . . 18 E C . 53513 1 145 . 1 . 1 18 18 GLU CA C 13 54.788 . . 1 . . . . . 18 E CA . 53513 1 146 . 1 . 1 18 18 GLU CB C 13 33.819 . . 1 . . . . . 18 E CB . 53513 1 147 . 1 . 1 18 18 GLU N N 15 119.579 . . 1 . . . . . 18 E N . 53513 1 148 . 1 . 1 19 19 THR H H 1 8.580 . . 1 . . . . . 19 T HN . 53513 1 149 . 1 . 1 19 19 THR HA H 1 4.710 . . 1 . . . . . 19 T HA . 53513 1 150 . 1 . 1 19 19 THR HB H 1 3.858 . . 1 . . . . . 19 T HB . 53513 1 151 . 1 . 1 19 19 THR C C 13 172.235 . . 1 . . . . . 19 T C . 53513 1 152 . 1 . 1 19 19 THR CA C 13 60.484 . . 1 . . . . . 19 T CA . 53513 1 153 . 1 . 1 19 19 THR CB C 13 69.779 . . 1 . . . . . 19 T CB . 53513 1 154 . 1 . 1 19 19 THR N N 15 115.897 . . 1 . . . . . 19 T N . 53513 1 155 . 1 . 1 20 20 THR H H 1 8.135 . . 1 . . . . . 20 T HN . 53513 1 156 . 1 . 1 20 20 THR HA H 1 5.806 . . 1 . . . . . 20 T HA . 53513 1 157 . 1 . 1 20 20 THR HB H 1 4.283 . . 1 . . . . . 20 T HB . 53513 1 158 . 1 . 1 20 20 THR C C 13 174.048 . . 1 . . . . . 20 T C . 53513 1 159 . 1 . 1 20 20 THR CA C 13 60.002 . . 1 . . . . . 20 T CA . 53513 1 160 . 1 . 1 20 20 THR CB C 13 73.306 . . 1 . . . . . 20 T CB . 53513 1 161 . 1 . 1 20 20 THR N N 15 111.920 . . 1 . . . . . 20 T N . 53513 1 162 . 1 . 1 21 21 THR H H 1 9.027 . . 1 . . . . . 21 T HN . 53513 1 163 . 1 . 1 21 21 THR HA H 1 4.656 . . 1 . . . . . 21 T HA . 53513 1 164 . 1 . 1 21 21 THR HB H 1 3.867 . . 1 . . . . . 21 T HB . 53513 1 165 . 1 . 1 21 21 THR C C 13 171.171 . . 1 . . . . . 21 T C . 53513 1 166 . 1 . 1 21 21 THR CA C 13 62.350 . . 1 . . . . . 21 T CA . 53513 1 167 . 1 . 1 21 21 THR CB C 13 69.902 . . 1 . . . . . 21 T CB . 53513 1 168 . 1 . 1 21 21 THR N N 15 115.187 . . 1 . . . . . 21 T N . 53513 1 169 . 1 . 1 22 22 GLU H H 1 8.075 . . 1 . . . . . 22 E HN . 53513 1 170 . 1 . 1 22 22 GLU HA H 1 5.555 . . 1 . . . . . 22 E HA . 53513 1 171 . 1 . 1 22 22 GLU HB2 H 1 1.906 . . 2 . . . . . 22 E HB# . 53513 1 172 . 1 . 1 22 22 GLU HB3 H 1 1.906 . . 2 . . . . . 22 E HB# . 53513 1 173 . 1 . 1 22 22 GLU C C 13 176.076 . . 1 . . . . . 22 E C . 53513 1 174 . 1 . 1 22 22 GLU CA C 13 54.892 . . 1 . . . . . 22 E CA . 53513 1 175 . 1 . 1 22 22 GLU CB C 13 31.260 . . 1 . . . . . 22 E CB . 53513 1 176 . 1 . 1 22 22 GLU N N 15 124.479 . . 1 . . . . . 22 E N . 53513 1 177 . 1 . 1 23 23 ALA H H 1 9.289 . . 1 . . . . . 23 A HN . 53513 1 178 . 1 . 1 23 23 ALA HA H 1 4.892 . . 1 . . . . . 23 A HA . 53513 1 179 . 1 . 1 23 23 ALA HB1 H 1 1.319 . . 1 . . . . . 23 A HB# . 53513 1 180 . 1 . 1 23 23 ALA HB2 H 1 1.319 . . 1 . . . . . 23 A HB# . 53513 1 181 . 1 . 1 23 23 ALA HB3 H 1 1.319 . . 1 . . . . . 23 A HB# . 53513 1 182 . 1 . 1 23 23 ALA C C 13 177.567 . . 1 . . . . . 23 A C . 53513 1 183 . 1 . 1 23 23 ALA CA C 13 51.414 . . 1 . . . . . 23 A CA . 53513 1 184 . 1 . 1 23 23 ALA CB C 13 23.881 . . 1 . . . . . 23 A CB . 53513 1 185 . 1 . 1 23 23 ALA N N 15 125.006 . . 1 . . . . . 23 A N . 53513 1 186 . 1 . 1 24 24 VAL H H 1 8.659 . . 1 . . . . . 24 V HN . 53513 1 187 . 1 . 1 24 24 VAL HA H 1 4.276 . . 1 . . . . . 24 V HA . 53513 1 188 . 1 . 1 24 24 VAL HB H 1 2.232 . . 1 . . . . . 24 V HB . 53513 1 189 . 1 . 1 24 24 VAL C C 13 175.003 . . 1 . . . . . 24 V C . 53513 1 190 . 1 . 1 24 24 VAL CA C 13 62.990 . . 1 . . . . . 24 V CA . 53513 1 191 . 1 . 1 24 24 VAL CB C 13 32.156 . . 1 . . . . . 24 V CB . 53513 1 192 . 1 . 1 24 24 VAL N N 15 114.706 . . 1 . . . . . 24 V N . 53513 1 193 . 1 . 1 25 25 ASP H H 1 7.360 . . 1 . . . . . 25 D HN . 53513 1 194 . 1 . 1 25 25 ASP HA H 1 4.623 . . 1 . . . . . 25 D HA . 53513 1 195 . 1 . 1 25 25 ASP HB2 H 1 3.058 . . 2 . . . . . 25 D HB1 . 53513 1 196 . 1 . 1 25 25 ASP HB3 H 1 3.027 . . 2 . . . . . 25 D HB2 . 53513 1 197 . 1 . 1 25 25 ASP C C 13 174.450 . . 1 . . . . . 25 D C . 53513 1 198 . 1 . 1 25 25 ASP CA C 13 52.802 . . 1 . . . . . 25 D CA . 53513 1 199 . 1 . 1 25 25 ASP CB C 13 41.832 . . 1 . . . . . 25 D CB . 53513 1 200 . 1 . 1 25 25 ASP N N 15 115.032 . . 1 . . . . . 25 D N . 53513 1 201 . 1 . 1 26 26 ALA H H 1 8.423 . . 1 . . . . . 26 A HN . 53513 1 202 . 1 . 1 26 26 ALA HA H 1 3.422 . . 1 . . . . . 26 A HA . 53513 1 203 . 1 . 1 26 26 ALA HB1 H 1 1.195 . . 1 . . . . . 26 A HB# . 53513 1 204 . 1 . 1 26 26 ALA HB2 H 1 1.195 . . 1 . . . . . 26 A HB# . 53513 1 205 . 1 . 1 26 26 ALA HB3 H 1 1.195 . . 1 . . . . . 26 A HB# . 53513 1 206 . 1 . 1 26 26 ALA C C 13 179.160 . . 1 . . . . . 26 A C . 53513 1 207 . 1 . 1 26 26 ALA CA C 13 54.591 . . 1 . . . . . 26 A CA . 53513 1 208 . 1 . 1 26 26 ALA CB C 13 17.489 . . 1 . . . . . 26 A CB . 53513 1 209 . 1 . 1 26 26 ALA N N 15 121.362 . . 1 . . . . . 26 A N . 53513 1 210 . 1 . 1 27 27 ALA H H 1 8.144 . . 1 . . . . . 27 A HN . 53513 1 211 . 1 . 1 27 27 ALA HA H 1 3.937 . . 1 . . . . . 27 A HA . 53513 1 212 . 1 . 1 27 27 ALA HB1 H 1 1.263 . . 1 . . . . . 27 A HB# . 53513 1 213 . 1 . 1 27 27 ALA HB2 H 1 1.263 . . 1 . . . . . 27 A HB# . 53513 1 214 . 1 . 1 27 27 ALA HB3 H 1 1.263 . . 1 . . . . . 27 A HB# . 53513 1 215 . 1 . 1 27 27 ALA C C 13 180.957 . . 1 . . . . . 27 A C . 53513 1 216 . 1 . 1 27 27 ALA CA C 13 54.783 . . 1 . . . . . 27 A CA . 53513 1 217 . 1 . 1 27 27 ALA CB C 13 17.899 . . 1 . . . . . 27 A CB . 53513 1 218 . 1 . 1 27 27 ALA N N 15 120.392 . . 1 . . . . . 27 A N . 53513 1 219 . 1 . 1 28 28 THR H H 1 8.339 . . 1 . . . . . 28 T HN . 53513 1 220 . 1 . 1 28 28 THR HA H 1 3.670 . . 1 . . . . . 28 T HA . 53513 1 221 . 1 . 1 28 28 THR HB H 1 3.985 . . 1 . . . . . 28 T HB . 53513 1 222 . 1 . 1 28 28 THR C C 13 176.199 . . 1 . . . . . 28 T C . 53513 1 223 . 1 . 1 28 28 THR CA C 13 66.943 . . 1 . . . . . 28 T CA . 53513 1 224 . 1 . 1 28 28 THR CB C 13 67.962 . . 1 . . . . . 28 T CB . 53513 1 225 . 1 . 1 28 28 THR N N 15 116.593 . . 1 . . . . . 28 T N . 53513 1 226 . 1 . 1 29 29 ALA H H 1 6.971 . . 1 . . . . . 29 A HN . 53513 1 227 . 1 . 1 29 29 ALA HA H 1 3.113 . . 1 . . . . . 29 A HA . 53513 1 228 . 1 . 1 29 29 ALA HB1 H 1 0.534 . . 1 . . . . . 29 A HB# . 53513 1 229 . 1 . 1 29 29 ALA HB2 H 1 0.534 . . 1 . . . . . 29 A HB# . 53513 1 230 . 1 . 1 29 29 ALA HB3 H 1 0.534 . . 1 . . . . . 29 A HB# . 53513 1 231 . 1 . 1 29 29 ALA C C 13 177.128 . . 1 . . . . . 29 A C . 53513 1 232 . 1 . 1 29 29 ALA CA C 13 54.899 . . 1 . . . . . 29 A CA . 53513 1 233 . 1 . 1 29 29 ALA CB C 13 17.455 . . 1 . . . . . 29 A CB . 53513 1 234 . 1 . 1 29 29 ALA N N 15 123.847 . . 1 . . . . . 29 A N . 53513 1 235 . 1 . 1 30 30 GLU H H 1 8.470 . . 1 . . . . . 30 E HN . 53513 1 236 . 1 . 1 30 30 GLU HA H 1 2.600 . . 1 . . . . . 30 E HA . 53513 1 237 . 1 . 1 30 30 GLU HB2 H 1 1.913 . . 2 . . . . . 30 E HB1 . 53513 1 238 . 1 . 1 30 30 GLU HB3 H 1 1.837 . . 2 . . . . . 30 E HB2 . 53513 1 239 . 1 . 1 30 30 GLU C C 13 177.337 . . 1 . . . . . 30 E C . 53513 1 240 . 1 . 1 30 30 GLU CA C 13 59.667 . . 1 . . . . . 30 E CA . 53513 1 241 . 1 . 1 30 30 GLU CB C 13 29.157 . . 1 . . . . . 30 E CB . 53513 1 242 . 1 . 1 30 30 GLU N N 15 116.932 . . 1 . . . . . 30 E N . 53513 1 243 . 1 . 1 31 31 LYS H H 1 7.001 . . 1 . . . . . 31 K HN . 53513 1 244 . 1 . 1 31 31 LYS HA H 1 3.707 . . 1 . . . . . 31 K HA . 53513 1 245 . 1 . 1 31 31 LYS HB2 H 1 1.809 . . 2 . . . . . 31 K HB# . 53513 1 246 . 1 . 1 31 31 LYS HB3 H 1 1.809 . . 2 . . . . . 31 K HB# . 53513 1 247 . 1 . 1 31 31 LYS C C 13 180.048 . . 1 . . . . . 31 K C . 53513 1 248 . 1 . 1 31 31 LYS CA C 13 59.784 . . 1 . . . . . 31 K CA . 53513 1 249 . 1 . 1 31 31 LYS CB C 13 32.347 . . 1 . . . . . 31 K CB . 53513 1 250 . 1 . 1 31 31 LYS N N 15 116.660 . . 1 . . . . . 31 K N . 53513 1 251 . 1 . 1 32 32 VAL H H 1 7.256 . . 1 . . . . . 32 V HN . 53513 1 252 . 1 . 1 32 32 VAL HA H 1 3.602 . . 1 . . . . . 32 V HA . 53513 1 253 . 1 . 1 32 32 VAL HB H 1 1.754 . . 1 . . . . . 32 V HB . 53513 1 254 . 1 . 1 32 32 VAL C C 13 179.836 . . 1 . . . . . 32 V C . 53513 1 255 . 1 . 1 32 32 VAL CA C 13 66.007 . . 1 . . . . . 32 V CA . 53513 1 256 . 1 . 1 32 32 VAL CB C 13 31.815 . . 1 . . . . . 32 V CB . 53513 1 257 . 1 . 1 32 32 VAL N N 15 120.830 . . 1 . . . . . 32 V N . 53513 1 258 . 1 . 1 33 33 PHE H H 1 8.436 . . 1 . . . . . 33 F HN . 53513 1 259 . 1 . 1 33 33 PHE HA H 1 4.767 . . 1 . . . . . 33 F HA . 53513 1 260 . 1 . 1 33 33 PHE HB2 H 1 3.357 . . 2 . . . . . 33 F HB1 . 53513 1 261 . 1 . 1 33 33 PHE HB3 H 1 2.860 . . 2 . . . . . 33 F HB2 . 53513 1 262 . 1 . 1 33 33 PHE C C 13 178.343 . . 1 . . . . . 33 F C . 53513 1 263 . 1 . 1 33 33 PHE CA C 13 56.656 . . 1 . . . . . 33 F CA . 53513 1 264 . 1 . 1 33 33 PHE CB C 13 37.467 . . 1 . . . . . 33 F CB . 53513 1 265 . 1 . 1 33 33 PHE N N 15 120.842 . . 1 . . . . . 33 F N . 53513 1 266 . 1 . 1 34 34 LYS H H 1 9.234 . . 1 . . . . . 34 K HN . 53513 1 267 . 1 . 1 34 34 LYS HA H 1 4.142 . . 1 . . . . . 34 K HA . 53513 1 268 . 1 . 1 34 34 LYS HB2 H 1 1.685 . . 2 . . . . . 34 K HB1 . 53513 1 269 . 1 . 1 34 34 LYS HB3 H 1 1.531 . . 2 . . . . . 34 K HB2 . 53513 1 270 . 1 . 1 34 34 LYS C C 13 179.534 . . 1 . . . . . 34 K C . 53513 1 271 . 1 . 1 34 34 LYS CA C 13 59.669 . . 1 . . . . . 34 K CA . 53513 1 272 . 1 . 1 34 34 LYS CB C 13 31.650 . . 1 . . . . . 34 K CB . 53513 1 273 . 1 . 1 34 34 LYS N N 15 123.088 . . 1 . . . . . 34 K N . 53513 1 274 . 1 . 1 35 35 GLN H H 1 7.477 . . 1 . . . . . 35 Q HN . 53513 1 275 . 1 . 1 35 35 GLN HA H 1 4.033 . . 1 . . . . . 35 Q HA . 53513 1 276 . 1 . 1 35 35 GLN HB2 H 1 2.236 . . 2 . . . . . 35 Q HB1 . 53513 1 277 . 1 . 1 35 35 GLN HB3 H 1 2.187 . . 2 . . . . . 35 Q HB2 . 53513 1 278 . 1 . 1 35 35 GLN HE21 H 1 6.967 . . 1 . . . . . 35 Q HE21 . 53513 1 279 . 1 . 1 35 35 GLN HE22 H 1 8.008 . . 1 . . . . . 35 Q HE22 . 53513 1 280 . 1 . 1 35 35 GLN C C 13 177.068 . . 1 . . . . . 35 Q C . 53513 1 281 . 1 . 1 35 35 GLN CA C 13 58.686 . . 1 . . . . . 35 Q CA . 53513 1 282 . 1 . 1 35 35 GLN CB C 13 28.194 . . 1 . . . . . 35 Q CB . 53513 1 283 . 1 . 1 35 35 GLN N N 15 119.968 . . 1 . . . . . 35 Q N . 53513 1 284 . 1 . 1 35 35 GLN NE2 N 15 116.083 . . 1 . . . . . 35 Q NE2 . 53513 1 285 . 1 . 1 36 36 TYR H H 1 8.243 . . 1 . . . . . 36 Y HN . 53513 1 286 . 1 . 1 36 36 TYR HA H 1 4.268 . . 1 . . . . . 36 Y HA . 53513 1 287 . 1 . 1 36 36 TYR HB2 H 1 3.293 . . 2 . . . . . 36 Y HB# . 53513 1 288 . 1 . 1 36 36 TYR HB3 H 1 3.293 . . 2 . . . . . 36 Y HB# . 53513 1 289 . 1 . 1 36 36 TYR C C 13 178.979 . . 1 . . . . . 36 Y C . 53513 1 290 . 1 . 1 36 36 TYR CA C 13 61.820 . . 1 . . . . . 36 Y CA . 53513 1 291 . 1 . 1 36 36 TYR CB C 13 38.506 . . 1 . . . . . 36 Y CB . 53513 1 292 . 1 . 1 36 36 TYR N N 15 121.027 . . 1 . . . . . 36 Y N . 53513 1 293 . 1 . 1 37 37 ALA H H 1 9.218 . . 1 . . . . . 37 A HN . 53513 1 294 . 1 . 1 37 37 ALA HA H 1 3.780 . . 1 . . . . . 37 A HA . 53513 1 295 . 1 . 1 37 37 ALA HB1 H 1 1.839 . . 1 . . . . . 37 A HB# . 53513 1 296 . 1 . 1 37 37 ALA HB2 H 1 1.839 . . 1 . . . . . 37 A HB# . 53513 1 297 . 1 . 1 37 37 ALA HB3 H 1 1.839 . . 1 . . . . . 37 A HB# . 53513 1 298 . 1 . 1 37 37 ALA C C 13 179.319 . . 1 . . . . . 37 A C . 53513 1 299 . 1 . 1 37 37 ALA CA C 13 56.234 . . 1 . . . . . 37 A CA . 53513 1 300 . 1 . 1 37 37 ALA CB C 13 17.818 . . 1 . . . . . 37 A CB . 53513 1 301 . 1 . 1 37 37 ALA N N 15 122.913 . . 1 . . . . . 37 A N . 53513 1 302 . 1 . 1 38 38 ASN H H 1 8.259 . . 1 . . . . . 38 N HN . 53513 1 303 . 1 . 1 38 38 ASN HA H 1 4.429 . . 1 . . . . . 38 N HA . 53513 1 304 . 1 . 1 38 38 ASN HB2 H 1 2.912 . . 2 . . . . . 38 N HB2 . 53513 1 305 . 1 . 1 38 38 ASN HD21 H 1 7.009 . . 1 . . . . . 38 N HD21 . 53513 1 306 . 1 . 1 38 38 ASN HD22 H 1 7.642 . . 1 . . . . . 38 N HD22 . 53513 1 307 . 1 . 1 38 38 ASN C C 13 179.248 . . 1 . . . . . 38 N C . 53513 1 308 . 1 . 1 38 38 ASN CA C 13 56.897 . . 1 . . . . . 38 N CA . 53513 1 309 . 1 . 1 38 38 ASN CB C 13 38.867 . . 1 . . . . . 38 N CB . 53513 1 310 . 1 . 1 38 38 ASN N N 15 117.703 . . 1 . . . . . 38 N N . 53513 1 311 . 1 . 1 38 38 ASN ND2 N 15 112.820 . . 1 . . . . . 38 N ND2 . 53513 1 312 . 1 . 1 39 39 ASP H H 1 8.925 . . 1 . . . . . 39 D HN . 53513 1 313 . 1 . 1 39 39 ASP HA H 1 4.335 . . 1 . . . . . 39 D HA . 53513 1 314 . 1 . 1 39 39 ASP HB2 H 1 2.703 . . 2 . . . . . 39 D HB1 . 53513 1 315 . 1 . 1 39 39 ASP HB3 H 1 2.552 . . 2 . . . . . 39 D HB2 . 53513 1 316 . 1 . 1 39 39 ASP C C 13 177.040 . . 1 . . . . . 39 D C . 53513 1 317 . 1 . 1 39 39 ASP CA C 13 56.911 . . 1 . . . . . 39 D CA . 53513 1 318 . 1 . 1 39 39 ASP CB C 13 40.049 . . 1 . . . . . 39 D CB . 53513 1 319 . 1 . 1 39 39 ASP N N 15 121.254 . . 1 . . . . . 39 D N . 53513 1 320 . 1 . 1 40 40 ASN H H 1 7.406 . . 1 . . . . . 40 N HN . 53513 1 321 . 1 . 1 40 40 ASN HA H 1 4.600 . . 1 . . . . . 40 N HA . 53513 1 322 . 1 . 1 40 40 ASN HB2 H 1 2.642 . . 2 . . . . . 40 N HB1 . 53513 1 323 . 1 . 1 40 40 ASN HB3 H 1 2.038 . . 2 . . . . . 40 N HB2 . 53513 1 324 . 1 . 1 40 40 ASN HD21 H 1 6.471 . . 1 . . . . . 40 N HD21 . 53513 1 325 . 1 . 1 40 40 ASN HD22 H 1 6.639 . . 1 . . . . . 40 N HD22 . 53513 1 326 . 1 . 1 40 40 ASN C C 13 173.955 . . 1 . . . . . 40 N C . 53513 1 327 . 1 . 1 40 40 ASN CA C 13 53.707 . . 1 . . . . . 40 N CA . 53513 1 328 . 1 . 1 40 40 ASN CB C 13 40.062 . . 1 . . . . . 40 N CB . 53513 1 329 . 1 . 1 40 40 ASN N N 15 115.206 . . 1 . . . . . 40 N N . 53513 1 330 . 1 . 1 40 40 ASN ND2 N 15 115.828 . . 1 . . . . . 40 N ND2 . 53513 1 331 . 1 . 1 41 41 GLY H H 1 7.760 . . 1 . . . . . 41 G HN . 53513 1 332 . 1 . 1 41 41 GLY HA2 H 1 3.876 . . 2 . . . . . 41 G HA1 . 53513 1 333 . 1 . 1 41 41 GLY HA3 H 1 3.879 . . 2 . . . . . 41 G HA2 . 53513 1 334 . 1 . 1 41 41 GLY C C 13 174.163 . . 1 . . . . . 41 G C . 53513 1 335 . 1 . 1 41 41 GLY CA C 13 47.051 . . 1 . . . . . 41 G CA . 53513 1 336 . 1 . 1 41 41 GLY N N 15 108.547 . . 1 . . . . . 41 G N . 53513 1 337 . 1 . 1 42 42 VAL H H 1 8.167 . . 1 . . . . . 42 V HN . 53513 1 338 . 1 . 1 42 42 VAL HA H 1 4.106 . . 1 . . . . . 42 V HA . 53513 1 339 . 1 . 1 42 42 VAL HB H 1 1.732 . . 1 . . . . . 42 V HB . 53513 1 340 . 1 . 1 42 42 VAL C C 13 173.828 . . 1 . . . . . 42 V C . 53513 1 341 . 1 . 1 42 42 VAL CA C 13 61.946 . . 1 . . . . . 42 V CA . 53513 1 342 . 1 . 1 42 42 VAL CB C 13 33.196 . . 1 . . . . . 42 V CB . 53513 1 343 . 1 . 1 42 42 VAL N N 15 120.514 . . 1 . . . . . 42 V N . 53513 1 344 . 1 . 1 43 43 ASP H H 1 8.565 . . 1 . . . . . 43 D HN . 53513 1 345 . 1 . 1 43 43 ASP HA H 1 4.894 . . 1 . . . . . 43 D HA . 53513 1 346 . 1 . 1 43 43 ASP HB2 H 1 2.718 . . 2 . . . . . 43 D HB1 . 53513 1 347 . 1 . 1 43 43 ASP HB3 H 1 2.583 . . 2 . . . . . 43 D HB2 . 53513 1 348 . 1 . 1 43 43 ASP C C 13 174.565 . . 1 . . . . . 43 D C . 53513 1 349 . 1 . 1 43 43 ASP CA C 13 52.464 . . 1 . . . . . 43 D CA . 53513 1 350 . 1 . 1 43 43 ASP CB C 13 43.367 . . 1 . . . . . 43 D CB . 53513 1 351 . 1 . 1 43 43 ASP N N 15 127.598 . . 1 . . . . . 43 D N . 53513 1 352 . 1 . 1 44 44 GLY H H 1 8.101 . . 1 . . . . . 44 G HN . 53513 1 353 . 1 . 1 44 44 GLY HA2 H 1 4.227 . . 2 . . . . . 44 G HA1 . 53513 1 354 . 1 . 1 44 44 GLY HA3 H 1 3.846 . . 2 . . . . . 44 G HA2 . 53513 1 355 . 1 . 1 44 44 GLY C C 13 171.788 . . 1 . . . . . 44 G C . 53513 1 356 . 1 . 1 44 44 GLY CA C 13 45.626 . . 1 . . . . . 44 G CA . 53513 1 357 . 1 . 1 44 44 GLY N N 15 108.052 . . 1 . . . . . 44 G N . 53513 1 358 . 1 . 1 45 45 GLU H H 1 8.224 . . 1 . . . . . 45 E HN . 53513 1 359 . 1 . 1 45 45 GLU HA H 1 4.701 . . 1 . . . . . 45 E HA . 53513 1 360 . 1 . 1 45 45 GLU HB2 H 1 2.034 . . 2 . . . . . 45 E HB1 . 53513 1 361 . 1 . 1 45 45 GLU HB3 H 1 1.939 . . 2 . . . . . 45 E HB2 . 53513 1 362 . 1 . 1 45 45 GLU C C 13 177.004 . . 1 . . . . . 45 E C . 53513 1 363 . 1 . 1 45 45 GLU CA C 13 55.462 . . 1 . . . . . 45 E CA . 53513 1 364 . 1 . 1 45 45 GLU CB C 13 31.441 . . 1 . . . . . 45 E CB . 53513 1 365 . 1 . 1 45 45 GLU N N 15 120.587 . . 1 . . . . . 45 E N . 53513 1 366 . 1 . 1 46 46 TRP H H 1 9.469 . . 1 . . . . . 46 W HN . 53513 1 367 . 1 . 1 46 46 TRP HA H 1 5.378 . . 1 . . . . . 46 W HA . 53513 1 368 . 1 . 1 46 46 TRP HB2 H 1 3.332 . . 2 . . . . . 46 W HB1 . 53513 1 369 . 1 . 1 46 46 TRP HB3 H 1 3.152 . . 2 . . . . . 46 W HB2 . 53513 1 370 . 1 . 1 46 46 TRP HE1 H 1 10.554 . . 1 . . . . . 46 W HE1 . 53513 1 371 . 1 . 1 46 46 TRP C C 13 177.033 . . 1 . . . . . 46 W C . 53513 1 372 . 1 . 1 46 46 TRP CA C 13 57.864 . . 1 . . . . . 46 W CA . 53513 1 373 . 1 . 1 46 46 TRP CB C 13 30.233 . . 1 . . . . . 46 W CB . 53513 1 374 . 1 . 1 46 46 TRP N N 15 128.503 . . 1 . . . . . 46 W N . 53513 1 375 . 1 . 1 46 46 TRP NE1 N 15 130.937 . . 1 . . . . . 46 W NE1 . 53513 1 376 . 1 . 1 47 47 THR H H 1 9.303 . . 1 . . . . . 47 T HN . 53513 1 377 . 1 . 1 47 47 THR HA H 1 4.815 . . 1 . . . . . 47 T HA . 53513 1 378 . 1 . 1 47 47 THR HB H 1 4.244 . . 1 . . . . . 47 T HB . 53513 1 379 . 1 . 1 47 47 THR C C 13 172.709 . . 1 . . . . . 47 T C . 53513 1 380 . 1 . 1 47 47 THR CA C 13 60.494 . . 1 . . . . . 47 T CA . 53513 1 381 . 1 . 1 47 47 THR CB C 13 72.367 . . 1 . . . . . 47 T CB . 53513 1 382 . 1 . 1 47 47 THR N N 15 114.816 . . 1 . . . . . 47 T N . 53513 1 383 . 1 . 1 48 48 TYR H H 1 8.697 . . 1 . . . . . 48 Y HN . 53513 1 384 . 1 . 1 48 48 TYR HA H 1 5.006 . . 1 . . . . . 48 Y HA . 53513 1 385 . 1 . 1 48 48 TYR HB2 H 1 2.856 . . 2 . . . . . 48 Y HB1 . 53513 1 386 . 1 . 1 48 48 TYR HB3 H 1 2.502 . . 2 . . . . . 48 Y HB2 . 53513 1 387 . 1 . 1 48 48 TYR C C 13 173.260 . . 1 . . . . . 48 Y C . 53513 1 388 . 1 . 1 48 48 TYR CA C 13 56.935 . . 1 . . . . . 48 Y CA . 53513 1 389 . 1 . 1 48 48 TYR CB C 13 41.609 . . 1 . . . . . 48 Y CB . 53513 1 390 . 1 . 1 48 48 TYR N N 15 120.699 . . 1 . . . . . 48 Y N . 53513 1 391 . 1 . 1 49 49 ASP H H 1 7.576 . . 1 . . . . . 49 D HN . 53513 1 392 . 1 . 1 49 49 ASP HA H 1 4.598 . . 1 . . . . . 49 D HA . 53513 1 393 . 1 . 1 49 49 ASP HB2 H 1 2.559 . . 2 . . . . . 49 D HB1 . 53513 1 394 . 1 . 1 49 49 ASP HB3 H 1 2.246 . . 2 . . . . . 49 D HB2 . 53513 1 395 . 1 . 1 49 49 ASP C C 13 174.413 . . 1 . . . . . 49 D C . 53513 1 396 . 1 . 1 49 49 ASP CA C 13 51.837 . . 1 . . . . . 49 D CA . 53513 1 397 . 1 . 1 49 49 ASP CB C 13 43.053 . . 1 . . . . . 49 D CB . 53513 1 398 . 1 . 1 49 49 ASP N N 15 128.360 . . 1 . . . . . 49 D N . 53513 1 399 . 1 . 1 50 50 ASP H H 1 8.593 . . 1 . . . . . 50 D HN . 53513 1 400 . 1 . 1 50 50 ASP HA H 1 4.044 . . 1 . . . . . 50 D HA . 53513 1 401 . 1 . 1 50 50 ASP HB2 H 1 2.787 . . 2 . . . . . 50 D HB1 . 53513 1 402 . 1 . 1 50 50 ASP HB3 H 1 2.534 . . 2 . . . . . 50 D HB2 . 53513 1 403 . 1 . 1 50 50 ASP C C 13 178.230 . . 1 . . . . . 50 D C . 53513 1 404 . 1 . 1 50 50 ASP CA C 13 56.382 . . 1 . . . . . 50 D CA . 53513 1 405 . 1 . 1 50 50 ASP CB C 13 41.803 . . 1 . . . . . 50 D CB . 53513 1 406 . 1 . 1 50 50 ASP N N 15 124.967 . . 1 . . . . . 50 D N . 53513 1 407 . 1 . 1 51 51 ALA H H 1 8.368 . . 1 . . . . . 51 A HN . 53513 1 408 . 1 . 1 51 51 ALA HA H 1 4.073 . . 1 . . . . . 51 A HA . 53513 1 409 . 1 . 1 51 51 ALA HB1 H 1 1.480 . . 1 . . . . . 51 A HB# . 53513 1 410 . 1 . 1 51 51 ALA HB2 H 1 1.480 . . 1 . . . . . 51 A HB# . 53513 1 411 . 1 . 1 51 51 ALA HB3 H 1 1.480 . . 1 . . . . . 51 A HB# . 53513 1 412 . 1 . 1 51 51 ALA C C 13 179.719 . . 1 . . . . . 51 A C . 53513 1 413 . 1 . 1 51 51 ALA CA C 13 55.098 . . 1 . . . . . 51 A CA . 53513 1 414 . 1 . 1 51 51 ALA CB C 13 18.353 . . 1 . . . . . 51 A CB . 53513 1 415 . 1 . 1 51 51 ALA N N 15 120.366 . . 1 . . . . . 51 A N . 53513 1 416 . 1 . 1 52 52 THR H H 1 6.991 . . 1 . . . . . 52 T HN . 53513 1 417 . 1 . 1 52 52 THR HA H 1 4.371 . . 1 . . . . . 52 T HA . 53513 1 418 . 1 . 1 52 52 THR HB H 1 4.376 . . 1 . . . . . 52 T HB . 53513 1 419 . 1 . 1 52 52 THR C C 13 175.107 . . 1 . . . . . 52 T C . 53513 1 420 . 1 . 1 52 52 THR CA C 13 60.339 . . 1 . . . . . 52 T CA . 53513 1 421 . 1 . 1 52 52 THR CB C 13 70.191 . . 1 . . . . . 52 T CB . 53513 1 422 . 1 . 1 52 52 THR N N 15 103.390 . . 1 . . . . . 52 T N . 53513 1 423 . 1 . 1 53 53 LYS H H 1 7.847 . . 1 . . . . . 53 K HN . 53513 1 424 . 1 . 1 53 53 LYS HA H 1 4.098 . . 1 . . . . . 53 K HA . 53513 1 425 . 1 . 1 53 53 LYS HB2 H 1 1.951 . . 2 . . . . . 53 K HB1 . 53513 1 426 . 1 . 1 53 53 LYS HB3 H 1 1.806 . . 2 . . . . . 53 K HB2 . 53513 1 427 . 1 . 1 53 53 LYS C C 13 174.773 . . 1 . . . . . 53 K C . 53513 1 428 . 1 . 1 53 53 LYS CA C 13 57.534 . . 1 . . . . . 53 K CA . 53513 1 429 . 1 . 1 53 53 LYS CB C 13 30.596 . . 1 . . . . . 53 K CB . 53513 1 430 . 1 . 1 53 53 LYS N N 15 124.021 . . 1 . . . . . 53 K N . 53513 1 431 . 1 . 1 54 54 THR H H 1 7.308 . . 1 . . . . . 54 T HN . 53513 1 432 . 1 . 1 54 54 THR HA H 1 5.477 . . 1 . . . . . 54 T HA . 53513 1 433 . 1 . 1 54 54 THR HB H 1 3.741 . . 1 . . . . . 54 T HB . 53513 1 434 . 1 . 1 54 54 THR C C 13 175.139 . . 1 . . . . . 54 T C . 53513 1 435 . 1 . 1 54 54 THR CA C 13 62.080 . . 1 . . . . . 54 T CA . 53513 1 436 . 1 . 1 54 54 THR CB C 13 71.950 . . 1 . . . . . 54 T CB . 53513 1 437 . 1 . 1 54 54 THR N N 15 110.534 . . 1 . . . . . 54 T N . 53513 1 438 . 1 . 1 55 55 PHE H H 1 10.363 . . 1 . . . . . 55 F HN . 53513 1 439 . 1 . 1 55 55 PHE HA H 1 5.628 . . 1 . . . . . 55 F HA . 53513 1 440 . 1 . 1 55 55 PHE HB2 H 1 3.265 . . 2 . . . . . 55 F HB1 . 53513 1 441 . 1 . 1 55 55 PHE HB3 H 1 3.184 . . 2 . . . . . 55 F HB2 . 53513 1 442 . 1 . 1 55 55 PHE C C 13 174.239 . . 1 . . . . . 55 F C . 53513 1 443 . 1 . 1 55 55 PHE CA C 13 57.325 . . 1 . . . . . 55 F CA . 53513 1 444 . 1 . 1 55 55 PHE CB C 13 42.262 . . 1 . . . . . 55 F CB . 53513 1 445 . 1 . 1 55 55 PHE N N 15 131.466 . . 1 . . . . . 55 F N . 53513 1 446 . 1 . 1 56 56 THR H H 1 9.202 . . 1 . . . . . 56 T HN . 53513 1 447 . 1 . 1 56 56 THR HA H 1 5.204 . . 1 . . . . . 56 T HA . 53513 1 448 . 1 . 1 56 56 THR HB H 1 3.822 . . 1 . . . . . 56 T HB . 53513 1 449 . 1 . 1 56 56 THR C C 13 172.790 . . 1 . . . . . 56 T C . 53513 1 450 . 1 . 1 56 56 THR CA C 13 61.543 . . 1 . . . . . 56 T CA . 53513 1 451 . 1 . 1 56 56 THR CB C 13 70.813 . . 1 . . . . . 56 T CB . 53513 1 452 . 1 . 1 56 56 THR N N 15 118.303 . . 1 . . . . . 56 T N . 53513 1 453 . 1 . 1 57 57 VAL H H 1 8.119 . . 1 . . . . . 57 V HN . 53513 1 454 . 1 . 1 57 57 VAL HA H 1 4.437 . . 1 . . . . . 57 V HA . 53513 1 455 . 1 . 1 57 57 VAL HB H 1 0.038 . . 1 . . . . . 57 V HB . 53513 1 456 . 1 . 1 57 57 VAL C C 13 173.750 . . 1 . . . . . 57 V C . 53513 1 457 . 1 . 1 57 57 VAL CA C 13 58.431 . . 1 . . . . . 57 V CA . 53513 1 458 . 1 . 1 57 57 VAL CB C 13 32.401 . . 1 . . . . . 57 V CB . 53513 1 459 . 1 . 1 57 57 VAL N N 15 123.717 . . 1 . . . . . 57 V N . 53513 1 460 . 1 . 1 58 58 THR H H 1 8.489 . . 1 . . . . . 58 T HN . 53513 1 461 . 1 . 1 58 58 THR HA H 1 4.694 . . 1 . . . . . 58 T HA . 53513 1 462 . 1 . 1 58 58 THR HB H 1 3.858 . . 1 . . . . . 58 T HB . 53513 1 463 . 1 . 1 58 58 THR C C 13 174.345 . . 1 . . . . . 58 T C . 53513 1 464 . 1 . 1 58 58 THR CA C 13 60.991 . . 1 . . . . . 58 T CA . 53513 1 465 . 1 . 1 58 58 THR CB C 13 70.348 . . 1 . . . . . 58 T CB . 53513 1 466 . 1 . 1 58 58 THR N N 15 124.047 . . 1 . . . . . 58 T N . 53513 1 467 . 1 . 1 59 59 GLU H H 1 8.189 . . 1 . . . . . 59 E HN . 53513 1 468 . 1 . 1 59 59 GLU HA H 1 4.508 . . 1 . . . . . 59 E HA . 53513 1 469 . 1 . 1 59 59 GLU HB2 H 1 2.112 . . 2 . . . . . 59 E HB1 . 53513 1 470 . 1 . 1 59 59 GLU HB3 H 1 1.923 . . 2 . . . . . 59 E HB2 . 53513 1 471 . 1 . 1 59 59 GLU C C 13 175.954 . . 1 . . . . . 59 E C . 53513 1 472 . 1 . 1 59 59 GLU CA C 13 56.423 . . 1 . . . . . 59 E CA . 53513 1 473 . 1 . 1 59 59 GLU CB C 13 31.500 . . 1 . . . . . 59 E CB . 53513 1 474 . 1 . 1 59 59 GLU N N 15 128.241 . . 1 . . . . . 59 E N . 53513 1 475 . 1 . 1 60 60 THR H H 1 8.677 . . 1 . . . . . 60 T HN . 53513 1 476 . 1 . 1 60 60 THR HA H 1 4.403 . . 1 . . . . . 60 T HA . 53513 1 477 . 1 . 1 60 60 THR HB H 1 4.260 . . 1 . . . . . 60 T HB . 53513 1 478 . 1 . 1 60 60 THR C C 13 174.551 . . 1 . . . . . 60 T C . 53513 1 479 . 1 . 1 60 60 THR CA C 13 61.583 . . 1 . . . . . 60 T CA . 53513 1 480 . 1 . 1 60 60 THR CB C 13 70.067 . . 1 . . . . . 60 T CB . 53513 1 481 . 1 . 1 60 60 THR N N 15 118.274 . . 1 . . . . . 60 T N . 53513 1 482 . 1 . 1 61 61 SER H H 1 8.610 . . 1 . . . . . 61 S HN . 53513 1 483 . 1 . 1 61 61 SER HA H 1 4.491 . . 1 . . . . . 61 S HA . 53513 1 484 . 1 . 1 61 61 SER HB2 H 1 3.899 . . 2 . . . . . 61 S HB1 . 53513 1 485 . 1 . 1 61 61 SER HB3 H 1 3.844 . . 2 . . . . . 61 S HB2 . 53513 1 486 . 1 . 1 61 61 SER C C 13 174.433 . . 1 . . . . . 61 S C . 53513 1 487 . 1 . 1 61 61 SER CA C 13 58.356 . . 1 . . . . . 61 S CA . 53513 1 488 . 1 . 1 61 61 SER CB C 13 63.927 . . 1 . . . . . 61 S CB . 53513 1 489 . 1 . 1 61 61 SER N N 15 118.147 . . 1 . . . . . 61 S N . 53513 1 490 . 1 . 1 62 62 ASP H H 1 8.451 . . 1 . . . . . 62 D HN . 53513 1 491 . 1 . 1 62 62 ASP HA H 1 4.625 . . 1 . . . . . 62 D HA . 53513 1 492 . 1 . 1 62 62 ASP HB2 H 1 2.750 . . 2 . . . . . 62 D HB1 . 53513 1 493 . 1 . 1 62 62 ASP HB3 H 1 2.671 . . 2 . . . . . 62 D HB2 . 53513 1 494 . 1 . 1 62 62 ASP C C 13 176.896 . . 1 . . . . . 62 D C . 53513 1 495 . 1 . 1 62 62 ASP CA C 13 54.170 . . 1 . . . . . 62 D CA . 53513 1 496 . 1 . 1 62 62 ASP CB C 13 41.117 . . 1 . . . . . 62 D CB . 53513 1 497 . 1 . 1 62 62 ASP N N 15 122.193 . . 1 . . . . . 62 D N . 53513 1 498 . 1 . 1 63 63 GLY H H 1 8.437 . . 1 . . . . . 63 G HN . 53513 1 499 . 1 . 1 63 63 GLY HA2 H 1 4.016 . . 2 . . . . . 63 G HA1 . 53513 1 500 . 1 . 1 63 63 GLY HA3 H 1 3.951 . . 2 . . . . . 63 G HA2 . 53513 1 501 . 1 . 1 63 63 GLY C C 13 174.876 . . 1 . . . . . 63 G C . 53513 1 502 . 1 . 1 63 63 GLY CA C 13 45.635 . . 1 . . . . . 63 G CA . 53513 1 503 . 1 . 1 63 63 GLY N N 15 109.511 . . 1 . . . . . 63 G N . 53513 1 504 . 1 . 1 64 64 THR H H 1 8.227 . . 1 . . . . . 64 T HN . 53513 1 505 . 1 . 1 64 64 THR HA H 1 4.337 . . 1 . . . . . 64 T HA . 53513 1 506 . 1 . 1 64 64 THR HB H 1 4.258 . . 1 . . . . . 64 T HB . 53513 1 507 . 1 . 1 64 64 THR C C 13 175.142 . . 1 . . . . . 64 T C . 53513 1 508 . 1 . 1 64 64 THR CA C 13 62.323 . . 1 . . . . . 64 T CA . 53513 1 509 . 1 . 1 64 64 THR CB C 13 70.039 . . 1 . . . . . 64 T CB . 53513 1 510 . 1 . 1 64 64 THR N N 15 113.585 . . 1 . . . . . 64 T N . 53513 1 511 . 1 . 1 65 65 SER H H 1 8.493 . . 1 . . . . . 65 S HN . 53513 1 512 . 1 . 1 65 65 SER HA H 1 4.483 . . 1 . . . . . 65 S HA . 53513 1 513 . 1 . 1 65 65 SER HB2 H 1 3.900 . . 2 . . . . . 65 S HB1 . 53513 1 514 . 1 . 1 65 65 SER HB3 H 1 3.844 . . 2 . . . . . 65 S HB2 . 53513 1 515 . 1 . 1 65 65 SER C C 13 174.865 . . 1 . . . . . 65 S C . 53513 1 516 . 1 . 1 65 65 SER CA C 13 58.655 . . 1 . . . . . 65 S CA . 53513 1 517 . 1 . 1 65 65 SER CB C 13 63.705 . . 1 . . . . . 65 S CB . 53513 1 518 . 1 . 1 65 65 SER N N 15 118.049 . . 1 . . . . . 65 S N . 53513 1 519 . 1 . 1 66 66 SER H H 1 8.453 . . 1 . . . . . 66 S HN . 53513 1 520 . 1 . 1 66 66 SER HA H 1 4.410 . . 1 . . . . . 66 S HA . 53513 1 521 . 1 . 1 66 66 SER HB2 H 1 3.860 . . 2 . . . . . 66 S HB1 . 53513 1 522 . 1 . 1 66 66 SER HB3 H 1 3.797 . . 2 . . . . . 66 S HB2 . 53513 1 523 . 1 . 1 66 66 SER C C 13 174.618 . . 1 . . . . . 66 S C . 53513 1 524 . 1 . 1 66 66 SER CA C 13 58.793 . . 1 . . . . . 66 S CA . 53513 1 525 . 1 . 1 66 66 SER CB C 13 63.640 . . 1 . . . . . 66 S CB . 53513 1 526 . 1 . 1 66 66 SER N N 15 118.201 . . 1 . . . . . 66 S N . 53513 1 527 . 1 . 1 67 67 PHE H H 1 8.369 . . 1 . . . . . 67 F HN . 53513 1 528 . 1 . 1 67 67 PHE HA H 1 4.557 . . 1 . . . . . 67 F HA . 53513 1 529 . 1 . 1 67 67 PHE HB2 H 1 3.088 . . 2 . . . . . 67 F HB2 . 53513 1 530 . 1 . 1 67 67 PHE C C 13 176.229 . . 1 . . . . . 67 F C . 53513 1 531 . 1 . 1 67 67 PHE CA C 13 58.421 . . 1 . . . . . 67 F CA . 53513 1 532 . 1 . 1 67 67 PHE CB C 13 39.129 . . 1 . . . . . 67 F CB . 53513 1 533 . 1 . 1 67 67 PHE N N 15 122.810 . . 1 . . . . . 67 F N . 53513 1 534 . 1 . 1 68 68 LYS H H 1 8.227 . . 1 . . . . . 68 K HN . 53513 1 535 . 1 . 1 68 68 LYS HA H 1 4.176 . . 1 . . . . . 68 K HA . 53513 1 536 . 1 . 1 68 68 LYS HB2 H 1 1.791 . . 2 . . . . . 68 K HB1 . 53513 1 537 . 1 . 1 68 68 LYS HB3 H 1 1.728 . . 2 . . . . . 68 K HB2 . 53513 1 538 . 1 . 1 68 68 LYS C C 13 176.852 . . 1 . . . . . 68 K C . 53513 1 539 . 1 . 1 68 68 LYS CA C 13 56.916 . . 1 . . . . . 68 K CA . 53513 1 540 . 1 . 1 68 68 LYS CB C 13 33.016 . . 1 . . . . . 68 K CB . 53513 1 541 . 1 . 1 68 68 LYS N N 15 122.869 . . 1 . . . . . 68 K N . 53513 1 542 . 1 . 1 69 69 GLU H H 1 8.384 . . 1 . . . . . 69 E HN . 53513 1 543 . 1 . 1 69 69 GLU HA H 1 4.148 . . 1 . . . . . 69 E HA . 53513 1 544 . 1 . 1 69 69 GLU HB2 H 1 2.040 . . 2 . . . . . 69 E HB1 . 53513 1 545 . 1 . 1 69 69 GLU HB3 H 1 1.976 . . 2 . . . . . 69 E HB2 . 53513 1 546 . 1 . 1 69 69 GLU C C 13 177.248 . . 1 . . . . . 69 E C . 53513 1 547 . 1 . 1 69 69 GLU CA C 13 57.434 . . 1 . . . . . 69 E CA . 53513 1 548 . 1 . 1 69 69 GLU CB C 13 29.871 . . 1 . . . . . 69 E CB . 53513 1 549 . 1 . 1 69 69 GLU N N 15 121.524 . . 1 . . . . . 69 E N . 53513 1 550 . 1 . 1 70 70 SER H H 1 8.337 . . 1 . . . . . 70 S HN . 53513 1 551 . 1 . 1 70 70 SER HA H 1 4.278 . . 1 . . . . . 70 S HA . 53513 1 552 . 1 . 1 70 70 SER HB2 H 1 3.917 . . 2 . . . . . 70 S HB1 . 53513 1 553 . 1 . 1 70 70 SER HB3 H 1 3.809 . . 2 . . . . . 70 S HB2 . 53513 1 554 . 1 . 1 70 70 SER C C 13 175.257 . . 1 . . . . . 70 S C . 53513 1 555 . 1 . 1 70 70 SER CA C 13 59.242 . . 1 . . . . . 70 S CA . 53513 1 556 . 1 . 1 70 70 SER CB C 13 63.471 . . 1 . . . . . 70 S CB . 53513 1 557 . 1 . 1 70 70 SER N N 15 116.325 . . 1 . . . . . 70 S N . 53513 1 558 . 1 . 1 71 71 ALA H H 1 8.323 . . 1 . . . . . 71 A HN . 53513 1 559 . 1 . 1 71 71 ALA HA H 1 4.213 . . 1 . . . . . 71 A HA . 53513 1 560 . 1 . 1 71 71 ALA HB1 H 1 1.373 . . 1 . . . . . 71 A HB# . 53513 1 561 . 1 . 1 71 71 ALA HB2 H 1 1.373 . . 1 . . . . . 71 A HB# . 53513 1 562 . 1 . 1 71 71 ALA HB3 H 1 1.373 . . 1 . . . . . 71 A HB# . 53513 1 563 . 1 . 1 71 71 ALA C C 13 178.517 . . 1 . . . . . 71 A C . 53513 1 564 . 1 . 1 71 71 ALA CA C 13 53.493 . . 1 . . . . . 71 A CA . 53513 1 565 . 1 . 1 71 71 ALA CB C 13 18.771 . . 1 . . . . . 71 A CB . 53513 1 566 . 1 . 1 71 71 ALA N N 15 125.816 . . 1 . . . . . 71 A N . 53513 1 567 . 1 . 1 72 72 LEU H H 1 8.012 . . 1 . . . . . 72 L HN . 53513 1 568 . 1 . 1 72 72 LEU HA H 1 4.206 . . 1 . . . . . 72 L HA . 53513 1 569 . 1 . 1 72 72 LEU HB2 H 1 1.650 . . 2 . . . . . 72 L HB1 . 53513 1 570 . 1 . 1 72 72 LEU HB3 H 1 1.561 . . 2 . . . . . 72 L HB2 . 53513 1 571 . 1 . 1 72 72 LEU C C 13 178.100 . . 1 . . . . . 72 L C . 53513 1 572 . 1 . 1 72 72 LEU CA C 13 55.886 . . 1 . . . . . 72 L CA . 53513 1 573 . 1 . 1 72 72 LEU CB C 13 41.994 . . 1 . . . . . 72 L CB . 53513 1 574 . 1 . 1 72 72 LEU N N 15 119.557 . . 1 . . . . . 72 L N . 53513 1 575 . 1 . 1 73 73 ARG H H 1 8.068 . . 1 . . . . . 73 R HN . 53513 1 576 . 1 . 1 73 73 ARG HA H 1 4.221 . . 1 . . . . . 73 R HA . 53513 1 577 . 1 . 1 73 73 ARG HB2 H 1 1.831 . . 2 . . . . . 73 R HB1 . 53513 1 578 . 1 . 1 73 73 ARG HB3 H 1 1.786 . . 2 . . . . . 73 R HB2 . 53513 1 579 . 1 . 1 73 73 ARG C C 13 176.864 . . 1 . . . . . 73 R C . 53513 1 580 . 1 . 1 73 73 ARG CA C 13 56.760 . . 1 . . . . . 73 R CA . 53513 1 581 . 1 . 1 73 73 ARG CB C 13 30.493 . . 1 . . . . . 73 R CB . 53513 1 582 . 1 . 1 73 73 ARG N N 15 120.896 . . 1 . . . . . 73 R N . 53513 1 583 . 1 . 1 74 74 LYS H H 1 8.219 . . 1 . . . . . 74 K HN . 53513 1 584 . 1 . 1 74 74 LYS HA H 1 4.216 . . 1 . . . . . 74 K HA . 53513 1 585 . 1 . 1 74 74 LYS HB2 H 1 1.772 . . 2 . . . . . 74 K HB1 . 53513 1 586 . 1 . 1 74 74 LYS HB3 H 1 1.829 . . 2 . . . . . 74 K HB2 . 53513 1 587 . 1 . 1 74 74 LYS C C 13 177.002 . . 1 . . . . . 74 K C . 53513 1 588 . 1 . 1 74 74 LYS CA C 13 57.038 . . 1 . . . . . 74 K CA . 53513 1 589 . 1 . 1 74 74 LYS CB C 13 32.777 . . 1 . . . . . 74 K CB . 53513 1 590 . 1 . 1 74 74 LYS N N 15 121.734 . . 1 . . . . . 74 K N . 53513 1 591 . 1 . 1 75 75 GLN H H 1 8.334 . . 1 . . . . . 75 Q HN . 53513 1 592 . 1 . 1 75 75 GLN HA H 1 4.268 . . 1 . . . . . 75 Q HA . 53513 1 593 . 1 . 1 75 75 GLN HB2 H 1 2.011 . . 2 . . . . . 75 Q HB1 . 53513 1 594 . 1 . 1 75 75 GLN HB3 H 1 2.097 . . 2 . . . . . 75 Q HB2 . 53513 1 595 . 1 . 1 75 75 GLN HE21 H 1 6.918 . . 1 . . . . . 75 Q HE21 . 53513 1 596 . 1 . 1 75 75 GLN HE22 H 1 7.587 . . 1 . . . . . 75 Q HE22 . 53513 1 597 . 1 . 1 75 75 GLN C C 13 176.393 . . 1 . . . . . 75 Q C . 53513 1 598 . 1 . 1 75 75 GLN CA C 13 56.396 . . 1 . . . . . 75 Q CA . 53513 1 599 . 1 . 1 75 75 GLN CB C 13 29.350 . . 1 . . . . . 75 Q CB . 53513 1 600 . 1 . 1 75 75 GLN N N 15 120.714 . . 1 . . . . . 75 Q N . 53513 1 601 . 1 . 1 75 75 GLN NE2 N 15 112.601 . . 1 . . . . . 75 Q NE2 . 53513 1 602 . 1 . 1 76 76 SER H H 1 8.336 . . 1 . . . . . 76 S HN . 53513 1 603 . 1 . 1 76 76 SER HA H 1 4.360 . . 1 . . . . . 76 S HA . 53513 1 604 . 1 . 1 76 76 SER HB2 H 1 3.811 . . 2 . . . . . 76 S HB1 . 53513 1 605 . 1 . 1 76 76 SER HB3 H 1 3.863 . . 2 . . . . . 76 S HB2 . 53513 1 606 . 1 . 1 76 76 SER C C 13 174.654 . . 1 . . . . . 76 S C . 53513 1 607 . 1 . 1 76 76 SER CA C 13 58.834 . . 1 . . . . . 76 S CA . 53513 1 608 . 1 . 1 76 76 SER CB C 13 63.560 . . 1 . . . . . 76 S CB . 53513 1 609 . 1 . 1 76 76 SER N N 15 116.645 . . 1 . . . . . 76 S N . 53513 1 610 . 1 . 1 77 77 LEU H H 1 8.161 . . 1 . . . . . 77 L HN . 53513 1 611 . 1 . 1 77 77 LEU HA H 1 4.234 . . 1 . . . . . 77 L HA . 53513 1 612 . 1 . 1 77 77 LEU HB2 H 1 1.494 . . 2 . . . . . 77 L HB1 . 53513 1 613 . 1 . 1 77 77 LEU HB3 H 1 1.387 . . 2 . . . . . 77 L HB2 . 53513 1 614 . 1 . 1 77 77 LEU C C 13 177.069 . . 1 . . . . . 77 L C . 53513 1 615 . 1 . 1 77 77 LEU CA C 13 55.632 . . 1 . . . . . 77 L CA . 53513 1 616 . 1 . 1 77 77 LEU CB C 13 42.270 . . 1 . . . . . 77 L CB . 53513 1 617 . 1 . 1 77 77 LEU N N 15 123.644 . . 1 . . . . . 77 L N . 53513 1 618 . 1 . 1 78 78 TYR H H 1 8.068 . . 1 . . . . . 78 Y HN . 53513 1 619 . 1 . 1 78 78 TYR HA H 1 4.529 . . 1 . . . . . 78 Y HA . 53513 1 620 . 1 . 1 78 78 TYR HB2 H 1 3.057 . . 2 . . . . . 78 Y HB1 . 53513 1 621 . 1 . 1 78 78 TYR HB3 H 1 2.897 . . 2 . . . . . 78 Y HB2 . 53513 1 622 . 1 . 1 78 78 TYR C C 13 175.611 . . 1 . . . . . 78 Y C . 53513 1 623 . 1 . 1 78 78 TYR CA C 13 57.781 . . 1 . . . . . 78 Y CA . 53513 1 624 . 1 . 1 78 78 TYR CB C 13 38.526 . . 1 . . . . . 78 Y CB . 53513 1 625 . 1 . 1 78 78 TYR N N 15 119.674 . . 1 . . . . . 78 Y N . 53513 1 626 . 1 . 1 79 79 LEU H H 1 8.012 . . 1 . . . . . 79 L HN . 53513 1 627 . 1 . 1 79 79 LEU HA H 1 4.255 . . 1 . . . . . 79 L HA . 53513 1 628 . 1 . 1 79 79 LEU HB2 H 1 1.559 . . 2 . . . . . 79 L HB1 . 53513 1 629 . 1 . 1 79 79 LEU HB3 H 1 1.438 . . 2 . . . . . 79 L HB2 . 53513 1 630 . 1 . 1 79 79 LEU C C 13 176.715 . . 1 . . . . . 79 L C . 53513 1 631 . 1 . 1 79 79 LEU CA C 13 54.999 . . 1 . . . . . 79 L CA . 53513 1 632 . 1 . 1 79 79 LEU CB C 13 42.383 . . 1 . . . . . 79 L CB . 53513 1 633 . 1 . 1 79 79 LEU N N 15 123.476 . . 1 . . . . . 79 L N . 53513 1 634 . 1 . 1 80 80 LYS H H 1 8.168 . . 1 . . . . . 80 K HN . 53513 1 635 . 1 . 1 80 80 LYS HA H 1 4.215 . . 1 . . . . . 80 K HA . 53513 1 636 . 1 . 1 80 80 LYS HB2 H 1 1.732 . . 2 . . . . . 80 K HB1 . 53513 1 637 . 1 . 1 80 80 LYS HB3 H 1 1.660 . . 2 . . . . . 80 K HB2 . 53513 1 638 . 1 . 1 80 80 LYS C C 13 175.898 . . 1 . . . . . 80 K C . 53513 1 639 . 1 . 1 80 80 LYS CA C 13 56.212 . . 1 . . . . . 80 K CA . 53513 1 640 . 1 . 1 80 80 LYS CB C 13 32.952 . . 1 . . . . . 80 K CB . 53513 1 641 . 1 . 1 80 80 LYS N N 15 121.802 . . 1 . . . . . 80 K N . 53513 1 642 . 1 . 1 81 81 PHE H H 1 8.237 . . 1 . . . . . 81 F HN . 53513 1 643 . 1 . 1 81 81 PHE HA H 1 4.582 . . 1 . . . . . 81 F HA . 53513 1 644 . 1 . 1 81 81 PHE HB2 H 1 3.001 . . 2 . . . . . 81 F HB2 . 53513 1 645 . 1 . 1 81 81 PHE C C 13 174.533 . . 1 . . . . . 81 F C . 53513 1 646 . 1 . 1 81 81 PHE CA C 13 57.307 . . 1 . . . . . 81 F CA . 53513 1 647 . 1 . 1 81 81 PHE CB C 13 39.867 . . 1 . . . . . 81 F CB . 53513 1 648 . 1 . 1 81 81 PHE N N 15 121.965 . . 1 . . . . . 81 F N . 53513 1 649 . 1 . 1 82 82 ASP H H 1 8.308 . . 1 . . . . . 82 D HN . 53513 1 650 . 1 . 1 82 82 ASP HA H 1 4.807 . . 1 . . . . . 82 D HA . 53513 1 651 . 1 . 1 82 82 ASP HB2 H 1 2.748 . . 2 . . . . . 82 D HB1 . 53513 1 652 . 1 . 1 82 82 ASP HB3 H 1 2.457 . . 2 . . . . . 82 D HB2 . 53513 1 653 . 1 . 1 82 82 ASP C C 13 174.762 . . 1 . . . . . 82 D C . 53513 1 654 . 1 . 1 82 82 ASP CA C 13 51.297 . . 1 . . . . . 82 D CA . 53513 1 655 . 1 . 1 82 82 ASP CB C 13 41.733 . . 1 . . . . . 82 D CB . 53513 1 656 . 1 . 1 82 82 ASP N N 15 124.995 . . 1 . . . . . 82 D N . 53513 1 657 . 1 . 1 83 83 PRO HA H 1 4.276 . . 1 . . . . . 83 P HA . 53513 1 658 . 1 . 1 83 83 PRO HB2 H 1 2.308 . . 2 . . . . . 83 P HB1 . 53513 1 659 . 1 . 1 83 83 PRO HB3 H 1 1.953 . . 2 . . . . . 83 P HB2 . 53513 1 660 . 1 . 1 83 83 PRO C C 13 177.283 . . 1 . . . . . 83 P C . 53513 1 661 . 1 . 1 83 83 PRO CA C 13 63.642 . . 1 . . . . . 83 P CA . 53513 1 662 . 1 . 1 83 83 PRO CB C 13 32.255 . . 1 . . . . . 83 P CB . 53513 1 663 . 1 . 1 84 84 LEU H H 1 8.333 . . 1 . . . . . 84 L HN . 53513 1 664 . 1 . 1 84 84 LEU HA H 1 4.230 . . 1 . . . . . 84 L HA . 53513 1 665 . 1 . 1 84 84 LEU HB2 H 1 1.714 . . 2 . . . . . 84 L HB1 . 53513 1 666 . 1 . 1 84 84 LEU HB3 H 1 1.499 . . 2 . . . . . 84 L HB2 . 53513 1 667 . 1 . 1 84 84 LEU C C 13 177.768 . . 1 . . . . . 84 L C . 53513 1 668 . 1 . 1 84 84 LEU CA C 13 55.436 . . 1 . . . . . 84 L CA . 53513 1 669 . 1 . 1 84 84 LEU CB C 13 41.419 . . 1 . . . . . 84 L CB . 53513 1 670 . 1 . 1 84 84 LEU N N 15 119.614 . . 1 . . . . . 84 L N . 53513 1 671 . 1 . 1 85 85 LEU H H 1 7.766 . . 1 . . . . . 85 L HN . 53513 1 672 . 1 . 1 85 85 LEU HA H 1 4.296 . . 1 . . . . . 85 L HA . 53513 1 673 . 1 . 1 85 85 LEU HB2 H 1 1.611 . . 2 . . . . . 85 L HB# . 53513 1 674 . 1 . 1 85 85 LEU HB3 H 1 1.611 . . 2 . . . . . 85 L HB# . 53513 1 675 . 1 . 1 85 85 LEU C C 13 177.271 . . 1 . . . . . 85 L C . 53513 1 676 . 1 . 1 85 85 LEU CA C 13 55.055 . . 1 . . . . . 85 L CA . 53513 1 677 . 1 . 1 85 85 LEU CB C 13 42.035 . . 1 . . . . . 85 L CB . 53513 1 678 . 1 . 1 85 85 LEU N N 15 121.344 . . 1 . . . . . 85 L N . 53513 1 679 . 1 . 1 86 86 ARG H H 1 8.165 . . 1 . . . . . 86 R HN . 53513 1 680 . 1 . 1 86 86 ARG HA H 1 4.266 . . 1 . . . . . 86 R HA . 53513 1 681 . 1 . 1 86 86 ARG HB2 H 1 1.828 . . 2 . . . . . 86 R HB1 . 53513 1 682 . 1 . 1 86 86 ARG HB3 H 1 1.748 . . 2 . . . . . 86 R HB2 . 53513 1 683 . 1 . 1 86 86 ARG C C 13 175.970 . . 1 . . . . . 86 R C . 53513 1 684 . 1 . 1 86 86 ARG CA C 13 56.257 . . 1 . . . . . 86 R CA . 53513 1 685 . 1 . 1 86 86 ARG CB C 13 30.875 . . 1 . . . . . 86 R CB . 53513 1 686 . 1 . 1 86 86 ARG N N 15 121.568 . . 1 . . . . . 86 R N . 53513 1 687 . 1 . 1 87 87 ASP H H 1 8.386 . . 1 . . . . . 87 D HN . 53513 1 688 . 1 . 1 87 87 ASP HA H 1 4.598 . . 1 . . . . . 87 D HA . 53513 1 689 . 1 . 1 87 87 ASP HB2 H 1 2.667 . . 2 . . . . . 87 D HB1 . 53513 1 690 . 1 . 1 87 87 ASP HB3 H 1 2.571 . . 2 . . . . . 87 D HB2 . 53513 1 691 . 1 . 1 87 87 ASP C C 13 175.799 . . 1 . . . . . 87 D C . 53513 1 692 . 1 . 1 87 87 ASP CA C 13 54.221 . . 1 . . . . . 87 D CA . 53513 1 693 . 1 . 1 87 87 ASP CB C 13 41.114 . . 1 . . . . . 87 D CB . 53513 1 694 . 1 . 1 87 87 ASP N N 15 120.684 . . 1 . . . . . 87 D N . 53513 1 695 . 1 . 1 88 88 SER H H 1 8.198 . . 1 . . . . . 88 S HN . 53513 1 696 . 1 . 1 88 88 SER HA H 1 4.700 . . 1 . . . . . 88 S HA . 53513 1 697 . 1 . 1 88 88 SER HB2 H 1 3.805 . . 2 . . . . . 88 S HB# . 53513 1 698 . 1 . 1 88 88 SER HB3 H 1 3.805 . . 2 . . . . . 88 S HB# . 53513 1 699 . 1 . 1 88 88 SER C C 13 172.654 . . 1 . . . . . 88 S C . 53513 1 700 . 1 . 1 88 88 SER CA C 13 56.371 . . 1 . . . . . 88 S CA . 53513 1 701 . 1 . 1 88 88 SER CB C 13 63.451 . . 1 . . . . . 88 S CB . 53513 1 702 . 1 . 1 88 88 SER N N 15 116.899 . . 1 . . . . . 88 S N . 53513 1 703 . 1 . 1 89 89 PRO HA H 1 4.428 . . 1 . . . . . 89 P HA . 53513 1 704 . 1 . 1 89 89 PRO HB2 H 1 2.276 . . 2 . . . . . 89 P HB1 . 53513 1 705 . 1 . 1 89 89 PRO HB3 H 1 1.936 . . 2 . . . . . 89 P HB2 . 53513 1 706 . 1 . 1 89 89 PRO C C 13 177.511 . . 1 . . . . . 89 P C . 53513 1 707 . 1 . 1 89 89 PRO CA C 13 63.530 . . 1 . . . . . 89 P CA . 53513 1 708 . 1 . 1 89 89 PRO CB C 13 32.098 . . 1 . . . . . 89 P CB . 53513 1 709 . 1 . 1 90 90 GLY H H 1 8.525 . . 1 . . . . . 90 G HN . 53513 1 710 . 1 . 1 90 90 GLY HA2 H 1 3.891 . . 2 . . . . . 90 G HA1 . 53513 1 711 . 1 . 1 90 90 GLY HA3 H 1 3.894 . . 2 . . . . . 90 G HA2 . 53513 1 712 . 1 . 1 90 90 GLY C C 13 173.261 . . 1 . . . . . 90 G C . 53513 1 713 . 1 . 1 90 90 GLY CA C 13 45.343 . . 1 . . . . . 90 G CA . 53513 1 714 . 1 . 1 90 90 GLY N N 15 109.702 . . 1 . . . . . 90 G N . 53513 1 715 . 1 . 1 91 91 ARG H H 1 7.864 . . 1 . . . . . 91 R HN . 53513 1 716 . 1 . 1 91 91 ARG HA H 1 4.149 . . 1 . . . . . 91 R HA . 53513 1 717 . 1 . 1 91 91 ARG HB2 H 1 1.827 . . 2 . . . . . 91 R HB1 . 53513 1 718 . 1 . 1 91 91 ARG HB3 H 1 1.696 . . 2 . . . . . 91 R HB2 . 53513 1 719 . 1 . 1 91 91 ARG C C 13 181.152 . . 1 . . . . . 91 R C . 53513 1 720 . 1 . 1 91 91 ARG CA C 13 57.309 . . 1 . . . . . 91 R CA . 53513 1 721 . 1 . 1 91 91 ARG CB C 13 31.305 . . 1 . . . . . 91 R CB . 53513 1 722 . 1 . 1 91 91 ARG N N 15 125.642 . . 1 . . . . . 91 R N . 53513 1 stop_ save_