data_26948 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26948 _Entry.Title ; Backbone chemical shift assignment of RNA recognition domain 2 of SART3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-11-21 _Entry.Accession_date 2016-11-21 _Entry.Last_release_date 2016-11-21 _Entry.Original_release_date 2016-11-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 Nak-Kyoon Kim . . . . 26948 2 Won-Je Kim . . . . 26948 3 Kyeong-Mi Bang . . . . 26948 4 JiYeon Shin . . . . 26948 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26948 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 151 26948 '15N chemical shifts' 74 26948 '1H chemical shifts' 153 26948 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 . . 2018-03-26 . original BMRB . 26948 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 26948 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Structural Characterization of RNA Recognition Motif-2 Domain of SART3 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Bull. Korean. Chem. Soc.' _Citation.Journal_name_full 'Bulletin of the Korean Chemical Society' _Citation.Journal_volume 38 _Citation.Journal_issue 4 _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 444 _Citation.Page_last 447 _Citation.Year 2017 _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 Kyeong-Mi Bang . . . . 26948 1 2 'Na Youn' Cho . . . . 26948 1 3 Won-Je Kim . . . . 26948 1 4 Ae-Ryung Kim . . . . 26948 1 5 'Hyun Kyu' Song . . . . 26948 1 6 Eunice Kim . E. . . 26948 1 7 Nak-Kyoon Kim . . . . 26948 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26948 _Assembly.ID 1 _Assembly.Name 'SART3 RRM2' _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 8682 _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 'SART3 RRM2' 1 $SART3_RRM2 A . yes native no no . . . 26948 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'One of the U6 snRNA binding domains of human SART3.' 26948 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SART3_RRM2 _Entity.Sf_category entity _Entity.Sf_framecode SART3_RRM2 _Entity.Entry_ID 26948 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SART3_RRM2 _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 ; KHKLFISGLPFSCTKEELEE ICKAHGTVKDLRLVTNRAGK PKGLAYVEYENESQASQAVM KMDGMTIKENIIKVAISN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details '78 residues' _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 78 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8682 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 'One of the U6 snRNA binding domains of human SART3.' 26948 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 1 800 LYS . 26948 1 2 801 HIS . 26948 1 3 802 LYS . 26948 1 4 803 LEU . 26948 1 5 804 PHE . 26948 1 6 805 ILE . 26948 1 7 806 SER . 26948 1 8 807 GLY . 26948 1 9 808 LEU . 26948 1 10 809 PRO . 26948 1 11 810 PHE . 26948 1 12 811 SER . 26948 1 13 812 CYS . 26948 1 14 813 THR . 26948 1 15 814 LYS . 26948 1 16 815 GLU . 26948 1 17 816 GLU . 26948 1 18 817 LEU . 26948 1 19 818 GLU . 26948 1 20 819 GLU . 26948 1 21 820 ILE . 26948 1 22 821 CYS . 26948 1 23 822 LYS . 26948 1 24 823 ALA . 26948 1 25 824 HIS . 26948 1 26 825 GLY . 26948 1 27 826 THR . 26948 1 28 827 VAL . 26948 1 29 828 LYS . 26948 1 30 829 ASP . 26948 1 31 830 LEU . 26948 1 32 831 ARG . 26948 1 33 832 LEU . 26948 1 34 833 VAL . 26948 1 35 834 THR . 26948 1 36 835 ASN . 26948 1 37 836 ARG . 26948 1 38 837 ALA . 26948 1 39 838 GLY . 26948 1 40 839 LYS . 26948 1 41 840 PRO . 26948 1 42 841 LYS . 26948 1 43 842 GLY . 26948 1 44 843 LEU . 26948 1 45 844 ALA . 26948 1 46 845 TYR . 26948 1 47 846 VAL . 26948 1 48 847 GLU . 26948 1 49 848 TYR . 26948 1 50 849 GLU . 26948 1 51 850 ASN . 26948 1 52 851 GLU . 26948 1 53 852 SER . 26948 1 54 853 GLN . 26948 1 55 854 ALA . 26948 1 56 855 SER . 26948 1 57 856 GLN . 26948 1 58 857 ALA . 26948 1 59 858 VAL . 26948 1 60 859 MET . 26948 1 61 860 LYS . 26948 1 62 861 MET . 26948 1 63 862 ASP . 26948 1 64 863 GLY . 26948 1 65 864 MET . 26948 1 66 865 THR . 26948 1 67 866 ILE . 26948 1 68 867 LYS . 26948 1 69 868 GLU . 26948 1 70 869 ASN . 26948 1 71 870 ILE . 26948 1 72 871 ILE . 26948 1 73 872 LYS . 26948 1 74 873 VAL . 26948 1 75 874 ALA . 26948 1 76 875 ILE . 26948 1 77 876 SER . 26948 1 78 877 ASN . 26948 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . LYS 1 1 26948 1 . HIS 2 2 26948 1 . LYS 3 3 26948 1 . LEU 4 4 26948 1 . PHE 5 5 26948 1 . ILE 6 6 26948 1 . SER 7 7 26948 1 . GLY 8 8 26948 1 . LEU 9 9 26948 1 . PRO 10 10 26948 1 . PHE 11 11 26948 1 . SER 12 12 26948 1 . CYS 13 13 26948 1 . THR 14 14 26948 1 . LYS 15 15 26948 1 . GLU 16 16 26948 1 . GLU 17 17 26948 1 . LEU 18 18 26948 1 . GLU 19 19 26948 1 . GLU 20 20 26948 1 . ILE 21 21 26948 1 . CYS 22 22 26948 1 . LYS 23 23 26948 1 . ALA 24 24 26948 1 . HIS 25 25 26948 1 . GLY 26 26 26948 1 . THR 27 27 26948 1 . VAL 28 28 26948 1 . LYS 29 29 26948 1 . ASP 30 30 26948 1 . LEU 31 31 26948 1 . ARG 32 32 26948 1 . LEU 33 33 26948 1 . VAL 34 34 26948 1 . THR 35 35 26948 1 . ASN 36 36 26948 1 . ARG 37 37 26948 1 . ALA 38 38 26948 1 . GLY 39 39 26948 1 . LYS 40 40 26948 1 . PRO 41 41 26948 1 . LYS 42 42 26948 1 . GLY 43 43 26948 1 . LEU 44 44 26948 1 . ALA 45 45 26948 1 . TYR 46 46 26948 1 . VAL 47 47 26948 1 . GLU 48 48 26948 1 . TYR 49 49 26948 1 . GLU 50 50 26948 1 . ASN 51 51 26948 1 . GLU 52 52 26948 1 . SER 53 53 26948 1 . GLN 54 54 26948 1 . ALA 55 55 26948 1 . SER 56 56 26948 1 . GLN 57 57 26948 1 . ALA 58 58 26948 1 . VAL 59 59 26948 1 . MET 60 60 26948 1 . LYS 61 61 26948 1 . MET 62 62 26948 1 . ASP 63 63 26948 1 . GLY 64 64 26948 1 . MET 65 65 26948 1 . THR 66 66 26948 1 . ILE 67 67 26948 1 . LYS 68 68 26948 1 . GLU 69 69 26948 1 . ASN 70 70 26948 1 . ILE 71 71 26948 1 . ILE 72 72 26948 1 . LYS 73 73 26948 1 . VAL 74 74 26948 1 . ALA 75 75 26948 1 . ILE 76 76 26948 1 . SER 77 77 26948 1 . ASN 78 78 26948 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 26948 _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 $SART3_RRM2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26948 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 26948 _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 $SART3_RRM2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28a . . . 26948 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26948 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM sodium phosphate pH 6.5, 100mM NaCl, 0.5mM DTT and 10% (v/v) D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SART3 RRM2' '[U-99% 13C; U-99% 15N]' . . 1 $SART3_RRM2 . . 1.2 . . mM . . . . 26948 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 26948 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 26948 1 4 DTT 'natural abundance' . . . . . . 0.5 . . mM . . . . 26948 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 26948 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20mM sodium phosphate pH 6.5, 100mM NaCl, 0.5mM DTT and 10% (v/v) D2O' 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' 100 . mM 26948 1 pH 6.5 . pH 26948 1 pressure 1 . atm 26948 1 temperature 293 . K 26948 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26948 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version 3.114 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26948 1 Goddard . . 26948 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26948 1 collection 26948 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 26948 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 26948 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 'with cryoprobe' . . 26948 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 26948 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26948 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26948 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26948 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26948 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26948 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26948 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26948 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 26948 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'referenced with DSS' 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 0.0 internal indirect 0.251449530 . . . . . 26948 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 26948 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.101329118 . . . . . 26948 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 26948 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26948 1 2 '3D CBCA(CO)NH' . . . 26948 1 3 '3D HNCO' . . . 26948 1 4 '3D HNCA' . . . 26948 1 5 '3D HNCACB' . . . 26948 1 6 '3D HN(CO)CA' . . . 26948 1 7 '3D HBHA(CO)NH' . . . 26948 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 $SPARKY . . 26948 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 LYS HA H 1 5.72 0.02 . 1 . . . . . 800 LYS HA . 26948 1 2 . 1 1 1 1 LYS C C 13 170.9 0.35 . 1 . . . . . 800 LYS C . 26948 1 3 . 1 1 1 1 LYS CA C 13 52.65 0.35 . 1 . . . . . 800 LYS CA . 26948 1 4 . 1 1 2 2 HIS H H 1 8.168 0.02 . 1 . . . . . 801 HIS H . 26948 1 5 . 1 1 2 2 HIS HA H 1 5.238 0.02 . 1 . . . . . 801 HIS HA . 26948 1 6 . 1 1 2 2 HIS C C 13 171 0.35 . 1 . . . . . 801 HIS C . 26948 1 7 . 1 1 2 2 HIS CA C 13 53.39 0.35 . 1 . . . . . 801 HIS CA . 26948 1 8 . 1 1 2 2 HIS N N 15 117.9 0.2 . 1 . . . . . 801 HIS N . 26948 1 9 . 1 1 3 3 LYS H H 1 8.099 0.02 . 1 . . . . . 802 LYS H . 26948 1 10 . 1 1 3 3 LYS HA H 1 6.25 0.02 . 1 . . . . . 802 LYS HA . 26948 1 11 . 1 1 3 3 LYS C C 13 172.1 0.35 . 1 . . . . . 802 LYS C . 26948 1 12 . 1 1 3 3 LYS CA C 13 52.28 0.35 . 1 . . . . . 802 LYS CA . 26948 1 13 . 1 1 3 3 LYS N N 15 121.1 0.2 . 1 . . . . . 802 LYS N . 26948 1 14 . 1 1 4 4 LEU H H 1 9.534 0.02 . 1 . . . . . 803 LEU H . 26948 1 15 . 1 1 4 4 LEU HA H 1 6.012 0.02 . 1 . . . . . 803 LEU HA . 26948 1 16 . 1 1 4 4 LEU C C 13 172.9 0.35 . 1 . . . . . 803 LEU C . 26948 1 17 . 1 1 4 4 LEU CA C 13 50.82 0.35 . 1 . . . . . 803 LEU CA . 26948 1 18 . 1 1 4 4 LEU N N 15 122.9 0.2 . 1 . . . . . 803 LEU N . 26948 1 19 . 1 1 5 5 PHE H H 1 9.196 0.02 . 1 . . . . . 804 PHE H . 26948 1 20 . 1 1 5 5 PHE HA H 1 6.127 0.02 . 1 . . . . . 804 PHE HA . 26948 1 21 . 1 1 5 5 PHE C C 13 171.4 0.35 . 1 . . . . . 804 PHE C . 26948 1 22 . 1 1 5 5 PHE CA C 13 52.65 0.35 . 1 . . . . . 804 PHE CA . 26948 1 23 . 1 1 5 5 PHE N N 15 121.6 0.2 . 1 . . . . . 804 PHE N . 26948 1 24 . 1 1 6 6 ILE H H 1 8.799 0.02 . 1 . . . . . 805 ILE H . 26948 1 25 . 1 1 6 6 ILE HA H 1 5.684 0.02 . 1 . . . . . 805 ILE HA . 26948 1 26 . 1 1 6 6 ILE C C 13 170.5 0.35 . 1 . . . . . 805 ILE C . 26948 1 27 . 1 1 6 6 ILE CA C 13 57.03 0.35 . 1 . . . . . 805 ILE CA . 26948 1 28 . 1 1 6 6 ILE N N 15 128.8 0.2 . 1 . . . . . 805 ILE N . 26948 1 29 . 1 1 7 7 SER H H 1 8.985 0.02 . 1 . . . . . 806 SER H . 26948 1 30 . 1 1 7 7 SER HA H 1 6.039 0.02 . 1 . . . . . 806 SER HA . 26948 1 31 . 1 1 7 7 SER C C 13 170.8 0.35 . 1 . . . . . 806 SER C . 26948 1 32 . 1 1 7 7 SER CA C 13 53.3 0.35 . 1 . . . . . 806 SER CA . 26948 1 33 . 1 1 7 7 SER N N 15 118.5 0.2 . 1 . . . . . 806 SER N . 26948 1 34 . 1 1 8 8 GLY H H 1 7.863 0.02 . 1 . . . . . 807 GLY H . 26948 1 35 . 1 1 8 8 GLY HA2 H 1 4.605 0.02 . 1 . . . . . 807 GLY HA2 . 26948 1 36 . 1 1 8 8 GLY HA3 H 1 5.233 0.02 . 1 . . . . . 807 GLY HA3 . 26948 1 37 . 1 1 8 8 GLY C C 13 172.7 0.35 . 1 . . . . . 807 GLY C . 26948 1 38 . 1 1 8 8 GLY CA C 13 42.59 0.35 . 1 . . . . . 807 GLY CA . 26948 1 39 . 1 1 8 8 GLY N N 15 108 0.2 . 1 . . . . . 807 GLY N . 26948 1 40 . 1 1 9 9 LEU H H 1 8.179 0.02 . 1 . . . . . 808 LEU H . 26948 1 41 . 1 1 9 9 LEU CA C 13 50.61 0.35 . 1 . . . . . 808 LEU CA . 26948 1 42 . 1 1 9 9 LEU N N 15 119.2 0.2 . 1 . . . . . 808 LEU N . 26948 1 43 . 1 1 10 10 PRO HA H 1 5.288 0.02 . 1 . . . . . 809 PRO HA . 26948 1 44 . 1 1 10 10 PRO C C 13 176 0.35 . 1 . . . . . 809 PRO C . 26948 1 45 . 1 1 10 10 PRO CA C 13 59.51 0.35 . 1 . . . . . 809 PRO CA . 26948 1 46 . 1 1 11 11 PHE H H 1 8.689 0.02 . 1 . . . . . 810 PHE H . 26948 1 47 . 1 1 11 11 PHE HA H 1 5.209 0.02 . 1 . . . . . 810 PHE HA . 26948 1 48 . 1 1 11 11 PHE C C 13 173.6 0.35 . 1 . . . . . 810 PHE C . 26948 1 49 . 1 1 11 11 PHE CA C 13 56.08 0.35 . 1 . . . . . 810 PHE CA . 26948 1 50 . 1 1 11 11 PHE N N 15 124.5 0.2 . 1 . . . . . 810 PHE N . 26948 1 51 . 1 1 12 12 SER H H 1 7.674 0.02 . 1 . . . . . 811 SER H . 26948 1 52 . 1 1 12 12 SER HA H 1 5.135 0.02 . 1 . . . . . 811 SER HA . 26948 1 53 . 1 1 12 12 SER C C 13 172 0.35 . 1 . . . . . 811 SER C . 26948 1 54 . 1 1 12 12 SER CA C 13 55.05 0.35 . 1 . . . . . 811 SER CA . 26948 1 55 . 1 1 12 12 SER N N 15 109.8 0.2 . 1 . . . . . 811 SER N . 26948 1 56 . 1 1 13 13 CYS H H 1 7.268 0.02 . 1 . . . . . 812 CYS H . 26948 1 57 . 1 1 13 13 CYS HA H 1 5.473 0.02 . 1 . . . . . 812 CYS HA . 26948 1 58 . 1 1 13 13 CYS C C 13 171.5 0.35 . 1 . . . . . 812 CYS C . 26948 1 59 . 1 1 13 13 CYS CA C 13 57.07 0.35 . 1 . . . . . 812 CYS CA . 26948 1 60 . 1 1 13 13 CYS N N 15 122.9 0.2 . 1 . . . . . 812 CYS N . 26948 1 61 . 1 1 14 14 THR H H 1 8.562 0.02 . 1 . . . . . 813 THR H . 26948 1 62 . 1 1 14 14 THR HA H 1 5.448 0.02 . 1 . . . . . 813 THR HA . 26948 1 63 . 1 1 14 14 THR C C 13 172.5 0.35 . 1 . . . . . 813 THR C . 26948 1 64 . 1 1 14 14 THR CA C 13 57.69 0.35 . 1 . . . . . 813 THR CA . 26948 1 65 . 1 1 14 14 THR N N 15 120.8 0.2 . 1 . . . . . 813 THR N . 26948 1 66 . 1 1 15 15 LYS H H 1 9.067 0.02 . 1 . . . . . 814 LYS H . 26948 1 67 . 1 1 15 15 LYS HA H 1 4.58 0.02 . 1 . . . . . 814 LYS HA . 26948 1 68 . 1 1 15 15 LYS C C 13 174.9 0.35 . 1 . . . . . 814 LYS C . 26948 1 69 . 1 1 15 15 LYS CA C 13 57.63 0.35 . 1 . . . . . 814 LYS CA . 26948 1 70 . 1 1 15 15 LYS N N 15 121.9 0.2 . 1 . . . . . 814 LYS N . 26948 1 71 . 1 1 16 16 GLU H H 1 8.827 0.02 . 1 . . . . . 815 GLU H . 26948 1 72 . 1 1 16 16 GLU HA H 1 4.924 0.02 . 1 . . . . . 815 GLU HA . 26948 1 73 . 1 1 16 16 GLU C C 13 176.9 0.35 . 1 . . . . . 815 GLU C . 26948 1 74 . 1 1 16 16 GLU CA C 13 58.04 0.35 . 1 . . . . . 815 GLU CA . 26948 1 75 . 1 1 16 16 GLU N N 15 117.8 0.2 . 1 . . . . . 815 GLU N . 26948 1 76 . 1 1 17 17 GLU H H 1 7.728 0.02 . 1 . . . . . 816 GLU H . 26948 1 77 . 1 1 17 17 GLU HA H 1 4.895 0.02 . 1 . . . . . 816 GLU HA . 26948 1 78 . 1 1 17 17 GLU C C 13 176.9 0.35 . 1 . . . . . 816 GLU C . 26948 1 79 . 1 1 17 17 GLU CA C 13 56.09 0.35 . 1 . . . . . 816 GLU CA . 26948 1 80 . 1 1 17 17 GLU N N 15 120.4 0.2 . 1 . . . . . 816 GLU N . 26948 1 81 . 1 1 18 18 LEU H H 1 7.847 0.02 . 1 . . . . . 817 LEU H . 26948 1 82 . 1 1 18 18 LEU HA H 1 4.99 0.02 . 1 . . . . . 817 LEU HA . 26948 1 83 . 1 1 18 18 LEU C C 13 175.9 0.35 . 1 . . . . . 817 LEU C . 26948 1 84 . 1 1 18 18 LEU CA C 13 54.03 0.35 . 1 . . . . . 817 LEU CA . 26948 1 85 . 1 1 18 18 LEU N N 15 119.9 0.2 . 1 . . . . . 817 LEU N . 26948 1 86 . 1 1 19 19 GLU H H 1 8.937 0.02 . 1 . . . . . 818 GLU H . 26948 1 87 . 1 1 19 19 GLU HA H 1 4.368 0.02 . 1 . . . . . 818 GLU HA . 26948 1 88 . 1 1 19 19 GLU C C 13 174.9 0.35 . 1 . . . . . 818 GLU C . 26948 1 89 . 1 1 19 19 GLU CA C 13 58.26 0.35 . 1 . . . . . 818 GLU CA . 26948 1 90 . 1 1 19 19 GLU N N 15 121.9 0.2 . 1 . . . . . 818 GLU N . 26948 1 91 . 1 1 20 20 GLU H H 1 7.551 0.02 . 1 . . . . . 819 GLU H . 26948 1 92 . 1 1 20 20 GLU HA H 1 4.76 0.02 . 1 . . . . . 819 GLU HA . 26948 1 93 . 1 1 20 20 GLU C C 13 176 0.35 . 1 . . . . . 819 GLU C . 26948 1 94 . 1 1 20 20 GLU CA C 13 56.63 0.35 . 1 . . . . . 819 GLU CA . 26948 1 95 . 1 1 20 20 GLU N N 15 116.7 0.2 . 1 . . . . . 819 GLU N . 26948 1 96 . 1 1 21 21 ILE H H 1 7.095 0.02 . 1 . . . . . 820 ILE H . 26948 1 97 . 1 1 21 21 ILE HA H 1 4.641 0.02 . 1 . . . . . 820 ILE HA . 26948 1 98 . 1 1 21 21 ILE C C 13 176 0.35 . 1 . . . . . 820 ILE C . 26948 1 99 . 1 1 21 21 ILE CA C 13 62.08 0.35 . 1 . . . . . 820 ILE CA . 26948 1 100 . 1 1 21 21 ILE N N 15 118.7 0.2 . 1 . . . . . 820 ILE N . 26948 1 101 . 1 1 22 22 CYS H H 1 8.268 0.02 . 1 . . . . . 821 CYS H . 26948 1 102 . 1 1 22 22 CYS HA H 1 5.124 0.02 . 1 . . . . . 821 CYS HA . 26948 1 103 . 1 1 22 22 CYS C C 13 176.4 0.35 . 1 . . . . . 821 CYS C . 26948 1 104 . 1 1 22 22 CYS CA C 13 61.26 0.35 . 1 . . . . . 821 CYS CA . 26948 1 105 . 1 1 22 22 CYS N N 15 115.4 0.2 . 1 . . . . . 821 CYS N . 26948 1 106 . 1 1 23 23 LYS H H 1 8.556 0.02 . 1 . . . . . 822 LYS H . 26948 1 107 . 1 1 23 23 LYS HA H 1 5.532 0.02 . 1 . . . . . 822 LYS HA . 26948 1 108 . 1 1 23 23 LYS C C 13 173.5 0.35 . 1 . . . . . 822 LYS C . 26948 1 109 . 1 1 23 23 LYS CA C 13 55.54 0.35 . 1 . . . . . 822 LYS CA . 26948 1 110 . 1 1 23 23 LYS N N 15 121.4 0.2 . 1 . . . . . 822 LYS N . 26948 1 111 . 1 1 24 24 ALA H H 1 6.81 0.02 . 1 . . . . . 823 ALA H . 26948 1 112 . 1 1 24 24 ALA HA H 1 4.871 0.02 . 1 . . . . . 823 ALA HA . 26948 1 113 . 1 1 24 24 ALA C C 13 175.7 0.35 . 1 . . . . . 823 ALA C . 26948 1 114 . 1 1 24 24 ALA CA C 13 51.13 0.35 . 1 . . . . . 823 ALA CA . 26948 1 115 . 1 1 24 24 ALA N N 15 120.2 0.2 . 1 . . . . . 823 ALA N . 26948 1 116 . 1 1 25 25 HIS H H 1 6.81 0.02 . 1 . . . . . 824 HIS H . 26948 1 117 . 1 1 25 25 HIS HA H 1 5.622 0.02 . 1 . . . . . 824 HIS HA . 26948 1 118 . 1 1 25 25 HIS C C 13 171.4 0.35 . 1 . . . . . 824 HIS C . 26948 1 119 . 1 1 25 25 HIS CA C 13 52.28 0.35 . 1 . . . . . 824 HIS CA . 26948 1 120 . 1 1 25 25 HIS N N 15 112.5 0.2 . 1 . . . . . 824 HIS N . 26948 1 121 . 1 1 26 26 GLY H H 1 7.188 0.02 . 1 . . . . . 825 GLY H . 26948 1 122 . 1 1 26 26 GLY HA2 H 1 4.79 0.02 . 1 . . . . . 825 GLY HA2 . 26948 1 123 . 1 1 26 26 GLY HA3 H 1 5.008 0.02 . 1 . . . . . 825 GLY HA3 . 26948 1 124 . 1 1 26 26 GLY C C 13 168.2 0.35 . 1 . . . . . 825 GLY C . 26948 1 125 . 1 1 26 26 GLY CA C 13 41.84 0.35 . 1 . . . . . 825 GLY CA . 26948 1 126 . 1 1 26 26 GLY N N 15 103.9 0.2 . 1 . . . . . 825 GLY N . 26948 1 127 . 1 1 27 27 THR H H 1 7.853 0.02 . 1 . . . . . 826 THR H . 26948 1 128 . 1 1 27 27 THR HA H 1 5.184 0.02 . 1 . . . . . 826 THR HA . 26948 1 129 . 1 1 27 27 THR C C 13 170.3 0.35 . 1 . . . . . 826 THR C . 26948 1 130 . 1 1 27 27 THR CA C 13 59.66 0.35 . 1 . . . . . 826 THR CA . 26948 1 131 . 1 1 27 27 THR N N 15 115.7 0.2 . 1 . . . . . 826 THR N . 26948 1 132 . 1 1 28 28 VAL H H 1 8.651 0.02 . 1 . . . . . 827 VAL H . 26948 1 133 . 1 1 28 28 VAL HA H 1 4.358 0.02 . 1 . . . . . 827 VAL HA . 26948 1 134 . 1 1 28 28 VAL C C 13 173.2 0.35 . 1 . . . . . 827 VAL C . 26948 1 135 . 1 1 28 28 VAL CA C 13 59.77 0.35 . 1 . . . . . 827 VAL CA . 26948 1 136 . 1 1 28 28 VAL N N 15 129.1 0.2 . 1 . . . . . 827 VAL N . 26948 1 137 . 1 1 29 29 LYS H H 1 8.91 0.02 . 1 . . . . . 828 LYS H . 26948 1 138 . 1 1 29 29 LYS HA H 1 5.1 0.02 . 1 . . . . . 828 LYS HA . 26948 1 139 . 1 1 29 29 LYS C C 13 173.5 0.35 . 1 . . . . . 828 LYS C . 26948 1 140 . 1 1 29 29 LYS CA C 13 53.36 0.35 . 1 . . . . . 828 LYS CA . 26948 1 141 . 1 1 29 29 LYS N N 15 129.6 0.2 . 1 . . . . . 828 LYS N . 26948 1 142 . 1 1 30 30 ASP H H 1 7.395 0.02 . 1 . . . . . 829 ASP H . 26948 1 143 . 1 1 30 30 ASP HA H 1 5.539 0.02 . 1 . . . . . 829 ASP HA . 26948 1 144 . 1 1 30 30 ASP C C 13 170.2 0.35 . 1 . . . . . 829 ASP C . 26948 1 145 . 1 1 30 30 ASP CA C 13 51.52 0.35 . 1 . . . . . 829 ASP CA . 26948 1 146 . 1 1 30 30 ASP N N 15 115.8 0.2 . 1 . . . . . 829 ASP N . 26948 1 147 . 1 1 31 31 LEU H H 1 7.926 0.02 . 1 . . . . . 830 LEU H . 26948 1 148 . 1 1 31 31 LEU HA H 1 5.903 0.02 . 1 . . . . . 830 LEU HA . 26948 1 149 . 1 1 31 31 LEU C C 13 171.7 0.35 . 1 . . . . . 830 LEU C . 26948 1 150 . 1 1 31 31 LEU CA C 13 52.96 0.35 . 1 . . . . . 830 LEU CA . 26948 1 151 . 1 1 31 31 LEU N N 15 126.3 0.2 . 1 . . . . . 830 LEU N . 26948 1 152 . 1 1 32 32 ARG H H 1 8.832 0.02 . 1 . . . . . 831 ARG H . 26948 1 153 . 1 1 32 32 ARG HA H 1 5.607 0.02 . 1 . . . . . 831 ARG HA . 26948 1 154 . 1 1 32 32 ARG CA C 13 51.79 0.35 . 1 . . . . . 831 ARG CA . 26948 1 155 . 1 1 32 32 ARG N N 15 124 0.2 . 1 . . . . . 831 ARG N . 26948 1 156 . 1 1 33 33 LEU H H 1 8.765 0.02 . 1 . . . . . 832 LEU H . 26948 1 157 . 1 1 33 33 LEU HA H 1 5.579 0.02 . 1 . . . . . 832 LEU HA . 26948 1 158 . 1 1 33 33 LEU C C 13 174 0.35 . 1 . . . . . 832 LEU C . 26948 1 159 . 1 1 33 33 LEU CA C 13 51.84 0.35 . 1 . . . . . 832 LEU CA . 26948 1 160 . 1 1 33 33 LEU N N 15 124.7 0.2 . 1 . . . . . 832 LEU N . 26948 1 161 . 1 1 34 34 VAL H H 1 8.056 0.02 . 1 . . . . . 833 VAL H . 26948 1 162 . 1 1 34 34 VAL HA H 1 5.052 0.02 . 1 . . . . . 833 VAL HA . 26948 1 163 . 1 1 34 34 VAL C C 13 173.1 0.35 . 1 . . . . . 833 VAL C . 26948 1 164 . 1 1 34 34 VAL CA C 13 60.29 0.35 . 1 . . . . . 833 VAL CA . 26948 1 165 . 1 1 34 34 VAL N N 15 124.7 0.2 . 1 . . . . . 833 VAL N . 26948 1 166 . 1 1 35 35 THR H H 1 8.383 0.02 . 1 . . . . . 834 THR H . 26948 1 167 . 1 1 35 35 THR HA H 1 5.867 0.02 . 1 . . . . . 834 THR HA . 26948 1 168 . 1 1 35 35 THR C C 13 172.1 0.35 . 1 . . . . . 834 THR C . 26948 1 169 . 1 1 35 35 THR CA C 13 56.9 0.35 . 1 . . . . . 834 THR CA . 26948 1 170 . 1 1 35 35 THR N N 15 118.4 0.2 . 1 . . . . . 834 THR N . 26948 1 171 . 1 1 36 36 ASN H H 1 8.579 0.02 . 1 . . . . . 835 ASN H . 26948 1 172 . 1 1 36 36 ASN CA C 13 48.54 0.35 . 1 . . . . . 835 ASN CA . 26948 1 173 . 1 1 36 36 ASN N N 15 118.8 0.2 . 1 . . . . . 835 ASN N . 26948 1 174 . 1 1 37 37 ARG HA H 1 5.01 0.02 . 1 . . . . . 836 ARG HA . 26948 1 175 . 1 1 37 37 ARG C C 13 174 0.35 . 1 . . . . . 836 ARG C . 26948 1 176 . 1 1 37 37 ARG CA C 13 55.98 0.35 . 1 . . . . . 836 ARG CA . 26948 1 177 . 1 1 38 38 ALA H H 1 7.518 0.02 . 1 . . . . . 837 ALA H . 26948 1 178 . 1 1 38 38 ALA HA H 1 5.315 0.02 . 1 . . . . . 837 ALA HA . 26948 1 179 . 1 1 38 38 ALA C C 13 174.9 0.35 . 1 . . . . . 837 ALA C . 26948 1 180 . 1 1 38 38 ALA CA C 13 49.19 0.35 . 1 . . . . . 837 ALA CA . 26948 1 181 . 1 1 38 38 ALA N N 15 120.9 0.2 . 1 . . . . . 837 ALA N . 26948 1 182 . 1 1 39 39 GLY H H 1 8.073 0.02 . 1 . . . . . 838 GLY H . 26948 1 183 . 1 1 39 39 GLY HA2 H 1 4.57 0.02 . 1 . . . . . 838 GLY HA2 . 26948 1 184 . 1 1 39 39 GLY HA3 H 1 5.131 0.02 . 1 . . . . . 838 GLY HA3 . 26948 1 185 . 1 1 39 39 GLY C C 13 171.3 0.35 . 1 . . . . . 838 GLY C . 26948 1 186 . 1 1 39 39 GLY CA C 13 42.34 0.35 . 1 . . . . . 838 GLY CA . 26948 1 187 . 1 1 39 39 GLY N N 15 107.2 0.2 . 1 . . . . . 838 GLY N . 26948 1 188 . 1 1 40 40 LYS H H 1 7.914 0.02 . 1 . . . . . 839 LYS H . 26948 1 189 . 1 1 40 40 LYS CA C 13 50.48 0.35 . 1 . . . . . 839 LYS CA . 26948 1 190 . 1 1 40 40 LYS N N 15 121.7 0.2 . 1 . . . . . 839 LYS N . 26948 1 191 . 1 1 41 41 PRO HA H 1 5.276 0.02 . 1 . . . . . 840 PRO HA . 26948 1 192 . 1 1 41 41 PRO C C 13 173.8 0.35 . 1 . . . . . 840 PRO C . 26948 1 193 . 1 1 41 41 PRO CA C 13 60.93 0.35 . 1 . . . . . 840 PRO CA . 26948 1 194 . 1 1 42 42 LYS H H 1 8.137 0.02 . 1 . . . . . 841 LYS H . 26948 1 195 . 1 1 42 42 LYS HA H 1 5.31 0.02 . 1 . . . . . 841 LYS HA . 26948 1 196 . 1 1 42 42 LYS C C 13 174.2 0.35 . 1 . . . . . 841 LYS C . 26948 1 197 . 1 1 42 42 LYS CA C 13 53.06 0.35 . 1 . . . . . 841 LYS CA . 26948 1 198 . 1 1 42 42 LYS N N 15 117.2 0.2 . 1 . . . . . 841 LYS N . 26948 1 199 . 1 1 43 43 GLY H H 1 8.546 0.02 . 1 . . . . . 842 GLY H . 26948 1 200 . 1 1 43 43 GLY HA2 H 1 4.722 0.02 . 1 . . . . . 842 GLY HA2 . 26948 1 201 . 1 1 43 43 GLY HA3 H 1 5.124 0.02 . 1 . . . . . 842 GLY HA3 . 26948 1 202 . 1 1 43 43 GLY C C 13 169.4 0.35 . 1 . . . . . 842 GLY C . 26948 1 203 . 1 1 43 43 GLY CA C 13 43.74 0.35 . 1 . . . . . 842 GLY CA . 26948 1 204 . 1 1 43 43 GLY N N 15 110.2 0.2 . 1 . . . . . 842 GLY N . 26948 1 205 . 1 1 44 44 LEU H H 1 6.812 0.02 . 1 . . . . . 843 LEU H . 26948 1 206 . 1 1 44 44 LEU HA H 1 6.391 0.02 . 1 . . . . . 843 LEU HA . 26948 1 207 . 1 1 44 44 LEU C C 13 173.9 0.35 . 1 . . . . . 843 LEU C . 26948 1 208 . 1 1 44 44 LEU CA C 13 49.32 0.35 . 1 . . . . . 843 LEU CA . 26948 1 209 . 1 1 44 44 LEU N N 15 116.7 0.2 . 1 . . . . . 843 LEU N . 26948 1 210 . 1 1 45 45 ALA H H 1 8.876 0.02 . 1 . . . . . 844 ALA H . 26948 1 211 . 1 1 45 45 ALA HA H 1 6.031 0.02 . 1 . . . . . 844 ALA HA . 26948 1 212 . 1 1 45 45 ALA C C 13 171.4 0.35 . 1 . . . . . 844 ALA C . 26948 1 213 . 1 1 45 45 ALA CA C 13 48.63 0.35 . 1 . . . . . 844 ALA CA . 26948 1 214 . 1 1 45 45 ALA N N 15 122.3 0.2 . 1 . . . . . 844 ALA N . 26948 1 215 . 1 1 46 46 TYR H H 1 8.575 0.02 . 1 . . . . . 845 TYR H . 26948 1 216 . 1 1 46 46 TYR HA H 1 6.637 0.02 . 1 . . . . . 845 TYR HA . 26948 1 217 . 1 1 46 46 TYR C C 13 172.7 0.35 . 1 . . . . . 845 TYR C . 26948 1 218 . 1 1 46 46 TYR CA C 13 53.96 0.35 . 1 . . . . . 845 TYR CA . 26948 1 219 . 1 1 46 46 TYR N N 15 116 0.2 . 1 . . . . . 845 TYR N . 26948 1 220 . 1 1 47 47 VAL H H 1 8.648 0.02 . 1 . . . . . 846 VAL H . 26948 1 221 . 1 1 47 47 VAL HA H 1 5.67 0.02 . 1 . . . . . 846 VAL HA . 26948 1 222 . 1 1 47 47 VAL C C 13 169.8 0.35 . 1 . . . . . 846 VAL C . 26948 1 223 . 1 1 47 47 VAL CA C 13 57.57 0.35 . 1 . . . . . 846 VAL CA . 26948 1 224 . 1 1 47 47 VAL N N 15 120.9 0.2 . 1 . . . . . 846 VAL N . 26948 1 225 . 1 1 48 48 GLU H H 1 8.783 0.02 . 1 . . . . . 847 GLU H . 26948 1 226 . 1 1 48 48 GLU HA H 1 6.038 0.02 . 1 . . . . . 847 GLU HA . 26948 1 227 . 1 1 48 48 GLU C C 13 172.9 0.35 . 1 . . . . . 847 GLU C . 26948 1 228 . 1 1 48 48 GLU CA C 13 51.92 0.35 . 1 . . . . . 847 GLU CA . 26948 1 229 . 1 1 48 48 GLU N N 15 127.7 0.2 . 1 . . . . . 847 GLU N . 26948 1 230 . 1 1 49 49 TYR H H 1 8.68 0.02 . 1 . . . . . 848 TYR H . 26948 1 231 . 1 1 49 49 TYR HA H 1 6.125 0.02 . 1 . . . . . 848 TYR HA . 26948 1 232 . 1 1 49 49 TYR C C 13 173 0.35 . 1 . . . . . 848 TYR C . 26948 1 233 . 1 1 49 49 TYR CA C 13 55.9 0.35 . 1 . . . . . 848 TYR CA . 26948 1 234 . 1 1 49 49 TYR N N 15 125.5 0.2 . 1 . . . . . 848 TYR N . 26948 1 235 . 1 1 50 50 GLU H H 1 7.907 0.02 . 1 . . . . . 849 GLU H . 26948 1 236 . 1 1 50 50 GLU HA H 1 4.9 0.02 . 1 . . . . . 849 GLU HA . 26948 1 237 . 1 1 50 50 GLU C C 13 173 0.35 . 1 . . . . . 849 GLU C . 26948 1 238 . 1 1 50 50 GLU CA C 13 55.99 0.35 . 1 . . . . . 849 GLU CA . 26948 1 239 . 1 1 50 50 GLU N N 15 117 0.2 . 1 . . . . . 849 GLU N . 26948 1 240 . 1 1 51 51 ASN H H 1 7.369 0.02 . 1 . . . . . 850 ASN H . 26948 1 241 . 1 1 51 51 ASN HA H 1 5.822 0.02 . 1 . . . . . 850 ASN HA . 26948 1 242 . 1 1 51 51 ASN C C 13 172.2 0.35 . 1 . . . . . 850 ASN C . 26948 1 243 . 1 1 51 51 ASN CA C 13 49.39 0.35 . 1 . . . . . 850 ASN CA . 26948 1 244 . 1 1 51 51 ASN N N 15 108.8 0.2 . 1 . . . . . 850 ASN N . 26948 1 245 . 1 1 52 52 GLU H H 1 8.982 0.02 . 1 . . . . . 851 GLU H . 26948 1 246 . 1 1 52 52 GLU HA H 1 5.04 0.02 . 1 . . . . . 851 GLU HA . 26948 1 247 . 1 1 52 52 GLU C C 13 175.4 0.35 . 1 . . . . . 851 GLU C . 26948 1 248 . 1 1 52 52 GLU CA C 13 56.38 0.35 . 1 . . . . . 851 GLU CA . 26948 1 249 . 1 1 52 52 GLU N N 15 119 0.2 . 1 . . . . . 851 GLU N . 26948 1 250 . 1 1 53 53 SER H H 1 8.313 0.02 . 1 . . . . . 852 SER H . 26948 1 251 . 1 1 53 53 SER HA H 1 5.142 0.02 . 1 . . . . . 852 SER HA . 26948 1 252 . 1 1 53 53 SER C C 13 174.7 0.35 . 1 . . . . . 852 SER C . 26948 1 253 . 1 1 53 53 SER CA C 13 58.89 0.35 . 1 . . . . . 852 SER CA . 26948 1 254 . 1 1 53 53 SER N N 15 118.4 0.2 . 1 . . . . . 852 SER N . 26948 1 255 . 1 1 54 54 GLN H H 1 8.012 0.02 . 1 . . . . . 853 GLN H . 26948 1 256 . 1 1 54 54 GLN HA H 1 4.805 0.02 . 1 . . . . . 853 GLN HA . 26948 1 257 . 1 1 54 54 GLN C C 13 174.3 0.35 . 1 . . . . . 853 GLN C . 26948 1 258 . 1 1 54 54 GLN CA C 13 55.47 0.35 . 1 . . . . . 853 GLN CA . 26948 1 259 . 1 1 54 54 GLN N N 15 122.1 0.2 . 1 . . . . . 853 GLN N . 26948 1 260 . 1 1 55 55 ALA H H 1 6.99 0.02 . 1 . . . . . 854 ALA H . 26948 1 261 . 1 1 55 55 ALA HA H 1 4.51 0.02 . 1 . . . . . 854 ALA HA . 26948 1 262 . 1 1 55 55 ALA C C 13 175.9 0.35 . 1 . . . . . 854 ALA C . 26948 1 263 . 1 1 55 55 ALA CA C 13 52.4 0.35 . 1 . . . . . 854 ALA CA . 26948 1 264 . 1 1 55 55 ALA N N 15 118.7 0.2 . 1 . . . . . 854 ALA N . 26948 1 265 . 1 1 56 56 SER H H 1 8.252 0.02 . 1 . . . . . 855 SER H . 26948 1 266 . 1 1 56 56 SER HA H 1 4.929 0.02 . 1 . . . . . 855 SER HA . 26948 1 267 . 1 1 56 56 SER C C 13 174.4 0.35 . 1 . . . . . 855 SER C . 26948 1 268 . 1 1 56 56 SER CA C 13 59.1 0.35 . 1 . . . . . 855 SER CA . 26948 1 269 . 1 1 56 56 SER N N 15 111.6 0.2 . 1 . . . . . 855 SER N . 26948 1 270 . 1 1 57 57 GLN H H 1 7.559 0.02 . 1 . . . . . 856 GLN H . 26948 1 271 . 1 1 57 57 GLN HA H 1 4.902 0.02 . 1 . . . . . 856 GLN HA . 26948 1 272 . 1 1 57 57 GLN C C 13 174.5 0.35 . 1 . . . . . 856 GLN C . 26948 1 273 . 1 1 57 57 GLN CA C 13 55.84 0.35 . 1 . . . . . 856 GLN CA . 26948 1 274 . 1 1 57 57 GLN N N 15 122.2 0.2 . 1 . . . . . 856 GLN N . 26948 1 275 . 1 1 58 58 ALA H H 1 7.89 0.02 . 1 . . . . . 857 ALA H . 26948 1 276 . 1 1 58 58 ALA HA H 1 4.014 0.02 . 1 . . . . . 857 ALA HA . 26948 1 277 . 1 1 58 58 ALA C C 13 176.9 0.35 . 1 . . . . . 857 ALA C . 26948 1 278 . 1 1 58 58 ALA CA C 13 52.59 0.35 . 1 . . . . . 857 ALA CA . 26948 1 279 . 1 1 58 58 ALA N N 15 121.7 0.2 . 1 . . . . . 857 ALA N . 26948 1 280 . 1 1 59 59 VAL H H 1 7.906 0.02 . 1 . . . . . 858 VAL H . 26948 1 281 . 1 1 59 59 VAL HA H 1 4.186 0.02 . 1 . . . . . 858 VAL HA . 26948 1 282 . 1 1 59 59 VAL C C 13 174.7 0.35 . 1 . . . . . 858 VAL C . 26948 1 283 . 1 1 59 59 VAL CA C 13 64.36 0.35 . 1 . . . . . 858 VAL CA . 26948 1 284 . 1 1 59 59 VAL N N 15 116.9 0.2 . 1 . . . . . 858 VAL N . 26948 1 285 . 1 1 60 60 MET H H 1 7.107 0.02 . 1 . . . . . 859 MET H . 26948 1 286 . 1 1 60 60 MET HA H 1 5.003 0.02 . 1 . . . . . 859 MET HA . 26948 1 287 . 1 1 60 60 MET C C 13 176 0.35 . 1 . . . . . 859 MET C . 26948 1 288 . 1 1 60 60 MET CA C 13 55.54 0.35 . 1 . . . . . 859 MET CA . 26948 1 289 . 1 1 60 60 MET N N 15 116 0.2 . 1 . . . . . 859 MET N . 26948 1 290 . 1 1 61 61 LYS H H 1 7.675 0.02 . 1 . . . . . 860 LYS H . 26948 1 291 . 1 1 61 61 LYS HA H 1 5.101 0.02 . 1 . . . . . 860 LYS HA . 26948 1 292 . 1 1 61 61 LYS C C 13 175.6 0.35 . 1 . . . . . 860 LYS C . 26948 1 293 . 1 1 61 61 LYS CA C 13 53.9 0.35 . 1 . . . . . 860 LYS CA . 26948 1 294 . 1 1 61 61 LYS N N 15 115.2 0.2 . 1 . . . . . 860 LYS N . 26948 1 295 . 1 1 62 62 MET H H 1 8.476 0.02 . 1 . . . . . 861 MET H . 26948 1 296 . 1 1 62 62 MET HA H 1 5.343 0.02 . 1 . . . . . 861 MET HA . 26948 1 297 . 1 1 62 62 MET C C 13 174.1 0.35 . 1 . . . . . 861 MET C . 26948 1 298 . 1 1 62 62 MET CA C 13 54.8 0.35 . 1 . . . . . 861 MET CA . 26948 1 299 . 1 1 62 62 MET N N 15 115.7 0.2 . 1 . . . . . 861 MET N . 26948 1 300 . 1 1 63 63 ASP H H 1 7.714 0.02 . 1 . . . . . 862 ASP H . 26948 1 301 . 1 1 63 63 ASP HA H 1 5.165 0.02 . 1 . . . . . 862 ASP HA . 26948 1 302 . 1 1 63 63 ASP C C 13 175.1 0.35 . 1 . . . . . 862 ASP C . 26948 1 303 . 1 1 63 63 ASP CA C 13 55.26 0.35 . 1 . . . . . 862 ASP CA . 26948 1 304 . 1 1 63 63 ASP N N 15 117.3 0.2 . 1 . . . . . 862 ASP N . 26948 1 305 . 1 1 64 64 GLY H H 1 8.298 0.02 . 1 . . . . . 863 GLY H . 26948 1 306 . 1 1 64 64 GLY HA2 H 1 4.606 0.02 . 1 . . . . . 863 GLY HA2 . 26948 1 307 . 1 1 64 64 GLY HA3 H 1 5.061 0.02 . 1 . . . . . 863 GLY HA3 . 26948 1 308 . 1 1 64 64 GLY C C 13 171.4 0.35 . 1 . . . . . 863 GLY C . 26948 1 309 . 1 1 64 64 GLY CA C 13 43.01 0.35 . 1 . . . . . 863 GLY CA . 26948 1 310 . 1 1 64 64 GLY N N 15 116.4 0.2 . 1 . . . . . 863 GLY N . 26948 1 311 . 1 1 65 65 MET H H 1 7.897 0.02 . 1 . . . . . 864 MET H . 26948 1 312 . 1 1 65 65 MET HA H 1 5.331 0.02 . 1 . . . . . 864 MET HA . 26948 1 313 . 1 1 65 65 MET C C 13 170.4 0.35 . 1 . . . . . 864 MET C . 26948 1 314 . 1 1 65 65 MET CA C 13 53.19 0.35 . 1 . . . . . 864 MET CA . 26948 1 315 . 1 1 65 65 MET N N 15 120.5 0.2 . 1 . . . . . 864 MET N . 26948 1 316 . 1 1 66 66 THR H H 1 8.126 0.02 . 1 . . . . . 865 THR H . 26948 1 317 . 1 1 66 66 THR HA H 1 5.978 0.02 . 1 . . . . . 865 THR HA . 26948 1 318 . 1 1 66 66 THR C C 13 172.3 0.35 . 1 . . . . . 865 THR C . 26948 1 319 . 1 1 66 66 THR CA C 13 58.66 0.35 . 1 . . . . . 865 THR CA . 26948 1 320 . 1 1 66 66 THR N N 15 114.9 0.2 . 1 . . . . . 865 THR N . 26948 1 321 . 1 1 67 67 ILE H H 1 8.862 0.02 . 1 . . . . . 866 ILE H . 26948 1 322 . 1 1 67 67 ILE HA H 1 4.936 0.02 . 1 . . . . . 866 ILE HA . 26948 1 323 . 1 1 67 67 ILE C C 13 172 0.35 . 1 . . . . . 866 ILE C . 26948 1 324 . 1 1 67 67 ILE CA C 13 58.73 0.35 . 1 . . . . . 866 ILE CA . 26948 1 325 . 1 1 67 67 ILE N N 15 126.4 0.2 . 1 . . . . . 866 ILE N . 26948 1 326 . 1 1 68 68 LYS H H 1 9.051 0.02 . 1 . . . . . 867 LYS H . 26948 1 327 . 1 1 68 68 LYS HA H 1 5.015 0.02 . 1 . . . . . 867 LYS HA . 26948 1 328 . 1 1 68 68 LYS C C 13 172.8 0.35 . 1 . . . . . 867 LYS C . 26948 1 329 . 1 1 68 68 LYS CA C 13 55.53 0.35 . 1 . . . . . 867 LYS CA . 26948 1 330 . 1 1 68 68 LYS N N 15 124.9 0.2 . 1 . . . . . 867 LYS N . 26948 1 331 . 1 1 69 69 GLU H H 1 8.289 0.02 . 1 . . . . . 868 GLU H . 26948 1 332 . 1 1 69 69 GLU HA H 1 4.945 0.02 . 1 . . . . . 868 GLU HA . 26948 1 333 . 1 1 69 69 GLU C C 13 172.7 0.35 . 1 . . . . . 868 GLU C . 26948 1 334 . 1 1 69 69 GLU CA C 13 54.88 0.35 . 1 . . . . . 868 GLU CA . 26948 1 335 . 1 1 69 69 GLU N N 15 115.4 0.2 . 1 . . . . . 868 GLU N . 26948 1 336 . 1 1 70 70 ASN H H 1 8.117 0.02 . 1 . . . . . 869 ASN H . 26948 1 337 . 1 1 70 70 ASN HA H 1 5.766 0.02 . 1 . . . . . 869 ASN HA . 26948 1 338 . 1 1 70 70 ASN C C 13 170.5 0.35 . 1 . . . . . 869 ASN C . 26948 1 339 . 1 1 70 70 ASN CA C 13 49.71 0.35 . 1 . . . . . 869 ASN CA . 26948 1 340 . 1 1 70 70 ASN N N 15 121.8 0.2 . 1 . . . . . 869 ASN N . 26948 1 341 . 1 1 71 71 ILE H H 1 8.156 0.02 . 1 . . . . . 870 ILE H . 26948 1 342 . 1 1 71 71 ILE HA H 1 5.348 0.02 . 1 . . . . . 870 ILE HA . 26948 1 343 . 1 1 71 71 ILE C C 13 174.3 0.35 . 1 . . . . . 870 ILE C . 26948 1 344 . 1 1 71 71 ILE CA C 13 58.01 0.35 . 1 . . . . . 870 ILE CA . 26948 1 345 . 1 1 71 71 ILE N N 15 122 0.2 . 1 . . . . . 870 ILE N . 26948 1 346 . 1 1 72 72 ILE H H 1 8.308 0.02 . 1 . . . . . 871 ILE H . 26948 1 347 . 1 1 72 72 ILE HA H 1 5.735 0.02 . 1 . . . . . 871 ILE HA . 26948 1 348 . 1 1 72 72 ILE C C 13 172.3 0.35 . 1 . . . . . 871 ILE C . 26948 1 349 . 1 1 72 72 ILE CA C 13 57.25 0.35 . 1 . . . . . 871 ILE CA . 26948 1 350 . 1 1 72 72 ILE N N 15 122.4 0.2 . 1 . . . . . 871 ILE N . 26948 1 351 . 1 1 73 73 LYS H H 1 8.271 0.02 . 1 . . . . . 872 LYS H . 26948 1 352 . 1 1 73 73 LYS HA H 1 5.943 0.02 . 1 . . . . . 872 LYS HA . 26948 1 353 . 1 1 73 73 LYS C C 13 172.7 0.35 . 1 . . . . . 872 LYS C . 26948 1 354 . 1 1 73 73 LYS CA C 13 51.31 0.35 . 1 . . . . . 872 LYS CA . 26948 1 355 . 1 1 73 73 LYS N N 15 123 0.2 . 1 . . . . . 872 LYS N . 26948 1 356 . 1 1 74 74 VAL H H 1 8.965 0.02 . 1 . . . . . 873 VAL H . 26948 1 357 . 1 1 74 74 VAL HA H 1 5.689 0.02 . 1 . . . . . 873 VAL HA . 26948 1 358 . 1 1 74 74 VAL C C 13 170.3 0.35 . 1 . . . . . 873 VAL C . 26948 1 359 . 1 1 74 74 VAL CA C 13 58.4 0.35 . 1 . . . . . 873 VAL CA . 26948 1 360 . 1 1 74 74 VAL N N 15 124.5 0.2 . 1 . . . . . 873 VAL N . 26948 1 361 . 1 1 75 75 ALA H H 1 8.441 0.02 . 1 . . . . . 874 ALA H . 26948 1 362 . 1 1 75 75 ALA HA H 1 5.608 0.02 . 1 . . . . . 874 ALA HA . 26948 1 363 . 1 1 75 75 ALA C C 13 173.2 0.35 . 1 . . . . . 874 ALA C . 26948 1 364 . 1 1 75 75 ALA CA C 13 47.65 0.35 . 1 . . . . . 874 ALA CA . 26948 1 365 . 1 1 75 75 ALA N N 15 127.1 0.2 . 1 . . . . . 874 ALA N . 26948 1 366 . 1 1 76 76 ILE H H 1 8.5 0.02 . 1 . . . . . 875 ILE H . 26948 1 367 . 1 1 76 76 ILE HA H 1 5.249 0.02 . 1 . . . . . 875 ILE HA . 26948 1 368 . 1 1 76 76 ILE C C 13 173.8 0.35 . 1 . . . . . 875 ILE C . 26948 1 369 . 1 1 76 76 ILE CA C 13 58.34 0.35 . 1 . . . . . 875 ILE CA . 26948 1 370 . 1 1 76 76 ILE N N 15 120.9 0.2 . 1 . . . . . 875 ILE N . 26948 1 371 . 1 1 77 77 SER H H 1 8.757 0.02 . 1 . . . . . 876 SER H . 26948 1 372 . 1 1 77 77 SER HA H 1 5.426 0.02 . 1 . . . . . 876 SER HA . 26948 1 373 . 1 1 77 77 SER C C 13 170.8 0.35 . 1 . . . . . 876 SER C . 26948 1 374 . 1 1 77 77 SER CA C 13 55.13 0.35 . 1 . . . . . 876 SER CA . 26948 1 375 . 1 1 77 77 SER N N 15 122.5 0.2 . 1 . . . . . 876 SER N . 26948 1 376 . 1 1 78 78 ASN H H 1 8.045 0.02 . 1 . . . . . 877 ASN H . 26948 1 377 . 1 1 78 78 ASN CA C 13 52.19 0.35 . 1 . . . . . 877 ASN CA . 26948 1 378 . 1 1 78 78 ASN N N 15 127.8 0.2 . 1 . . . . . 877 ASN N . 26948 1 stop_ save_