data_27402 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27402 _Entry.Title ; chemical shifts for human Axin DIX domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-02-14 _Entry.Accession_date 2018-02-14 _Entry.Last_release_date 2018-02-15 _Entry.Original_release_date 2018-02-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLID-STATE _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 Meaghan Ward . E. . . 27402 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27402 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 273 27402 '15N chemical shifts' 67 27402 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 . . 2020-10-06 . original BMRB . 27402 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27402 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 29561051 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Investigations of dynamic amyloid-like structures of the Wnt signalling pathway by solid-state NMR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Chem. Comm.' _Citation.Journal_name_full 'Chemical communications (Cambridge, England)' _Citation.Journal_volume 54 _Citation.Journal_issue 32 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1364-548X _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 3959 _Citation.Page_last 3962 _Citation.Year 2018 _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 Meaghan Ward . E. . . 27402 1 2 Mark Daniels . . . . 27402 1 3 Eline 'van Kappel' . C . . 27402 1 4 Madelon Maurice . M. . . 27402 1 5 Marc Baldus . . . . 27402 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Axin 27402 1 'DIX domain' 27402 1 'solid-state NMR' 27402 1 'wnt signalling' 27402 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27402 _Assembly.ID 1 _Assembly.Name 'Axin DIX domain' _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 'Axin DIX domain, unit 1' 1 $human_Axin_DIX_domain A . yes native no no . . . 27402 1 2 'Axin DIX domain, unit 2' 1 $human_Axin_DIX_domain B . yes native no no . . . 27402 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Wnt signalling and puncta formation' 27402 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_human_Axin_DIX_domain _Entity.Sf_category entity _Entity.Sf_framecode human_Axin_DIX_domain _Entity.Entry_ID 27402 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name human_Axin_DIX_domain _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 ; HHHHHENLYFQQPCDSIVVA YYFCGEPIPYRTLVRGRAVT LGQFKELLTKKGSYRYYFKK VSDEFDCGVVFEEVREDEAV LPVFEEKIIGKVEKVD ; _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 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'human Axin DIX domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'The assignment covers residues 778-862. There is a HIS-tag and a TEV cleavage site at the N terminus.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Wnt signalling' 27402 1 stop_ 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 1 767 HIS . 27402 1 2 768 HIS . 27402 1 3 769 HIS . 27402 1 4 770 HIS . 27402 1 5 771 HIS . 27402 1 6 772 GLU . 27402 1 7 773 ASN . 27402 1 8 774 LEU . 27402 1 9 775 TYR . 27402 1 10 776 PHE . 27402 1 11 777 GLN . 27402 1 12 778 GLN . 27402 1 13 779 PRO . 27402 1 14 780 CYS . 27402 1 15 781 ASP . 27402 1 16 782 SER . 27402 1 17 783 ILE . 27402 1 18 784 VAL . 27402 1 19 785 VAL . 27402 1 20 786 ALA . 27402 1 21 787 TYR . 27402 1 22 788 TYR . 27402 1 23 789 PHE . 27402 1 24 790 CYS . 27402 1 25 791 GLY . 27402 1 26 792 GLU . 27402 1 27 793 PRO . 27402 1 28 794 ILE . 27402 1 29 795 PRO . 27402 1 30 796 TYR . 27402 1 31 797 ARG . 27402 1 32 798 THR . 27402 1 33 799 LEU . 27402 1 34 800 VAL . 27402 1 35 801 ARG . 27402 1 36 802 GLY . 27402 1 37 803 ARG . 27402 1 38 804 ALA . 27402 1 39 805 VAL . 27402 1 40 806 THR . 27402 1 41 807 LEU . 27402 1 42 808 GLY . 27402 1 43 809 GLN . 27402 1 44 810 PHE . 27402 1 45 811 LYS . 27402 1 46 812 GLU . 27402 1 47 813 LEU . 27402 1 48 814 LEU . 27402 1 49 815 THR . 27402 1 50 816 LYS . 27402 1 51 817 LYS . 27402 1 52 818 GLY . 27402 1 53 819 SER . 27402 1 54 820 TYR . 27402 1 55 821 ARG . 27402 1 56 822 TYR . 27402 1 57 823 TYR . 27402 1 58 824 PHE . 27402 1 59 825 LYS . 27402 1 60 826 LYS . 27402 1 61 827 VAL . 27402 1 62 828 SER . 27402 1 63 829 ASP . 27402 1 64 830 GLU . 27402 1 65 831 PHE . 27402 1 66 832 ASP . 27402 1 67 833 CYS . 27402 1 68 834 GLY . 27402 1 69 835 VAL . 27402 1 70 836 VAL . 27402 1 71 837 PHE . 27402 1 72 838 GLU . 27402 1 73 839 GLU . 27402 1 74 840 VAL . 27402 1 75 841 ARG . 27402 1 76 842 GLU . 27402 1 77 843 ASP . 27402 1 78 844 GLU . 27402 1 79 845 ALA . 27402 1 80 846 VAL . 27402 1 81 847 LEU . 27402 1 82 848 PRO . 27402 1 83 849 VAL . 27402 1 84 850 PHE . 27402 1 85 851 GLU . 27402 1 86 852 GLU . 27402 1 87 853 LYS . 27402 1 88 854 ILE . 27402 1 89 855 ILE . 27402 1 90 856 GLY . 27402 1 91 857 LYS . 27402 1 92 858 VAL . 27402 1 93 859 GLU . 27402 1 94 860 LYS . 27402 1 95 861 VAL . 27402 1 96 862 ASP . 27402 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 . HIS 1 1 27402 1 . HIS 2 2 27402 1 . HIS 3 3 27402 1 . HIS 4 4 27402 1 . HIS 5 5 27402 1 . GLU 6 6 27402 1 . ASN 7 7 27402 1 . LEU 8 8 27402 1 . TYR 9 9 27402 1 . PHE 10 10 27402 1 . GLN 11 11 27402 1 . GLN 12 12 27402 1 . PRO 13 13 27402 1 . CYS 14 14 27402 1 . ASP 15 15 27402 1 . SER 16 16 27402 1 . ILE 17 17 27402 1 . VAL 18 18 27402 1 . VAL 19 19 27402 1 . ALA 20 20 27402 1 . TYR 21 21 27402 1 . TYR 22 22 27402 1 . PHE 23 23 27402 1 . CYS 24 24 27402 1 . GLY 25 25 27402 1 . GLU 26 26 27402 1 . PRO 27 27 27402 1 . ILE 28 28 27402 1 . PRO 29 29 27402 1 . TYR 30 30 27402 1 . ARG 31 31 27402 1 . THR 32 32 27402 1 . LEU 33 33 27402 1 . VAL 34 34 27402 1 . ARG 35 35 27402 1 . GLY 36 36 27402 1 . ARG 37 37 27402 1 . ALA 38 38 27402 1 . VAL 39 39 27402 1 . THR 40 40 27402 1 . LEU 41 41 27402 1 . GLY 42 42 27402 1 . GLN 43 43 27402 1 . PHE 44 44 27402 1 . LYS 45 45 27402 1 . GLU 46 46 27402 1 . LEU 47 47 27402 1 . LEU 48 48 27402 1 . THR 49 49 27402 1 . LYS 50 50 27402 1 . LYS 51 51 27402 1 . GLY 52 52 27402 1 . SER 53 53 27402 1 . TYR 54 54 27402 1 . ARG 55 55 27402 1 . TYR 56 56 27402 1 . TYR 57 57 27402 1 . PHE 58 58 27402 1 . LYS 59 59 27402 1 . LYS 60 60 27402 1 . VAL 61 61 27402 1 . SER 62 62 27402 1 . ASP 63 63 27402 1 . GLU 64 64 27402 1 . PHE 65 65 27402 1 . ASP 66 66 27402 1 . CYS 67 67 27402 1 . GLY 68 68 27402 1 . VAL 69 69 27402 1 . VAL 70 70 27402 1 . PHE 71 71 27402 1 . GLU 72 72 27402 1 . GLU 73 73 27402 1 . VAL 74 74 27402 1 . ARG 75 75 27402 1 . GLU 76 76 27402 1 . ASP 77 77 27402 1 . GLU 78 78 27402 1 . ALA 79 79 27402 1 . VAL 80 80 27402 1 . LEU 81 81 27402 1 . PRO 82 82 27402 1 . VAL 83 83 27402 1 . PHE 84 84 27402 1 . GLU 85 85 27402 1 . GLU 86 86 27402 1 . LYS 87 87 27402 1 . ILE 88 88 27402 1 . ILE 89 89 27402 1 . GLY 90 90 27402 1 . LYS 91 91 27402 1 . VAL 92 92 27402 1 . GLU 93 93 27402 1 . LYS 94 94 27402 1 . VAL 95 95 27402 1 . ASP 96 96 27402 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 27402 _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 $human_Axin_DIX_domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27402 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 27402 _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 $human_Axin_DIX_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Rosetta2 . . . . . PET24 . . . 27402 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27402 _Sample.ID 1 _Sample.Name . _Sample.Type solid _Sample.Sub_type . _Sample.Details 'purified human Axin DIX domain' _Sample.Aggregate_sample_number . _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 'human Axin DIX domain' '[U-100% 13C; U-100% 15N]' . . 1 $human_Axin_DIX_domain . . solid . . mM 0 . . . 27402 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 27402 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 20 . mM 27402 1 pH 8 . pH 27402 1 pressure 1 . atm 27402 1 temperature 278 2 K 27402 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27402 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27402 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27402 1 . processing 27402 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 27402 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27402 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 27402 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 Bruker Avance . 700 . . . 27402 1 2 spectrometer_2 Bruker Avance . 950 . . . 27402 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 27402 _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 '3D NCACX' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27402 1 2 '3D CANCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27402 1 3 '3D NCOCX' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27402 1 4 '2D CC Spin Diffusion for seqentials' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27402 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 27402 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 carbons' . . . . ppm 40.48 external direct 1.0 'separate tube (no insert) similar to the experimental sample tube' . . . . 27402 1 N 15 DSS 'methyl carbons' . . . . ppm 40.48 external indirect 0.4029799 'separate tube (no insert) similar to the experimental sample tube' . . . . 27402 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 27402 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 '3D NCACX' . . . 27402 1 2 '3D CANCO' . . . 27402 1 3 '3D NCOCX' . . . 27402 1 4 '2D CC Spin Diffusion for seqentials' . . . 27402 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 $TOPSPIN . . 27402 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 16 16 SER CA C 13 57.9 0.3 . 1 . . . . . 782 SER CA . 27402 1 2 . 1 . 1 16 16 SER CB C 13 66.3 0.3 . 1 . . . . . 782 SER CB . 27402 1 3 . 1 . 1 17 17 ILE CA C 13 60.0 0.3 . 1 . . . . . 783 ILE CA . 27402 1 4 . 1 . 1 17 17 ILE CB C 13 42.3 0.3 . 1 . . . . . 783 ILE CB . 27402 1 5 . 1 . 1 17 17 ILE CG1 C 13 28.8 0.3 . 1 . . . . . 783 ILE CG1 . 27402 1 6 . 1 . 1 17 17 ILE CG2 C 13 15.9 0.3 . 1 . . . . . 783 ILE CG2 . 27402 1 7 . 1 . 1 17 17 ILE CD1 C 13 14.5 0.3 . 1 . . . . . 783 ILE CD1 . 27402 1 8 . 1 . 1 17 17 ILE N N 15 122.6 0.3 . 1 . . . . . 783 ILE N . 27402 1 9 . 1 . 1 18 18 VAL C C 13 174.2 0.3 . 1 . . . . . 784 VAL C . 27402 1 10 . 1 . 1 18 18 VAL CA C 13 63.4 0.3 . 1 . . . . . 784 VAL CA . 27402 1 11 . 1 . 1 18 18 VAL CB C 13 32.1 0.3 . 1 . . . . . 784 VAL CB . 27402 1 12 . 1 . 1 18 18 VAL CG1 C 13 22.4 0.3 . 1 . . . . . 784 VAL CG1 . 27402 1 13 . 1 . 1 18 18 VAL CG2 C 13 21.5 0.3 . 1 . . . . . 784 VAL CG2 . 27402 1 14 . 1 . 1 18 18 VAL N N 15 128.2 0.3 . 1 . . . . . 784 VAL N . 27402 1 15 . 1 . 1 19 19 VAL C C 13 173.8 0.3 . 1 . . . . . 785 VAL C . 27402 1 16 . 1 . 1 19 19 VAL CA C 13 60.6 0.3 . 1 . . . . . 785 VAL CA . 27402 1 17 . 1 . 1 19 19 VAL CB C 13 33.9 0.3 . 1 . . . . . 785 VAL CB . 27402 1 18 . 1 . 1 19 19 VAL N N 15 127.6 0.3 . 1 . . . . . 785 VAL N . 27402 1 19 . 1 . 1 20 20 ALA C C 13 176.5 0.3 . 1 . . . . . 786 ALA C . 27402 1 20 . 1 . 1 20 20 ALA CA C 13 49.4 0.3 . 1 . . . . . 786 ALA CA . 27402 1 21 . 1 . 1 20 20 ALA CB C 13 23.2 0.3 . 1 . . . . . 786 ALA CB . 27402 1 22 . 1 . 1 20 20 ALA N N 15 129.8 0.3 . 1 . . . . . 786 ALA N . 27402 1 23 . 1 . 1 21 21 TYR C C 13 172.9 0.3 . 1 . . . . . 787 TYR C . 27402 1 24 . 1 . 1 21 21 TYR CA C 13 55.3 0.3 . 1 . . . . . 787 TYR CA . 27402 1 25 . 1 . 1 21 21 TYR CB C 13 39.5 0.3 . 1 . . . . . 787 TYR CB . 27402 1 26 . 1 . 1 21 21 TYR CZ C 13 157.8 0.3 . 1 . . . . . 787 TYR CZ . 27402 1 27 . 1 . 1 21 21 TYR N N 15 113.5 0.3 . 1 . . . . . 787 TYR N . 27402 1 28 . 1 . 1 22 22 TYR CA C 13 54.7 0.3 . 1 . . . . . 788 TYR CA . 27402 1 29 . 1 . 1 22 22 TYR CB C 13 41.8 0.3 . 1 . . . . . 788 TYR CB . 27402 1 30 . 1 . 1 22 22 TYR N N 15 119.1 0.3 . 1 . . . . . 788 TYR N . 27402 1 31 . 1 . 1 27 27 PRO CA C 13 64.6 0.3 . 1 . . . . . 793 PRO CA . 27402 1 32 . 1 . 1 27 27 PRO CB C 13 32.4 0.3 . 1 . . . . . 793 PRO CB . 27402 1 33 . 1 . 1 27 27 PRO CG C 13 27.4 0.3 . 1 . . . . . 793 PRO CG . 27402 1 34 . 1 . 1 27 27 PRO CD C 13 51.0 0.3 . 1 . . . . . 793 PRO CD . 27402 1 35 . 1 . 1 27 27 PRO N N 15 137.1 0.3 . 1 . . . . . 793 PRO N . 27402 1 36 . 1 . 1 28 28 ILE C C 13 174.9 0.3 . 1 . . . . . 794 ILE C . 27402 1 37 . 1 . 1 28 28 ILE CA C 13 57.9 0.3 . 1 . . . . . 794 ILE CA . 27402 1 38 . 1 . 1 28 28 ILE CB C 13 37.9 0.3 . 1 . . . . . 794 ILE CB . 27402 1 39 . 1 . 1 28 28 ILE CG1 C 13 27.1 0.3 . 1 . . . . . 794 ILE CG1 . 27402 1 40 . 1 . 1 28 28 ILE CG2 C 13 17.3 0.3 . 1 . . . . . 794 ILE CG2 . 27402 1 41 . 1 . 1 28 28 ILE CD1 C 13 12.8 0.3 . 1 . . . . . 794 ILE CD1 . 27402 1 42 . 1 . 1 28 28 ILE N N 15 117.1 0.3 . 1 . . . . . 794 ILE N . 27402 1 43 . 1 . 1 29 29 PRO C C 13 173.9 0.3 . 1 . . . . . 795 PRO C . 27402 1 44 . 1 . 1 29 29 PRO CA C 13 62.1 0.3 . 1 . . . . . 795 PRO CA . 27402 1 45 . 1 . 1 29 29 PRO CB C 13 30.9 0.3 . 1 . . . . . 795 PRO CB . 27402 1 46 . 1 . 1 29 29 PRO CG C 13 25.3 0.3 . 1 . . . . . 795 PRO CG . 27402 1 47 . 1 . 1 29 29 PRO CD C 13 50.9 0.3 . 1 . . . . . 795 PRO CD . 27402 1 48 . 1 . 1 29 29 PRO N N 15 141.1 0.3 . 1 . . . . . 795 PRO N . 27402 1 49 . 1 . 1 30 30 TYR CA C 13 57.2 0.3 . 1 . . . . . 796 TYR CA . 27402 1 50 . 1 . 1 30 30 TYR CB C 13 40.2 0.3 . 1 . . . . . 796 TYR CB . 27402 1 51 . 1 . 1 30 30 TYR N N 15 117.7 0.3 . 1 . . . . . 796 TYR N . 27402 1 52 . 1 . 1 31 31 ARG C C 13 172.6 0.3 . 1 . . . . . 797 ARG C . 27402 1 53 . 1 . 1 31 31 ARG CA C 13 57.5 0.3 . 1 . . . . . 797 ARG CA . 27402 1 54 . 1 . 1 31 31 ARG CG C 13 27.0 0.3 . 1 . . . . . 797 ARG CG . 27402 1 55 . 1 . 1 31 31 ARG N N 15 126.8 0.3 . 1 . . . . . 797 ARG N . 27402 1 56 . 1 . 1 32 32 THR C C 13 171.8 0.3 . 1 . . . . . 798 THR C . 27402 1 57 . 1 . 1 32 32 THR CA C 13 59.8 0.3 . 1 . . . . . 798 THR CA . 27402 1 58 . 1 . 1 32 32 THR CB C 13 69.6 0.3 . 1 . . . . . 798 THR CB . 27402 1 59 . 1 . 1 32 32 THR CG2 C 13 20.5 0.3 . 1 . . . . . 798 THR CG2 . 27402 1 60 . 1 . 1 32 32 THR N N 15 122.7 0.3 . 1 . . . . . 798 THR N . 27402 1 61 . 1 . 1 33 33 LEU C C 13 176.4 0.3 . 1 . . . . . 799 LEU C . 27402 1 62 . 1 . 1 33 33 LEU CA C 13 54.0 0.3 . 1 . . . . . 799 LEU CA . 27402 1 63 . 1 . 1 33 33 LEU CB C 13 45.6 0.3 . 1 . . . . . 799 LEU CB . 27402 1 64 . 1 . 1 33 33 LEU N N 15 124.3 0.3 . 1 . . . . . 799 LEU N . 27402 1 65 . 1 . 1 34 34 VAL C C 13 174.3 0.3 . 1 . . . . . 800 VAL C . 27402 1 66 . 1 . 1 34 34 VAL CA C 13 60.5 0.3 . 1 . . . . . 800 VAL CA . 27402 1 67 . 1 . 1 34 34 VAL CB C 13 34.6 0.3 . 1 . . . . . 800 VAL CB . 27402 1 68 . 1 . 1 34 34 VAL N N 15 124.1 0.3 . 1 . . . . . 800 VAL N . 27402 1 69 . 1 . 1 35 35 ARG C C 13 174.8 0.3 . 1 . . . . . 801 ARG C . 27402 1 70 . 1 . 1 35 35 ARG CA C 13 53.5 0.3 . 1 . . . . . 801 ARG CA . 27402 1 71 . 1 . 1 35 35 ARG N N 15 125.3 0.3 . 1 . . . . . 801 ARG N . 27402 1 72 . 1 . 1 38 38 ALA C C 13 175.1 0.3 . 1 . . . . . 804 ALA C . 27402 1 73 . 1 . 1 38 38 ALA CA C 13 51.1 0.3 . 1 . . . . . 804 ALA CA . 27402 1 74 . 1 . 1 38 38 ALA CB C 13 20.6 0.3 . 1 . . . . . 804 ALA CB . 27402 1 75 . 1 . 1 38 38 ALA N N 15 122.2 0.3 . 1 . . . . . 804 ALA N . 27402 1 76 . 1 . 1 39 39 VAL CA C 13 61.0 0.3 . 1 . . . . . 805 VAL CA . 27402 1 77 . 1 . 1 39 39 VAL CB C 13 34.7 0.3 . 1 . . . . . 805 VAL CB . 27402 1 78 . 1 . 1 39 39 VAL N N 15 123.4 0.3 . 1 . . . . . 805 VAL N . 27402 1 79 . 1 . 1 40 40 THR C C 13 176.9 0.3 . 1 . . . . . 806 THR C . 27402 1 80 . 1 . 1 40 40 THR CA C 13 59.2 0.3 . 1 . . . . . 806 THR CA . 27402 1 81 . 1 . 1 40 40 THR CB C 13 71.5 0.3 . 1 . . . . . 806 THR CB . 27402 1 82 . 1 . 1 40 40 THR CG2 C 13 21.8 0.3 . 1 . . . . . 806 THR CG2 . 27402 1 83 . 1 . 1 40 40 THR N N 15 115.6 0.3 . 1 . . . . . 806 THR N . 27402 1 84 . 1 . 1 41 41 LEU C C 13 179.1 0.3 . 1 . . . . . 807 LEU C . 27402 1 85 . 1 . 1 41 41 LEU CA C 13 58.3 0.3 . 1 . . . . . 807 LEU CA . 27402 1 86 . 1 . 1 41 41 LEU CB C 13 39.5 0.3 . 1 . . . . . 807 LEU CB . 27402 1 87 . 1 . 1 41 41 LEU CD1 C 13 24.8 0.3 . 1 . . . . . 807 LEU CD1 . 27402 1 88 . 1 . 1 41 41 LEU CD2 C 13 22.3 0.3 . 1 . . . . . 807 LEU CD2 . 27402 1 89 . 1 . 1 41 41 LEU N N 15 120.9 0.3 . 1 . . . . . 807 LEU N . 27402 1 90 . 1 . 1 42 42 GLY C C 13 176.7 0.3 . 1 . . . . . 808 GLY C . 27402 1 91 . 1 . 1 42 42 GLY CA C 13 46.8 0.3 . 1 . . . . . 808 GLY CA . 27402 1 92 . 1 . 1 42 42 GLY N N 15 107.5 0.3 . 1 . . . . . 808 GLY N . 27402 1 93 . 1 . 1 43 43 GLN C C 13 179.0 0.3 . 1 . . . . . 809 GLN C . 27402 1 94 . 1 . 1 43 43 GLN CA C 13 58.7 0.3 . 1 . . . . . 809 GLN CA . 27402 1 95 . 1 . 1 43 43 GLN CB C 13 29.7 0.3 . 1 . . . . . 809 GLN CB . 27402 1 96 . 1 . 1 43 43 GLN CG C 13 35.1 0.3 . 1 . . . . . 809 GLN CG . 27402 1 97 . 1 . 1 43 43 GLN CD C 13 180.4 0.3 . 1 . . . . . 809 GLN CD . 27402 1 98 . 1 . 1 43 43 GLN N N 15 120.7 0.3 . 1 . . . . . 809 GLN N . 27402 1 99 . 1 . 1 44 44 PHE C C 13 176.8 0.3 . 1 . . . . . 810 PHE C . 27402 1 100 . 1 . 1 44 44 PHE CA C 13 61.4 0.3 . 1 . . . . . 810 PHE CA . 27402 1 101 . 1 . 1 44 44 PHE CB C 13 39.4 0.3 . 1 . . . . . 810 PHE CB . 27402 1 102 . 1 . 1 44 44 PHE CD1 C 13 131.5 0.3 . 1 . . . . . 810 PHE CG . 27402 1 103 . 1 . 1 44 44 PHE N N 15 122.5 0.3 . 1 . . . . . 810 PHE N . 27402 1 104 . 1 . 1 45 45 LYS C C 13 179.0 0.3 . 1 . . . . . 811 LYS C . 27402 1 105 . 1 . 1 45 45 LYS CA C 13 60.2 0.3 . 1 . . . . . 811 LYS CA . 27402 1 106 . 1 . 1 45 45 LYS CB C 13 32.8 0.3 . 1 . . . . . 811 LYS CB . 27402 1 107 . 1 . 1 45 45 LYS CG C 13 26.3 0.3 . 1 . . . . . 811 LYS CG . 27402 1 108 . 1 . 1 45 45 LYS CD C 13 30.4 0.3 . 1 . . . . . 811 LYS CD . 27402 1 109 . 1 . 1 45 45 LYS CE C 13 41.5 0.3 . 1 . . . . . 811 LYS CE . 27402 1 110 . 1 . 1 45 45 LYS N N 15 117.3 0.3 . 1 . . . . . 811 LYS N . 27402 1 111 . 1 . 1 45 45 LYS NZ N 15 33.3 0.3 . 1 . . . . . 811 LYS NZ . 27402 1 112 . 1 . 1 46 46 GLU C C 13 177.5 0.3 . 1 . . . . . 812 GLU C . 27402 1 113 . 1 . 1 46 46 GLU CA C 13 57.5 0.3 . 1 . . . . . 812 GLU CA . 27402 1 114 . 1 . 1 46 46 GLU CB C 13 29.2 0.3 . 1 . . . . . 812 GLU CB . 27402 1 115 . 1 . 1 46 46 GLU CG C 13 36.2 0.3 . 1 . . . . . 812 GLU CG . 27402 1 116 . 1 . 1 46 46 GLU CD C 13 184.0 0.3 . 1 . . . . . 812 GLU CD . 27402 1 117 . 1 . 1 46 46 GLU N N 15 115.2 0.3 . 1 . . . . . 812 GLU N . 27402 1 118 . 1 . 1 47 47 LEU C C 13 177.8 0.3 . 1 . . . . . 813 LEU C . 27402 1 119 . 1 . 1 47 47 LEU CA C 13 55.2 0.3 . 1 . . . . . 813 LEU CA . 27402 1 120 . 1 . 1 47 47 LEU CB C 13 41.4 0.3 . 1 . . . . . 813 LEU CB . 27402 1 121 . 1 . 1 47 47 LEU CG C 13 25.3 0.3 . 1 . . . . . 813 LEU CG . 27402 1 122 . 1 . 1 47 47 LEU CD1 C 13 22.4 0.3 . 1 . . . . . 813 LEU CD1 . 27402 1 123 . 1 . 1 47 47 LEU N N 15 116.8 0.3 . 1 . . . . . 813 LEU N . 27402 1 124 . 1 . 1 48 48 LEU CA C 13 54.5 0.3 . 1 . . . . . 814 LEU CA . 27402 1 125 . 1 . 1 48 48 LEU CG C 13 26.3 0.3 . 1 . . . . . 814 LEU CG . 27402 1 126 . 1 . 1 48 48 LEU N N 15 117.9 0.3 . 1 . . . . . 814 LEU N . 27402 1 127 . 1 . 1 49 49 THR CA C 13 62.8 0.3 . 1 . . . . . 815 THR CA . 27402 1 128 . 1 . 1 49 49 THR CB C 13 67.8 0.3 . 1 . . . . . 815 THR CB . 27402 1 129 . 1 . 1 49 49 THR CG2 C 13 22.0 0.3 . 1 . . . . . 815 THR CG2 . 27402 1 130 . 1 . 1 52 52 GLY C C 13 171.2 0.3 . 1 . . . . . 818 GLY C . 27402 1 131 . 1 . 1 52 52 GLY CA C 13 44.8 0.3 . 1 . . . . . 818 GLY CA . 27402 1 132 . 1 . 1 52 52 GLY N N 15 110.0 0.3 . 1 . . . . . 818 GLY N . 27402 1 133 . 1 . 1 53 53 SER C C 13 172.6 0.3 . 1 . . . . . 819 SER C . 27402 1 134 . 1 . 1 53 53 SER CA C 13 56.7 0.3 . 1 . . . . . 819 SER CA . 27402 1 135 . 1 . 1 53 53 SER CB C 13 62.6 0.3 . 1 . . . . . 819 SER CB . 27402 1 136 . 1 . 1 53 53 SER N N 15 116.5 0.3 . 1 . . . . . 819 SER N . 27402 1 137 . 1 . 1 54 54 TYR C C 13 175.4 0.3 . 1 . . . . . 820 TYR C . 27402 1 138 . 1 . 1 54 54 TYR CA C 13 54.7 0.3 . 1 . . . . . 820 TYR CA . 27402 1 139 . 1 . 1 54 54 TYR CB C 13 41.4 0.3 . 1 . . . . . 820 TYR CB . 27402 1 140 . 1 . 1 54 54 TYR CG C 13 133.1 0.3 . 1 . . . . . 820 TYR CG . 27402 1 141 . 1 . 1 54 54 TYR N N 15 123.8 0.3 . 1 . . . . . 820 TYR N . 27402 1 142 . 1 . 1 55 55 ARG C C 13 173.6 0.3 . 1 . . . . . 821 ARG C . 27402 1 143 . 1 . 1 55 55 ARG CA C 13 55.0 0.3 . 1 . . . . . 821 ARG CA . 27402 1 144 . 1 . 1 55 55 ARG CB C 13 33.2 0.3 . 1 . . . . . 821 ARG CB . 27402 1 145 . 1 . 1 55 55 ARG CG C 13 27.2 0.3 . 1 . . . . . 821 ARG CG . 27402 1 146 . 1 . 1 55 55 ARG N N 15 119.1 0.3 . 1 . . . . . 821 ARG N . 27402 1 147 . 1 . 1 56 56 TYR CA C 13 56.6 0.3 . 1 . . . . . 822 TYR CA . 27402 1 148 . 1 . 1 56 56 TYR CB C 13 41.0 0.3 . 1 . . . . . 822 TYR CB . 27402 1 149 . 1 . 1 56 56 TYR CE1 C 13 117.8 0.3 . 1 . . . . . 822 TYR CE1 . 27402 1 150 . 1 . 1 56 56 TYR CE2 C 13 116.8 0.3 . 1 . . . . . 822 TYR CE2 . 27402 1 151 . 1 . 1 56 56 TYR CZ C 13 157.4 0.3 . 1 . . . . . 822 TYR CZ . 27402 1 152 . 1 . 1 56 56 TYR N N 15 119.5 0.3 . 1 . . . . . 822 TYR N . 27402 1 153 . 1 . 1 57 57 TYR C C 13 174.6 0.3 . 1 . . . . . 823 TYR C . 27402 1 154 . 1 . 1 57 57 TYR CA C 13 55.1 0.3 . 1 . . . . . 823 TYR CA . 27402 1 155 . 1 . 1 57 57 TYR CB C 13 41.5 0.3 . 1 . . . . . 823 TYR CB . 27402 1 156 . 1 . 1 57 57 TYR N N 15 119.4 0.3 . 1 . . . . . 823 TYR N . 27402 1 157 . 1 . 1 58 58 PHE C C 13 174.7 0.3 . 1 . . . . . 824 PHE C . 27402 1 158 . 1 . 1 58 58 PHE CA C 13 57.1 0.3 . 1 . . . . . 824 PHE CA . 27402 1 159 . 1 . 1 58 58 PHE CB C 13 43.2 0.3 . 1 . . . . . 824 PHE CB . 27402 1 160 . 1 . 1 58 58 PHE CD1 C 13 131.0 0.3 . 1 . . . . . 824 PHE CD1 . 27402 1 161 . 1 . 1 58 58 PHE N N 15 118.1 0.3 . 1 . . . . . 824 PHE N . 27402 1 162 . 1 . 1 59 59 LYS C C 13 174.9 0.3 . 1 . . . . . 825 LYS C . 27402 1 163 . 1 . 1 59 59 LYS CA C 13 57.6 0.3 . 1 . . . . . 825 LYS CA . 27402 1 164 . 1 . 1 59 59 LYS CB C 13 34.0 0.3 . 1 . . . . . 825 LYS CB . 27402 1 165 . 1 . 1 59 59 LYS CD C 13 30.5 0.3 . 1 . . . . . 825 LYS CD . 27402 1 166 . 1 . 1 59 59 LYS CE C 13 41.8 0.3 . 1 . . . . . 825 LYS CE . 27402 1 167 . 1 . 1 59 59 LYS N N 15 125.4 0.3 . 1 . . . . . 825 LYS N . 27402 1 168 . 1 . 1 60 60 LYS C C 13 175.1 0.3 . 1 . . . . . 826 LYS C . 27402 1 169 . 1 . 1 60 60 LYS CA C 13 54.6 0.3 . 1 . . . . . 826 LYS CA . 27402 1 170 . 1 . 1 60 60 LYS CB C 13 37.0 0.3 . 1 . . . . . 826 LYS CB . 27402 1 171 . 1 . 1 60 60 LYS CG C 13 23.8 0.3 . 1 . . . . . 826 LYS CG . 27402 1 172 . 1 . 1 60 60 LYS CD C 13 30.1 0.3 . 1 . . . . . 826 LYS CD . 27402 1 173 . 1 . 1 60 60 LYS CE C 13 42.0 0.3 . 1 . . . . . 826 LYS CE . 27402 1 174 . 1 . 1 60 60 LYS N N 15 121.3 0.3 . 1 . . . . . 826 LYS N . 27402 1 175 . 1 . 1 61 61 VAL C C 13 176.4 0.3 . 1 . . . . . 827 VAL C . 27402 1 176 . 1 . 1 61 61 VAL CA C 13 63.8 0.3 . 1 . . . . . 827 VAL CA . 27402 1 177 . 1 . 1 61 61 VAL CB C 13 32.0 0.3 . 1 . . . . . 827 VAL CB . 27402 1 178 . 1 . 1 61 61 VAL CG1 C 13 22.5 0.3 . 1 . . . . . 827 VAL CG1 . 27402 1 179 . 1 . 1 61 61 VAL CG2 C 13 21.4 0.3 . 1 . . . . . 827 VAL CG2 . 27402 1 180 . 1 . 1 61 61 VAL N N 15 124.4 0.3 . 1 . . . . . 827 VAL N . 27402 1 181 . 1 . 1 62 62 SER C C 13 174.1 0.3 . 1 . . . . . 828 SER C . 27402 1 182 . 1 . 1 62 62 SER CA C 13 57.5 0.3 . 1 . . . . . 828 SER CA . 27402 1 183 . 1 . 1 62 62 SER CB C 13 65.6 0.3 . 1 . . . . . 828 SER CB . 27402 1 184 . 1 . 1 62 62 SER N N 15 119.0 0.3 . 1 . . . . . 828 SER N . 27402 1 185 . 1 . 1 63 63 ASP C C 13 176.3 0.3 . 1 . . . . . 829 ASP C . 27402 1 186 . 1 . 1 63 63 ASP CA C 13 53.6 0.3 . 1 . . . . . 829 ASP CA . 27402 1 187 . 1 . 1 63 63 ASP CB C 13 40.5 0.3 . 1 . . . . . 829 ASP CB . 27402 1 188 . 1 . 1 63 63 ASP CG C 13 180.5 0.3 . 1 . . . . . 829 ASP CG . 27402 1 189 . 1 . 1 63 63 ASP N N 15 125.5 0.3 . 1 . . . . . 829 ASP N . 27402 1 190 . 1 . 1 68 68 GLY C C 13 174.2 0.3 . 1 . . . . . 834 GLY C . 27402 1 191 . 1 . 1 68 68 GLY CA C 13 47.0 0.3 . 1 . . . . . 834 GLY CA . 27402 1 192 . 1 . 1 68 68 GLY N N 15 110.0 0.3 . 1 . . . . . 834 GLY N . 27402 1 193 . 1 . 1 69 69 VAL C C 13 171.4 0.3 . 1 . . . . . 835 VAL C . 27402 1 194 . 1 . 1 69 69 VAL CA C 13 59.3 0.3 . 1 . . . . . 835 VAL CA . 27402 1 195 . 1 . 1 69 69 VAL CB C 13 35.5 0.3 . 1 . . . . . 835 VAL CB . 27402 1 196 . 1 . 1 69 69 VAL CG1 C 13 21.8 0.3 . 1 . . . . . 835 VAL CG1 . 27402 1 197 . 1 . 1 69 69 VAL N N 15 119.5 0.3 . 1 . . . . . 835 VAL N . 27402 1 198 . 1 . 1 70 70 VAL C C 13 173.3 0.3 . 1 . . . . . 836 VAL C . 27402 1 199 . 1 . 1 70 70 VAL CA C 13 58.4 0.3 . 1 . . . . . 836 VAL CA . 27402 1 200 . 1 . 1 70 70 VAL CB C 13 35.9 0.3 . 1 . . . . . 836 VAL CB . 27402 1 201 . 1 . 1 70 70 VAL CG1 C 13 21.5 0.3 . 1 . . . . . 836 VAL CG1 . 27402 1 202 . 1 . 1 70 70 VAL CG2 C 13 19.9 0.3 . 1 . . . . . 836 VAL CG2 . 27402 1 203 . 1 . 1 70 70 VAL N N 15 114.6 0.3 . 1 . . . . . 836 VAL N . 27402 1 204 . 1 . 1 71 71 PHE C C 13 175.0 0.3 . 1 . . . . . 837 PHE C . 27402 1 205 . 1 . 1 71 71 PHE CA C 13 58.4 0.3 . 1 . . . . . 837 PHE CA . 27402 1 206 . 1 . 1 71 71 PHE CB C 13 39.3 0.3 . 1 . . . . . 837 PHE CB . 27402 1 207 . 1 . 1 71 71 PHE CG C 13 141.7 0.3 . 1 . . . . . 837 PHE CG . 27402 1 208 . 1 . 1 71 71 PHE N N 15 122.3 0.3 . 1 . . . . . 837 PHE N . 27402 1 209 . 1 . 1 72 72 GLU C C 13 176.8 0.3 . 1 . . . . . 838 GLU C . 27402 1 210 . 1 . 1 72 72 GLU CA C 13 54.9 0.3 . 1 . . . . . 838 GLU CA . 27402 1 211 . 1 . 1 72 72 GLU CB C 13 32.2 0.3 . 1 . . . . . 838 GLU CB . 27402 1 212 . 1 . 1 72 72 GLU CG C 13 36.4 0.3 . 1 . . . . . 838 GLU CG . 27402 1 213 . 1 . 1 72 72 GLU CD C 13 183.6 0.3 . 1 . . . . . 838 GLU CD . 27402 1 214 . 1 . 1 72 72 GLU N N 15 126.4 0.3 . 1 . . . . . 838 GLU N . 27402 1 215 . 1 . 1 73 73 GLU C C 13 176.8 0.3 . 1 . . . . . 839 GLU C . 27402 1 216 . 1 . 1 73 73 GLU CA C 13 56.5 0.3 . 1 . . . . . 839 GLU CA . 27402 1 217 . 1 . 1 73 73 GLU CB C 13 28.3 0.3 . 1 . . . . . 839 GLU CB . 27402 1 218 . 1 . 1 73 73 GLU CG C 13 36.9 0.3 . 1 . . . . . 839 GLU CG . 27402 1 219 . 1 . 1 73 73 GLU CD C 13 183.3 0.3 . 1 . . . . . 839 GLU CD . 27402 1 220 . 1 . 1 73 73 GLU N N 15 129.4 0.3 . 1 . . . . . 839 GLU N . 27402 1 221 . 1 . 1 74 74 VAL C C 13 175.0 0.3 . 1 . . . . . 840 VAL C . 27402 1 222 . 1 . 1 74 74 VAL CA C 13 62.1 0.3 . 1 . . . . . 840 VAL CA . 27402 1 223 . 1 . 1 74 74 VAL CB C 13 34.4 0.3 . 1 . . . . . 840 VAL CB . 27402 1 224 . 1 . 1 74 74 VAL CG1 C 13 22.7 0.3 . 1 . . . . . 840 VAL CG1 . 27402 1 225 . 1 . 1 74 74 VAL CG2 C 13 21.6 0.3 . 1 . . . . . 840 VAL CG2 . 27402 1 226 . 1 . 1 74 74 VAL N N 15 128.7 0.3 . 1 . . . . . 840 VAL N . 27402 1 227 . 1 . 1 75 75 ARG C C 13 175.9 0.3 . 1 . . . . . 841 ARG C . 27402 1 228 . 1 . 1 75 75 ARG CA C 13 56.5 0.3 . 1 . . . . . 841 ARG CA . 27402 1 229 . 1 . 1 75 75 ARG CB C 13 34.2 0.3 . 1 . . . . . 841 ARG CB . 27402 1 230 . 1 . 1 75 75 ARG CG C 13 27.5 0.3 . 1 . . . . . 841 ARG CG . 27402 1 231 . 1 . 1 75 75 ARG CD C 13 43.5 0.3 . 1 . . . . . 841 ARG CD . 27402 1 232 . 1 . 1 75 75 ARG CZ C 13 159.7 0.3 . 1 . . . . . 841 ARG CZ . 27402 1 233 . 1 . 1 75 75 ARG N N 15 123.6 0.3 . 1 . . . . . 841 ARG N . 27402 1 234 . 1 . 1 76 76 GLU C C 13 176.1 0.3 . 1 . . . . . 842 GLU C . 27402 1 235 . 1 . 1 76 76 GLU CA C 13 55.5 0.3 . 1 . . . . . 842 GLU CA . 27402 1 236 . 1 . 1 76 76 GLU CB C 13 30.0 0.3 . 1 . . . . . 842 GLU CB . 27402 1 237 . 1 . 1 76 76 GLU CG C 13 35.9 0.3 . 1 . . . . . 842 GLU CG . 27402 1 238 . 1 . 1 76 76 GLU CD C 13 183.6 0.3 . 1 . . . . . 842 GLU CD . 27402 1 239 . 1 . 1 76 76 GLU N N 15 120.6 0.3 . 1 . . . . . 842 GLU N . 27402 1 240 . 1 . 1 77 77 ASP C C 13 177.8 0.3 . 1 . . . . . 843 ASP C . 27402 1 241 . 1 . 1 77 77 ASP CA C 13 57.0 0.3 . 1 . . . . . 843 ASP CA . 27402 1 242 . 1 . 1 77 77 ASP CB C 13 40.1 0.3 . 1 . . . . . 843 ASP CB . 27402 1 243 . 1 . 1 77 77 ASP CG C 13 178.7 0.3 . 1 . . . . . 843 ASP CG . 27402 1 244 . 1 . 1 77 77 ASP N N 15 124.4 0.3 . 1 . . . . . 843 ASP N . 27402 1 245 . 1 . 1 78 78 GLU C C 13 176.2 0.3 . 1 . . . . . 844 GLU C . 27402 1 246 . 1 . 1 78 78 GLU CA C 13 56.3 0.3 . 1 . . . . . 844 GLU CA . 27402 1 247 . 1 . 1 78 78 GLU CB C 13 28.9 0.3 . 1 . . . . . 844 GLU CB . 27402 1 248 . 1 . 1 78 78 GLU CG C 13 36.0 0.3 . 1 . . . . . 844 GLU CG . 27402 1 249 . 1 . 1 78 78 GLU N N 15 114.4 0.3 . 1 . . . . . 844 GLU N . 27402 1 250 . 1 . 1 79 79 ALA C C 13 176.5 0.3 . 1 . . . . . 845 ALA C . 27402 1 251 . 1 . 1 79 79 ALA CA C 13 52.5 0.3 . 1 . . . . . 845 ALA CA . 27402 1 252 . 1 . 1 79 79 ALA CB C 13 19.4 0.3 . 1 . . . . . 845 ALA CB . 27402 1 253 . 1 . 1 79 79 ALA N N 15 123.8 0.3 . 1 . . . . . 845 ALA N . 27402 1 254 . 1 . 1 80 80 VAL C C 13 177.0 0.3 . 1 . . . . . 846 VAL C . 27402 1 255 . 1 . 1 80 80 VAL CA C 13 62.6 0.3 . 1 . . . . . 846 VAL CA . 27402 1 256 . 1 . 1 80 80 VAL CB C 13 31.7 0.3 . 1 . . . . . 846 VAL CB . 27402 1 257 . 1 . 1 80 80 VAL N N 15 121.6 0.3 . 1 . . . . . 846 VAL N . 27402 1 258 . 1 . 1 81 81 LEU C C 13 174.5 0.3 . 1 . . . . . 847 LEU C . 27402 1 259 . 1 . 1 81 81 LEU CA C 13 52.7 0.3 . 1 . . . . . 847 LEU CA . 27402 1 260 . 1 . 1 81 81 LEU CB C 13 38.7 0.3 . 1 . . . . . 847 LEU CB . 27402 1 261 . 1 . 1 81 81 LEU CG C 13 25.7 0.3 . 1 . . . . . 847 LEU CG . 27402 1 262 . 1 . 1 81 81 LEU CD1 C 13 22.1 0.3 . 1 . . . . . 847 LEU CD1 . 27402 1 263 . 1 . 1 81 81 LEU N N 15 128.4 0.3 . 1 . . . . . 847 LEU N . 27402 1 264 . 1 . 1 82 82 PRO CA C 13 62.3 0.3 . 1 . . . . . 848 PRO CA . 27402 1 265 . 1 . 1 82 82 PRO CB C 13 32.2 0.3 . 1 . . . . . 848 PRO CB . 27402 1 266 . 1 . 1 82 82 PRO CG C 13 27.5 0.3 . 1 . . . . . 848 PRO CG . 27402 1 267 . 1 . 1 82 82 PRO CD C 13 49.5 0.3 . 1 . . . . . 848 PRO CD . 27402 1 268 . 1 . 1 82 82 PRO N N 15 134.6 0.3 . 1 . . . . . 848 PRO N . 27402 1 269 . 1 . 1 83 83 VAL C C 13 175.6 0.3 . 1 . . . . . 849 VAL C . 27402 1 270 . 1 . 1 83 83 VAL CA C 13 60.6 0.3 . 1 . . . . . 849 VAL CA . 27402 1 271 . 1 . 1 83 83 VAL CB C 13 33.8 0.3 . 1 . . . . . 849 VAL CB . 27402 1 272 . 1 . 1 83 83 VAL N N 15 118.4 0.3 . 1 . . . . . 849 VAL N . 27402 1 273 . 1 . 1 84 84 PHE C C 13 173.7 0.3 . 1 . . . . . 850 PHE C . 27402 1 274 . 1 . 1 84 84 PHE CA C 13 57.7 0.3 . 1 . . . . . 850 PHE CA . 27402 1 275 . 1 . 1 84 84 PHE CB C 13 42.1 0.3 . 1 . . . . . 850 PHE CB . 27402 1 276 . 1 . 1 84 84 PHE CG C 13 138.7 0.3 . 1 . . . . . 850 PHE CG . 27402 1 277 . 1 . 1 84 84 PHE CE1 C 13 131.9 0.3 . 1 . . . . . 850 PHE CE1 . 27402 1 278 . 1 . 1 84 84 PHE N N 15 130.9 0.3 . 1 . . . . . 850 PHE N . 27402 1 279 . 1 . 1 85 85 GLU C C 13 176.0 0.3 . 1 . . . . . 851 GLU C . 27402 1 280 . 1 . 1 85 85 GLU CA C 13 57.1 0.3 . 1 . . . . . 851 GLU CA . 27402 1 281 . 1 . 1 85 85 GLU CB C 13 26.3 0.3 . 1 . . . . . 851 GLU CB . 27402 1 282 . 1 . 1 85 85 GLU CG C 13 36.0 0.3 . 1 . . . . . 851 GLU CG . 27402 1 283 . 1 . 1 85 85 GLU CD C 13 184.5 0.3 . 1 . . . . . 851 GLU CD . 27402 1 284 . 1 . 1 85 85 GLU N N 15 125.8 0.3 . 1 . . . . . 851 GLU N . 27402 1 285 . 1 . 1 86 86 GLU C C 13 174.8 0.3 . 1 . . . . . 852 GLU C . 27402 1 286 . 1 . 1 86 86 GLU CA C 13 58.2 0.3 . 1 . . . . . 852 GLU CA . 27402 1 287 . 1 . 1 86 86 GLU CB C 13 27.8 0.3 . 1 . . . . . 852 GLU CB . 27402 1 288 . 1 . 1 86 86 GLU CG C 13 36.8 0.3 . 1 . . . . . 852 GLU CG . 27402 1 289 . 1 . 1 86 86 GLU CD C 13 184.9 0.3 . 1 . . . . . 852 GLU CD . 27402 1 290 . 1 . 1 86 86 GLU N N 15 106.8 0.3 . 1 . . . . . 852 GLU N . 27402 1 291 . 1 . 1 87 87 LYS C C 13 173.3 0.3 . 1 . . . . . 853 LYS C . 27402 1 292 . 1 . 1 87 87 LYS CA C 13 55.3 0.3 . 1 . . . . . 853 LYS CA . 27402 1 293 . 1 . 1 87 87 LYS CB C 13 36.4 0.3 . 1 . . . . . 853 LYS CB . 27402 1 294 . 1 . 1 87 87 LYS CG C 13 24.0 0.3 . 1 . . . . . 853 LYS CG . 27402 1 295 . 1 . 1 87 87 LYS CD C 13 27.9 0.3 . 1 . . . . . 853 LYS CD . 27402 1 296 . 1 . 1 87 87 LYS N N 15 120.6 0.3 . 1 . . . . . 853 LYS N . 27402 1 297 . 1 . 1 88 88 ILE C C 13 175.3 0.3 . 1 . . . . . 854 ILE C . 27402 1 298 . 1 . 1 88 88 ILE CA C 13 60.7 0.3 . 1 . . . . . 854 ILE CA . 27402 1 299 . 1 . 1 88 88 ILE CB C 13 39.2 0.3 . 1 . . . . . 854 ILE CB . 27402 1 300 . 1 . 1 88 88 ILE CG1 C 13 27.6 0.3 . 1 . . . . . 854 ILE CG1 . 27402 1 301 . 1 . 1 88 88 ILE CG2 C 13 18.4 0.3 . 1 . . . . . 854 ILE CG2 . 27402 1 302 . 1 . 1 88 88 ILE CD1 C 13 14.2 0.3 . 1 . . . . . 854 ILE CD1 . 27402 1 303 . 1 . 1 88 88 ILE N N 15 120.7 0.3 . 1 . . . . . 854 ILE N . 27402 1 304 . 1 . 1 89 89 ILE C C 13 175.4 0.3 . 1 . . . . . 855 ILE C . 27402 1 305 . 1 . 1 89 89 ILE CA C 13 58.9 0.3 . 1 . . . . . 855 ILE CA . 27402 1 306 . 1 . 1 89 89 ILE CB C 13 39.6 0.3 . 1 . . . . . 855 ILE CB . 27402 1 307 . 1 . 1 89 89 ILE CG1 C 13 26.9 0.3 . 1 . . . . . 855 ILE CG1 . 27402 1 308 . 1 . 1 89 89 ILE CG2 C 13 17.4 0.3 . 1 . . . . . 855 ILE CG2 . 27402 1 309 . 1 . 1 89 89 ILE CD1 C 13 13.6 0.3 . 1 . . . . . 855 ILE CD1 . 27402 1 310 . 1 . 1 89 89 ILE N N 15 127.5 0.3 . 1 . . . . . 855 ILE N . 27402 1 311 . 1 . 1 90 90 GLY C C 13 172.7 0.3 . 1 . . . . . 856 GLY C . 27402 1 312 . 1 . 1 90 90 GLY CA C 13 44.9 0.3 . 1 . . . . . 856 GLY CA . 27402 1 313 . 1 . 1 90 90 GLY N N 15 111.6 0.3 . 1 . . . . . 856 GLY N . 27402 1 314 . 1 . 1 91 91 LYS C C 13 173.6 0.3 . 1 . . . . . 857 LYS C . 27402 1 315 . 1 . 1 91 91 LYS CA C 13 56.4 0.3 . 1 . . . . . 857 LYS CA . 27402 1 316 . 1 . 1 91 91 LYS CB C 13 35.9 0.3 . 1 . . . . . 857 LYS CB . 27402 1 317 . 1 . 1 91 91 LYS CD C 13 29.3 0.3 . 1 . . . . . 857 LYS CD . 27402 1 318 . 1 . 1 91 91 LYS CE C 13 41.3 0.3 . 1 . . . . . 857 LYS CE . 27402 1 319 . 1 . 1 91 91 LYS N N 15 119.9 0.3 . 1 . . . . . 857 LYS N . 27402 1 320 . 1 . 1 92 92 VAL C C 13 175.4 0.3 . 1 . . . . . 858 VAL C . 27402 1 321 . 1 . 1 92 92 VAL CA C 13 60.9 0.3 . 1 . . . . . 858 VAL CA . 27402 1 322 . 1 . 1 92 92 VAL CB C 13 34.0 0.3 . 1 . . . . . 858 VAL CB . 27402 1 323 . 1 . 1 92 92 VAL N N 15 124.4 0.3 . 1 . . . . . 858 VAL N . 27402 1 324 . 1 . 1 93 93 GLU C C 13 174.8 0.3 . 1 . . . . . 859 GLU C . 27402 1 325 . 1 . 1 93 93 GLU CA C 13 53.7 0.3 . 1 . . . . . 859 GLU CA . 27402 1 326 . 1 . 1 93 93 GLU CB C 13 33.2 0.3 . 1 . . . . . 859 GLU CB . 27402 1 327 . 1 . 1 93 93 GLU CD C 13 180.5 0.3 . 1 . . . . . 859 GLU CD . 27402 1 328 . 1 . 1 93 93 GLU N N 15 125.7 0.3 . 1 . . . . . 859 GLU N . 27402 1 329 . 1 . 1 94 94 LYS C C 13 176.1 0.3 . 1 . . . . . 860 LYS C . 27402 1 330 . 1 . 1 94 94 LYS CA C 13 56.6 0.3 . 1 . . . . . 860 LYS CA . 27402 1 331 . 1 . 1 94 94 LYS CB C 13 33.8 0.3 . 1 . . . . . 860 LYS CB . 27402 1 332 . 1 . 1 94 94 LYS CG C 13 25.0 0.3 . 1 . . . . . 860 LYS CG . 27402 1 333 . 1 . 1 94 94 LYS CD C 13 29.0 0.3 . 1 . . . . . 860 LYS CD . 27402 1 334 . 1 . 1 94 94 LYS CE C 13 41.8 0.3 . 1 . . . . . 860 LYS CE . 27402 1 335 . 1 . 1 94 94 LYS N N 15 123.6 0.3 . 1 . . . . . 860 LYS N . 27402 1 336 . 1 . 1 95 95 VAL C C 13 175.0 0.3 . 1 . . . . . 861 VAL C . 27402 1 337 . 1 . 1 95 95 VAL CA C 13 62.3 0.3 . 1 . . . . . 861 VAL CA . 27402 1 338 . 1 . 1 95 95 VAL CB C 13 32.2 0.3 . 1 . . . . . 861 VAL CB . 27402 1 339 . 1 . 1 95 95 VAL CG1 C 13 20.9 0.3 . 1 . . . . . 861 VAL CG1 . 27402 1 340 . 1 . 1 95 95 VAL N N 15 123.5 0.3 . 1 . . . . . 861 VAL N . 27402 1 stop_ save_