data_19797 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19797 _Entry.Title ; STRUCTURE OF THE NA,K-ATPASE REGULATORY PROTEIN FXYD2b IN MICELLES ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-02-13 _Entry.Accession_date 2014-02-13 _Entry.Last_release_date 2014-05-12 _Entry.Original_release_date 2014-05-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Francesca Marassi . M. . 19797 2 Xiao-Min Gong . . . 19797 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19797 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID FXYD . 19797 FXYD2b . 19797 micelle . 19797 Na,K-ATPase . 19797 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19797 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 169 19797 '15N chemical shifts' 60 19797 '1H chemical shifts' 229 19797 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 . . 2014-05-12 2014-02-13 original author . 19797 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JO1 FXYD1 19797 PDB 2JP3 FXYD4 19797 PDB 2MKV 'BMRB Entry Tracking System' 19797 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19797 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24794573 _Citation.Full_citation . _Citation.Title 'Structure of the Na,K-ATPase regulatory protein FXYD2b in micelles: Implications for membrane-water interfacial arginines' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Xiao-Min Gong . . . 19797 1 2 Francesca Marassi . . . 19797 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19797 _Assembly.ID 1 _Assembly.Name 'NA,K-ATPASE REGULATORY PROTEIN FXYD2b' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _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 FXYD2b 1 $FXYD2b A . yes native no no . . . 19797 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FXYD2b _Entity.Sf_category entity _Entity.Sf_framecode FXYD2b _Entity.Entry_ID 19797 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; LDRWYLGGSPKGDVDPFYYD YETVRNGGLIFAGLAFIVGL LILLSRRFRSGGNKKRRQIN EDEP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 64 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7331.390 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MKV . "Structure Of The Na,k-atpase Regulatory Protein Fxyd2b In Micelles" . . . . . 100.00 64 100.00 100.00 1.06e-36 . . . . 19797 1 2 no GB AAG34359 . "Na+,K+-ATPase gamma-subunit isoform 1 [Homo sapiens]" . . . . . 90.63 66 98.28 98.28 1.86e-31 . . . . 19797 1 3 no GB AAG34361 . "Na+,K+-ATPase gamma-subunit isoform 1 [Homo sapiens]" . . . . . 90.63 66 98.28 98.28 1.86e-31 . . . . 19797 1 4 no GB AAG37906 . "Na/K-ATPase gamma subunit splice variant a [Homo sapiens]" . . . . . 90.63 66 98.28 98.28 1.86e-31 . . . . 19797 1 5 no GB AAH13289 . "FXYD domain containing ion transport regulator 2 [Homo sapiens]" . . . . . 90.63 66 98.28 98.28 1.86e-31 . . . . 19797 1 6 no GB AAX36673 . "FXYD domain containing ion transport regulator 2 [synthetic construct]" . . . . . 90.63 66 98.28 98.28 1.86e-31 . . . . 19797 1 7 no REF NP_001671 . "sodium/potassium-transporting ATPase subunit gamma isoform 1 [Homo sapiens]" . . . . . 90.63 66 98.28 98.28 1.86e-31 . . . . 19797 1 8 no SP P54710 . "RecName: Full=Sodium/potassium-transporting ATPase subunit gamma; Short=Na(+)/K(+) ATPase subunit gamma; AltName: Full=FXYD dom" . . . . . 90.63 66 98.28 98.28 1.86e-31 . . . . 19797 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 1 LEU . 19797 1 2 2 ASP . 19797 1 3 3 ARG . 19797 1 4 4 TRP . 19797 1 5 5 TYR . 19797 1 6 6 LEU . 19797 1 7 7 GLY . 19797 1 8 8 GLY . 19797 1 9 9 SER . 19797 1 10 10 PRO . 19797 1 11 11 LYS . 19797 1 12 12 GLY . 19797 1 13 13 ASP . 19797 1 14 14 VAL . 19797 1 15 15 ASP . 19797 1 16 16 PRO . 19797 1 17 17 PHE . 19797 1 18 18 TYR . 19797 1 19 19 TYR . 19797 1 20 20 ASP . 19797 1 21 21 TYR . 19797 1 22 22 GLU . 19797 1 23 23 THR . 19797 1 24 24 VAL . 19797 1 25 25 ARG . 19797 1 26 26 ASN . 19797 1 27 27 GLY . 19797 1 28 28 GLY . 19797 1 29 29 LEU . 19797 1 30 30 ILE . 19797 1 31 31 PHE . 19797 1 32 32 ALA . 19797 1 33 33 GLY . 19797 1 34 34 LEU . 19797 1 35 35 ALA . 19797 1 36 36 PHE . 19797 1 37 37 ILE . 19797 1 38 38 VAL . 19797 1 39 39 GLY . 19797 1 40 40 LEU . 19797 1 41 41 LEU . 19797 1 42 42 ILE . 19797 1 43 43 LEU . 19797 1 44 44 LEU . 19797 1 45 45 SER . 19797 1 46 46 ARG . 19797 1 47 47 ARG . 19797 1 48 48 PHE . 19797 1 49 49 ARG . 19797 1 50 50 SER . 19797 1 51 51 GLY . 19797 1 52 52 GLY . 19797 1 53 53 ASN . 19797 1 54 54 LYS . 19797 1 55 55 LYS . 19797 1 56 56 ARG . 19797 1 57 57 ARG . 19797 1 58 58 GLN . 19797 1 59 59 ILE . 19797 1 60 60 ASN . 19797 1 61 61 GLU . 19797 1 62 62 ASP . 19797 1 63 63 GLU . 19797 1 64 64 PRO . 19797 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 . LEU 1 1 19797 1 . ASP 2 2 19797 1 . ARG 3 3 19797 1 . TRP 4 4 19797 1 . TYR 5 5 19797 1 . LEU 6 6 19797 1 . GLY 7 7 19797 1 . GLY 8 8 19797 1 . SER 9 9 19797 1 . PRO 10 10 19797 1 . LYS 11 11 19797 1 . GLY 12 12 19797 1 . ASP 13 13 19797 1 . VAL 14 14 19797 1 . ASP 15 15 19797 1 . PRO 16 16 19797 1 . PHE 17 17 19797 1 . TYR 18 18 19797 1 . TYR 19 19 19797 1 . ASP 20 20 19797 1 . TYR 21 21 19797 1 . GLU 22 22 19797 1 . THR 23 23 19797 1 . VAL 24 24 19797 1 . ARG 25 25 19797 1 . ASN 26 26 19797 1 . GLY 27 27 19797 1 . GLY 28 28 19797 1 . LEU 29 29 19797 1 . ILE 30 30 19797 1 . PHE 31 31 19797 1 . ALA 32 32 19797 1 . GLY 33 33 19797 1 . LEU 34 34 19797 1 . ALA 35 35 19797 1 . PHE 36 36 19797 1 . ILE 37 37 19797 1 . VAL 38 38 19797 1 . GLY 39 39 19797 1 . LEU 40 40 19797 1 . LEU 41 41 19797 1 . ILE 42 42 19797 1 . LEU 43 43 19797 1 . LEU 44 44 19797 1 . SER 45 45 19797 1 . ARG 46 46 19797 1 . ARG 47 47 19797 1 . PHE 48 48 19797 1 . ARG 49 49 19797 1 . SER 50 50 19797 1 . GLY 51 51 19797 1 . GLY 52 52 19797 1 . ASN 53 53 19797 1 . LYS 54 54 19797 1 . LYS 55 55 19797 1 . ARG 56 56 19797 1 . ARG 57 57 19797 1 . GLN 58 58 19797 1 . ILE 59 59 19797 1 . ASN 60 60 19797 1 . GLU 61 61 19797 1 . ASP 62 62 19797 1 . GLU 63 63 19797 1 . PRO 64 64 19797 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 19797 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $FXYD2b . 9606 'multiple natural sources' . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . FXYD2b . . . . 19797 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 19797 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $FXYD2b . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'C41 DE3' . . . . . . . . . . . . . . . na . . . 'sequence contains the mutations M1L and C50S' . . 19797 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19797 _Sample.ID 1 _Sample.Type micelle _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FXYD2b '[U-99% 13C; U-99% 15N]' . . 1 $FXYD2b . . 0.2 . . mM . . . . 19797 1 2 'SDS micelles' 'natural abundance' . . . . . . 500 . . mM . . . . 19797 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19797 1 4 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 19797 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 19797 _Sample_condition_list.ID 1 _Sample_condition_list.Details '500 mM SDS micelles' 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' 50 . mM 19797 1 pH 5 . pH 19797 1 pressure 1 . atm 19797 1 temperature 273 . K 19797 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19797 _Software.ID 1 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19797 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19797 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 19797 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 19797 _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 . 600 . . . 19797 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 19797 _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 . . . . . . . . . . . . . . . . 19797 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19797 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19797 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19797 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19797 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19797 1 7 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19797 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19797 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19797 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19797 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 19797 _Chem_shift_reference.ID 1 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19797 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19797 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19797 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 19797 _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' . . . 19797 1 2 '3D HNCA' . . . 19797 1 3 '3D CBCA(CO)NH' . . . 19797 1 4 '3D C(CO)NH' . . . 19797 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 LEU HA H 1 4.15 . . . . . . A 1 LEU HA . 19797 1 2 . 1 1 1 1 LEU HB2 H 1 1.86 . . . . . . A 1 LEU HB2 . 19797 1 3 . 1 1 1 1 LEU HB3 H 1 1.86 . . . . . . A 1 LEU HB3 . 19797 1 4 . 1 1 1 1 LEU C C 13 172.89 . . . . . . A 1 LEU C . 19797 1 5 . 1 1 1 1 LEU CA C 13 55.04 . . . . . . A 1 LEU CA . 19797 1 6 . 1 1 1 1 LEU CB C 13 42.56 . . . . . . A 1 LEU CB . 19797 1 7 . 1 1 2 2 ASP H H 1 8.56 . . . . . . A 2 ASP H . 19797 1 8 . 1 1 2 2 ASP HA H 1 4.62 . . . . . . A 2 ASP HA . 19797 1 9 . 1 1 2 2 ASP HB2 H 1 2.76 . . . . . . A 2 ASP HB2 . 19797 1 10 . 1 1 2 2 ASP HB3 H 1 2.76 . . . . . . A 2 ASP HB3 . 19797 1 11 . 1 1 2 2 ASP C C 13 175.13 . . . . . . A 2 ASP C . 19797 1 12 . 1 1 2 2 ASP CA C 13 54.13 . . . . . . A 2 ASP CA . 19797 1 13 . 1 1 2 2 ASP CB C 13 40.57 . . . . . . A 2 ASP CB . 19797 1 14 . 1 1 2 2 ASP N N 15 123.32 . . . . . . A 2 ASP N . 19797 1 15 . 1 1 3 3 ARG H H 1 7.90 . . . . . . A 3 ARG H . 19797 1 16 . 1 1 3 3 ARG HA H 1 4.17 . . . . . . A 3 ARG HA . 19797 1 17 . 1 1 3 3 ARG HB2 H 1 1.52 . . . . . . A 3 ARG HB2 . 19797 1 18 . 1 1 3 3 ARG HB3 H 1 1.52 . . . . . . A 3 ARG HB3 . 19797 1 19 . 1 1 3 3 ARG C C 13 175.60 . . . . . . A 3 ARG C . 19797 1 20 . 1 1 3 3 ARG CA C 13 56.35 . . . . . . A 3 ARG CA . 19797 1 21 . 1 1 3 3 ARG CB C 13 30.82 . . . . . . A 3 ARG CB . 19797 1 22 . 1 1 3 3 ARG N N 15 118.43 . . . . . . A 3 ARG N . 19797 1 23 . 1 1 4 4 TRP H H 1 7.64 . . . . . . A 4 TRP H . 19797 1 24 . 1 1 4 4 TRP HA H 1 4.66 . . . . . . A 4 TRP HA . 19797 1 25 . 1 1 4 4 TRP HB2 H 1 3.27 . . . . . . A 4 TRP HB2 . 19797 1 26 . 1 1 4 4 TRP HB3 H 1 3.27 . . . . . . A 4 TRP HB3 . 19797 1 27 . 1 1 4 4 TRP C C 13 175.58 . . . . . . A 4 TRP C . 19797 1 28 . 1 1 4 4 TRP CA C 13 57.94 . . . . . . A 4 TRP CA . 19797 1 29 . 1 1 4 4 TRP CB C 13 30.07 . . . . . . A 4 TRP CB . 19797 1 30 . 1 1 4 4 TRP N N 15 119.87 . . . . . . A 4 TRP N . 19797 1 31 . 1 1 5 5 TYR H H 1 7.60 . . . . . . A 5 TYR H . 19797 1 32 . 1 1 5 5 TYR HA H 1 4.50 . . . . . . A 5 TYR HA . 19797 1 33 . 1 1 5 5 TYR HB2 H 1 2.90 . . . . . . A 5 TYR HB2 . 19797 1 34 . 1 1 5 5 TYR HB3 H 1 2.90 . . . . . . A 5 TYR HB3 . 19797 1 35 . 1 1 5 5 TYR C C 13 175.53 . . . . . . A 5 TYR C . 19797 1 36 . 1 1 5 5 TYR CA C 13 58.09 . . . . . . A 5 TYR CA . 19797 1 37 . 1 1 5 5 TYR CB C 13 38.71 . . . . . . A 5 TYR CB . 19797 1 38 . 1 1 5 5 TYR N N 15 119.36 . . . . . . A 5 TYR N . 19797 1 39 . 1 1 6 6 LEU H H 1 7.81 . . . . . . A 6 LEU H . 19797 1 40 . 1 1 6 6 LEU HA H 1 4.29 . . . . . . A 6 LEU HA . 19797 1 41 . 1 1 6 6 LEU HB2 H 1 1.68 . . . . . . A 6 LEU HB2 . 19797 1 42 . 1 1 6 6 LEU HB3 H 1 1.68 . . . . . . A 6 LEU HB3 . 19797 1 43 . 1 1 6 6 LEU C C 13 177.55 . . . . . . A 6 LEU C . 19797 1 44 . 1 1 6 6 LEU CA C 13 55.45 . . . . . . A 6 LEU CA . 19797 1 45 . 1 1 6 6 LEU CB C 13 42.20 . . . . . . A 6 LEU CB . 19797 1 46 . 1 1 6 6 LEU N N 15 121.77 . . . . . . A 6 LEU N . 19797 1 47 . 1 1 7 7 GLY H H 1 7.78 . . . . . . A 7 GLY H . 19797 1 48 . 1 1 7 7 GLY HA2 H 1 3.99 . . . . . . A 7 GLY HA2 . 19797 1 49 . 1 1 7 7 GLY HA3 H 1 3.99 . . . . . . A 7 GLY HA3 . 19797 1 50 . 1 1 7 7 GLY C C 13 174.78 . . . . . . A 7 GLY C . 19797 1 51 . 1 1 7 7 GLY CA C 13 45.76 . . . . . . A 7 GLY CA . 19797 1 52 . 1 1 7 7 GLY N N 15 107.61 . . . . . . A 7 GLY N . 19797 1 53 . 1 1 8 8 GLY H H 1 7.98 . . . . . . A 8 GLY H . 19797 1 54 . 1 1 8 8 GLY HA2 H 1 4.04 . . . . . . A 8 GLY HA2 . 19797 1 55 . 1 1 8 8 GLY HA3 H 1 4.04 . . . . . . A 8 GLY HA3 . 19797 1 56 . 1 1 8 8 GLY C C 13 173.83 . . . . . . A 8 GLY C . 19797 1 57 . 1 1 8 8 GLY CA C 13 45.27 . . . . . . A 8 GLY CA . 19797 1 58 . 1 1 8 8 GLY N N 15 108.05 . . . . . . A 8 GLY N . 19797 1 59 . 1 1 9 9 SER H H 1 8.06 . . . . . . A 9 SER H . 19797 1 60 . 1 1 9 9 SER HA H 1 4.79 . . . . . . A 9 SER HA . 19797 1 61 . 1 1 9 9 SER HB2 H 1 3.92 . . . . . . A 9 SER HB2 . 19797 1 62 . 1 1 9 9 SER HB3 H 1 3.92 . . . . . . A 9 SER HB3 . 19797 1 63 . 1 1 9 9 SER CA C 13 56.45 . . . . . . A 9 SER CA . 19797 1 64 . 1 1 9 9 SER CB C 13 63.84 . . . . . . A 9 SER CB . 19797 1 65 . 1 1 9 9 SER N N 15 115.71 . . . . . . A 9 SER N . 19797 1 66 . 1 1 10 10 PRO HA H 1 4.48 . . . . . . A 10 PRO HA . 19797 1 67 . 1 1 10 10 PRO HB2 H 1 2.31 . . . . . . A 10 PRO HB2 . 19797 1 68 . 1 1 10 10 PRO HB3 H 1 2.31 . . . . . . A 10 PRO HB3 . 19797 1 69 . 1 1 10 10 PRO C C 13 177.07 . . . . . . A 10 PRO C . 19797 1 70 . 1 1 10 10 PRO CA C 13 63.64 . . . . . . A 10 PRO CA . 19797 1 71 . 1 1 10 10 PRO CB C 13 32.14 . . . . . . A 10 PRO CB . 19797 1 72 . 1 1 11 11 LYS H H 1 8.19 . . . . . . A 11 LYS H . 19797 1 73 . 1 1 11 11 LYS HA H 1 4.34 . . . . . . A 11 LYS HA . 19797 1 74 . 1 1 11 11 LYS HB2 H 1 1.84 . . . . . . A 11 LYS HB2 . 19797 1 75 . 1 1 11 11 LYS HB3 H 1 1.84 . . . . . . A 11 LYS HB3 . 19797 1 76 . 1 1 11 11 LYS C C 13 177.17 . . . . . . A 11 LYS C . 19797 1 77 . 1 1 11 11 LYS CA C 13 56.77 . . . . . . A 11 LYS CA . 19797 1 78 . 1 1 11 11 LYS CB C 13 33.04 . . . . . . A 11 LYS CB . 19797 1 79 . 1 1 11 11 LYS N N 15 120.27 . . . . . . A 11 LYS N . 19797 1 80 . 1 1 12 12 GLY H H 1 8.17 . . . . . . A 12 GLY H . 19797 1 81 . 1 1 12 12 GLY HA2 H 1 4.02 . . . . . . A 12 GLY HA2 . 19797 1 82 . 1 1 12 12 GLY HA3 H 1 4.02 . . . . . . A 12 GLY HA3 . 19797 1 83 . 1 1 12 12 GLY C C 13 174.03 . . . . . . A 12 GLY C . 19797 1 84 . 1 1 12 12 GLY CA C 13 45.68 . . . . . . A 12 GLY CA . 19797 1 85 . 1 1 12 12 GLY N N 15 108.68 . . . . . . A 12 GLY N . 19797 1 86 . 1 1 13 13 ASP H H 1 8.20 . . . . . . A 13 ASP H . 19797 1 87 . 1 1 13 13 ASP HA H 1 4.74 . . . . . . A 13 ASP HA . 19797 1 88 . 1 1 13 13 ASP HB2 H 1 2.77 . . . . . . A 13 ASP HB2 . 19797 1 89 . 1 1 13 13 ASP HB3 H 1 2.77 . . . . . . A 13 ASP HB3 . 19797 1 90 . 1 1 13 13 ASP C C 13 175.54 . . . . . . A 13 ASP C . 19797 1 91 . 1 1 13 13 ASP CA C 13 53.86 . . . . . . A 13 ASP CA . 19797 1 92 . 1 1 13 13 ASP CB C 13 40.06 . . . . . . A 13 ASP CB . 19797 1 93 . 1 1 13 13 ASP N N 15 119.80 . . . . . . A 13 ASP N . 19797 1 94 . 1 1 14 14 VAL H H 1 7.83 . . . . . . A 14 VAL H . 19797 1 95 . 1 1 14 14 VAL HA H 1 4.21 . . . . . . A 14 VAL HA . 19797 1 96 . 1 1 14 14 VAL HB H 1 2.16 . . . . . . A 14 VAL HB . 19797 1 97 . 1 1 14 14 VAL C C 13 175.29 . . . . . . A 14 VAL C . 19797 1 98 . 1 1 14 14 VAL CA C 13 62.05 . . . . . . A 14 VAL CA . 19797 1 99 . 1 1 14 14 VAL CB C 13 33.13 . . . . . . A 14 VAL CB . 19797 1 100 . 1 1 14 14 VAL N N 15 118.29 . . . . . . A 14 VAL N . 19797 1 101 . 1 1 15 15 ASP H H 1 8.24 . . . . . . A 15 ASP H . 19797 1 102 . 1 1 15 15 ASP HA H 1 4.92 . . . . . . A 15 ASP HA . 19797 1 103 . 1 1 15 15 ASP HB2 H 1 2.72 . . . . . . A 15 ASP HB2 . 19797 1 104 . 1 1 15 15 ASP HB3 H 1 2.72 . . . . . . A 15 ASP HB3 . 19797 1 105 . 1 1 15 15 ASP CA C 13 52.03 . . . . . . A 15 ASP CA . 19797 1 106 . 1 1 15 15 ASP N N 15 123.26 . . . . . . A 15 ASP N . 19797 1 107 . 1 1 16 16 PRO HA H 1 4.44 . . . . . . A 16 PRO HA . 19797 1 108 . 1 1 16 16 PRO HB2 H 1 2.18 . . . . . . A 16 PRO HB2 . 19797 1 109 . 1 1 16 16 PRO HB3 H 1 2.18 . . . . . . A 16 PRO HB3 . 19797 1 110 . 1 1 16 16 PRO C C 13 177.16 . . . . . . A 16 PRO C . 19797 1 111 . 1 1 16 16 PRO CA C 13 63.74 . . . . . . A 16 PRO CA . 19797 1 112 . 1 1 16 16 PRO CB C 13 32.10 . . . . . . A 16 PRO CB . 19797 1 113 . 1 1 17 17 PHE H H 1 8.04 . . . . . . A 17 PHE H . 19797 1 114 . 1 1 17 17 PHE HA H 1 4.55 . . . . . . A 17 PHE HA . 19797 1 115 . 1 1 17 17 PHE HB2 H 1 3.19 . . . . . . A 17 PHE HB2 . 19797 1 116 . 1 1 17 17 PHE HB3 H 1 3.19 . . . . . . A 17 PHE HB3 . 19797 1 117 . 1 1 17 17 PHE C C 13 175.80 . . . . . . A 17 PHE C . 19797 1 118 . 1 1 17 17 PHE CA C 13 58.58 . . . . . . A 17 PHE CA . 19797 1 119 . 1 1 17 17 PHE CB C 13 38.97 . . . . . . A 17 PHE CB . 19797 1 120 . 1 1 17 17 PHE N N 15 118.36 . . . . . . A 17 PHE N . 19797 1 121 . 1 1 18 18 TYR H H 1 7.25 . . . . . . A 18 TYR H . 19797 1 122 . 1 1 18 18 TYR HA H 1 4.35 . . . . . . A 18 TYR HA . 19797 1 123 . 1 1 18 18 TYR HB2 H 1 3.30 . . . . . . A 18 TYR HB2 . 19797 1 124 . 1 1 18 18 TYR HB3 H 1 3.30 . . . . . . A 18 TYR HB3 . 19797 1 125 . 1 1 18 18 TYR C C 13 174.86 . . . . . . A 18 TYR C . 19797 1 126 . 1 1 18 18 TYR CA C 13 58.34 . . . . . . A 18 TYR CA . 19797 1 127 . 1 1 18 18 TYR CB C 13 38.50 . . . . . . A 18 TYR CB . 19797 1 128 . 1 1 18 18 TYR N N 15 118.16 . . . . . . A 18 TYR N . 19797 1 129 . 1 1 19 19 TYR H H 1 7.42 . . . . . . A 19 TYR H . 19797 1 130 . 1 1 19 19 TYR HA H 1 4.44 . . . . . . A 19 TYR HA . 19797 1 131 . 1 1 19 19 TYR HB2 H 1 2.94 . . . . . . A 19 TYR HB2 . 19797 1 132 . 1 1 19 19 TYR HB3 H 1 2.94 . . . . . . A 19 TYR HB3 . 19797 1 133 . 1 1 19 19 TYR C C 13 176.55 . . . . . . A 19 TYR C . 19797 1 134 . 1 1 19 19 TYR CA C 13 58.70 . . . . . . A 19 TYR CA . 19797 1 135 . 1 1 19 19 TYR CB C 13 38.58 . . . . . . A 19 TYR CB . 19797 1 136 . 1 1 19 19 TYR N N 15 120.03 . . . . . . A 19 TYR N . 19797 1 137 . 1 1 20 20 ASP H H 1 7.95 . . . . . . A 20 ASP H . 19797 1 138 . 1 1 20 20 ASP HA H 1 4.65 . . . . . . A 20 ASP HA . 19797 1 139 . 1 1 20 20 ASP HB2 H 1 2.75 . . . . . . A 20 ASP HB2 . 19797 1 140 . 1 1 20 20 ASP HB3 H 1 2.75 . . . . . . A 20 ASP HB3 . 19797 1 141 . 1 1 20 20 ASP C C 13 175.29 . . . . . . A 20 ASP C . 19797 1 142 . 1 1 20 20 ASP CA C 13 53.90 . . . . . . A 20 ASP CA . 19797 1 143 . 1 1 20 20 ASP CB C 13 39.17 . . . . . . A 20 ASP CB . 19797 1 144 . 1 1 20 20 ASP N N 15 119.72 . . . . . . A 20 ASP N . 19797 1 145 . 1 1 21 21 TYR H H 1 7.86 . . . . . . A 21 TYR H . 19797 1 146 . 1 1 21 21 TYR HA H 1 4.46 . . . . . . A 21 TYR HA . 19797 1 147 . 1 1 21 21 TYR HB2 H 1 3.09 . . . . . . A 21 TYR HB2 . 19797 1 148 . 1 1 21 21 TYR HB3 H 1 3.09 . . . . . . A 21 TYR HB3 . 19797 1 149 . 1 1 21 21 TYR C C 13 175.87 . . . . . . A 21 TYR C . 19797 1 150 . 1 1 21 21 TYR CA C 13 59.13 . . . . . . A 21 TYR CA . 19797 1 151 . 1 1 21 21 TYR CB C 13 40.11 . . . . . . A 21 TYR CB . 19797 1 152 . 1 1 21 21 TYR N N 15 120.49 . . . . . . A 21 TYR N . 19797 1 153 . 1 1 22 22 GLU H H 1 8.06 . . . . . . A 22 GLU H . 19797 1 154 . 1 1 22 22 GLU HA H 1 3.98 . . . . . . A 22 GLU HA . 19797 1 155 . 1 1 22 22 GLU HB2 H 1 2.11 . . . . . . A 22 GLU HB2 . 19797 1 156 . 1 1 22 22 GLU HB3 H 1 2.11 . . . . . . A 22 GLU HB3 . 19797 1 157 . 1 1 22 22 GLU C C 13 176.53 . . . . . . A 22 GLU C . 19797 1 158 . 1 1 22 22 GLU CA C 13 57.24 . . . . . . A 22 GLU CA . 19797 1 159 . 1 1 22 22 GLU CB C 13 30.94 . . . . . . A 22 GLU CB . 19797 1 160 . 1 1 22 22 GLU N N 15 119.82 . . . . . . A 22 GLU N . 19797 1 161 . 1 1 23 23 THR H H 1 7.88 . . . . . . A 23 THR H . 19797 1 162 . 1 1 23 23 THR HA H 1 4.35 . . . . . . A 23 THR HA . 19797 1 163 . 1 1 23 23 THR C C 13 175.29 . . . . . . A 23 THR C . 19797 1 164 . 1 1 23 23 THR CA C 13 63.22 . . . . . . A 23 THR CA . 19797 1 165 . 1 1 23 23 THR CB C 13 69.06 . . . . . . A 23 THR CB . 19797 1 166 . 1 1 23 23 THR N N 15 113.57 . . . . . . A 23 THR N . 19797 1 167 . 1 1 24 24 VAL H H 1 7.84 . . . . . . A 24 VAL H . 19797 1 168 . 1 1 24 24 VAL HA H 1 4.07 . . . . . . A 24 VAL HA . 19797 1 169 . 1 1 24 24 VAL HB H 1 2.23 . . . . . . A 24 VAL HB . 19797 1 170 . 1 1 24 24 VAL C C 13 176.43 . . . . . . A 24 VAL C . 19797 1 171 . 1 1 24 24 VAL CA C 13 63.87 . . . . . . A 24 VAL CA . 19797 1 172 . 1 1 24 24 VAL CB C 13 32.11 . . . . . . A 24 VAL CB . 19797 1 173 . 1 1 24 24 VAL N N 15 120.18 . . . . . . A 24 VAL N . 19797 1 174 . 1 1 25 25 ARG H H 1 8.07 . . . . . . A 25 ARG H . 19797 1 175 . 1 1 25 25 ARG HA H 1 4.34 . . . . . . A 25 ARG HA . 19797 1 176 . 1 1 25 25 ARG HB2 H 1 1.85 . . . . . . A 25 ARG HB2 . 19797 1 177 . 1 1 25 25 ARG HB3 H 1 1.85 . . . . . . A 25 ARG HB3 . 19797 1 178 . 1 1 25 25 ARG C C 13 176.49 . . . . . . A 25 ARG C . 19797 1 179 . 1 1 25 25 ARG CA C 13 57.39 . . . . . . A 25 ARG CA . 19797 1 180 . 1 1 25 25 ARG CB C 13 30.46 . . . . . . A 25 ARG CB . 19797 1 181 . 1 1 25 25 ARG N N 15 120.98 . . . . . . A 25 ARG N . 19797 1 182 . 1 1 26 26 ASN H H 1 8.18 . . . . . . A 26 ASN H . 19797 1 183 . 1 1 26 26 ASN HA H 1 4.12 . . . . . . A 26 ASN HA . 19797 1 184 . 1 1 26 26 ASN HB2 H 1 2.93 . . . . . . A 26 ASN HB2 . 19797 1 185 . 1 1 26 26 ASN HB3 H 1 2.93 . . . . . . A 26 ASN HB3 . 19797 1 186 . 1 1 26 26 ASN C C 13 176.18 . . . . . . A 26 ASN C . 19797 1 187 . 1 1 26 26 ASN CA C 13 54.04 . . . . . . A 26 ASN CA . 19797 1 188 . 1 1 26 26 ASN CB C 13 38.72 . . . . . . A 26 ASN CB . 19797 1 189 . 1 1 26 26 ASN N N 15 117.95 . . . . . . A 26 ASN N . 19797 1 190 . 1 1 27 27 GLY H H 1 8.34 . . . . . . A 27 GLY H . 19797 1 191 . 1 1 27 27 GLY HA2 H 1 3.92 . . . . . . A 27 GLY HA2 . 19797 1 192 . 1 1 27 27 GLY HA3 H 1 3.92 . . . . . . A 27 GLY HA3 . 19797 1 193 . 1 1 27 27 GLY C C 13 174.84 . . . . . . A 27 GLY C . 19797 1 194 . 1 1 27 27 GLY CA C 13 47.02 . . . . . . A 27 GLY CA . 19797 1 195 . 1 1 27 27 GLY N N 15 108.19 . . . . . . A 27 GLY N . 19797 1 196 . 1 1 28 28 GLY H H 1 8.39 . . . . . . A 28 GLY H . 19797 1 197 . 1 1 28 28 GLY HA2 H 1 3.98 . . . . . . A 28 GLY HA2 . 19797 1 198 . 1 1 28 28 GLY HA3 H 1 3.98 . . . . . . A 28 GLY HA3 . 19797 1 199 . 1 1 28 28 GLY C C 13 175.03 . . . . . . A 28 GLY C . 19797 1 200 . 1 1 28 28 GLY CA C 13 47.33 . . . . . . A 28 GLY CA . 19797 1 201 . 1 1 28 28 GLY N N 15 107.97 . . . . . . A 28 GLY N . 19797 1 202 . 1 1 29 29 LEU H H 1 7.96 . . . . . . A 29 LEU H . 19797 1 203 . 1 1 29 29 LEU HA H 1 4.16 . . . . . . A 29 LEU HA . 19797 1 204 . 1 1 29 29 LEU HB2 H 1 1.66 . . . . . . A 29 LEU HB2 . 19797 1 205 . 1 1 29 29 LEU HB3 H 1 1.66 . . . . . . A 29 LEU HB3 . 19797 1 206 . 1 1 29 29 LEU C C 13 178.42 . . . . . . A 29 LEU C . 19797 1 207 . 1 1 29 29 LEU CA C 13 57.89 . . . . . . A 29 LEU CA . 19797 1 208 . 1 1 29 29 LEU CB C 13 41.61 . . . . . . A 29 LEU CB . 19797 1 209 . 1 1 29 29 LEU N N 15 120.29 . . . . . . A 29 LEU N . 19797 1 210 . 1 1 30 30 ILE H H 1 7.82 . . . . . . A 30 ILE H . 19797 1 211 . 1 1 30 30 ILE HA H 1 3.77 . . . . . . A 30 ILE HA . 19797 1 212 . 1 1 30 30 ILE HB H 1 2.04 . . . . . . A 30 ILE HB . 19797 1 213 . 1 1 30 30 ILE C C 13 177.22 . . . . . . A 30 ILE C . 19797 1 214 . 1 1 30 30 ILE CA C 13 65.04 . . . . . . A 30 ILE CA . 19797 1 215 . 1 1 30 30 ILE CB C 13 37.17 . . . . . . A 30 ILE CB . 19797 1 216 . 1 1 30 30 ILE N N 15 117.62 . . . . . . A 30 ILE N . 19797 1 217 . 1 1 31 31 PHE H H 1 8.00 . . . . . . A 31 PHE H . 19797 1 218 . 1 1 31 31 PHE HA H 1 4.27 . . . . . . A 31 PHE HA . 19797 1 219 . 1 1 31 31 PHE HB2 H 1 3.21 . . . . . . A 31 PHE HB2 . 19797 1 220 . 1 1 31 31 PHE HB3 H 1 3.21 . . . . . . A 31 PHE HB3 . 19797 1 221 . 1 1 31 31 PHE C C 13 176.77 . . . . . . A 31 PHE C . 19797 1 222 . 1 1 31 31 PHE CA C 13 61.43 . . . . . . A 31 PHE CA . 19797 1 223 . 1 1 31 31 PHE CB C 13 38.93 . . . . . . A 31 PHE CB . 19797 1 224 . 1 1 31 31 PHE N N 15 118.21 . . . . . . A 31 PHE N . 19797 1 225 . 1 1 32 32 ALA H H 1 8.30 . . . . . . A 32 ALA H . 19797 1 226 . 1 1 32 32 ALA HA H 1 3.96 . . . . . . A 32 ALA HA . 19797 1 227 . 1 1 32 32 ALA HB1 H 1 1.54 . . . . . . A 32 ALA HB1 . 19797 1 228 . 1 1 32 32 ALA HB2 H 1 1.54 . . . . . . A 32 ALA HB2 . 19797 1 229 . 1 1 32 32 ALA HB3 H 1 1.54 . . . . . . A 32 ALA HB3 . 19797 1 230 . 1 1 32 32 ALA C C 13 178.78 . . . . . . A 32 ALA C . 19797 1 231 . 1 1 32 32 ALA CA C 13 55.46 . . . . . . A 32 ALA CA . 19797 1 232 . 1 1 32 32 ALA CB C 13 18.34 . . . . . . A 32 ALA CB . 19797 1 233 . 1 1 32 32 ALA N N 15 119.92 . . . . . . A 32 ALA N . 19797 1 234 . 1 1 33 33 GLY H H 1 8.46 . . . . . . A 33 GLY H . 19797 1 235 . 1 1 33 33 GLY HA2 H 1 3.63 . . . . . . A 33 GLY HA2 . 19797 1 236 . 1 1 33 33 GLY HA3 H 1 3.63 . . . . . . A 33 GLY HA3 . 19797 1 237 . 1 1 33 33 GLY C C 13 174.77 . . . . . . A 33 GLY C . 19797 1 238 . 1 1 33 33 GLY CA C 13 47.59 . . . . . . A 33 GLY CA . 19797 1 239 . 1 1 33 33 GLY N N 15 103.76 . . . . . . A 33 GLY N . 19797 1 240 . 1 1 34 34 LEU H H 1 8.38 . . . . . . A 34 LEU H . 19797 1 241 . 1 1 34 34 LEU HA H 1 4.11 . . . . . . A 34 LEU HA . 19797 1 242 . 1 1 34 34 LEU HB2 H 1 1.83 . . . . . . A 34 LEU HB2 . 19797 1 243 . 1 1 34 34 LEU HB3 H 1 1.83 . . . . . . A 34 LEU HB3 . 19797 1 244 . 1 1 34 34 LEU C C 13 177.97 . . . . . . A 34 LEU C . 19797 1 245 . 1 1 34 34 LEU CA C 13 57.82 . . . . . . A 34 LEU CA . 19797 1 246 . 1 1 34 34 LEU CB C 13 42.12 . . . . . . A 34 LEU CB . 19797 1 247 . 1 1 34 34 LEU N N 15 120.97 . . . . . . A 34 LEU N . 19797 1 248 . 1 1 35 35 ALA H H 1 8.45 . . . . . . A 35 ALA H . 19797 1 249 . 1 1 35 35 ALA HA H 1 3.83 . . . . . . A 35 ALA HA . 19797 1 250 . 1 1 35 35 ALA HB1 H 1 1.33 . . . . . . A 35 ALA HB1 . 19797 1 251 . 1 1 35 35 ALA HB2 H 1 1.33 . . . . . . A 35 ALA HB2 . 19797 1 252 . 1 1 35 35 ALA HB3 H 1 1.33 . . . . . . A 35 ALA HB3 . 19797 1 253 . 1 1 35 35 ALA C C 13 178.71 . . . . . . A 35 ALA C . 19797 1 254 . 1 1 35 35 ALA CA C 13 55.58 . . . . . . A 35 ALA CA . 19797 1 255 . 1 1 35 35 ALA CB C 13 17.62 . . . . . . A 35 ALA CB . 19797 1 256 . 1 1 35 35 ALA N N 15 120.35 . . . . . . A 35 ALA N . 19797 1 257 . 1 1 36 36 PHE H H 1 8.28 . . . . . . A 36 PHE H . 19797 1 258 . 1 1 36 36 PHE HA H 1 4.17 . . . . . . A 36 PHE HA . 19797 1 259 . 1 1 36 36 PHE HB2 H 1 3.36 . . . . . . A 36 PHE HB2 . 19797 1 260 . 1 1 36 36 PHE HB3 H 1 3.36 . . . . . . A 36 PHE HB3 . 19797 1 261 . 1 1 36 36 PHE C C 13 174.17 . . . . . . A 36 PHE C . 19797 1 262 . 1 1 36 36 PHE CA C 13 61.47 . . . . . . A 36 PHE CA . 19797 1 263 . 1 1 36 36 PHE CB C 13 39.49 . . . . . . A 36 PHE CB . 19797 1 264 . 1 1 36 36 PHE N N 15 116.68 . . . . . . A 36 PHE N . 19797 1 265 . 1 1 37 37 ILE H H 1 8.18 . . . . . . A 37 ILE H . 19797 1 266 . 1 1 37 37 ILE HA H 1 3.60 . . . . . . A 37 ILE HA . 19797 1 267 . 1 1 37 37 ILE HB H 1 2.17 . . . . . . A 37 ILE HB . 19797 1 268 . 1 1 37 37 ILE C C 13 177.47 . . . . . . A 37 ILE C . 19797 1 269 . 1 1 37 37 ILE CA C 13 64.91 . . . . . . A 37 ILE CA . 19797 1 270 . 1 1 37 37 ILE N N 15 117.95 . . . . . . A 37 ILE N . 19797 1 271 . 1 1 38 38 VAL H H 1 8.59 . . . . . . A 38 VAL H . 19797 1 272 . 1 1 38 38 VAL HA H 1 3.51 . . . . . . A 38 VAL HA . 19797 1 273 . 1 1 38 38 VAL C C 13 177.87 . . . . . . A 38 VAL C . 19797 1 274 . 1 1 38 38 VAL CA C 13 67.65 . . . . . . A 38 VAL CA . 19797 1 275 . 1 1 38 38 VAL N N 15 119.23 . . . . . . A 38 VAL N . 19797 1 276 . 1 1 39 39 GLY H H 1 8.70 . . . . . . A 39 GLY H . 19797 1 277 . 1 1 39 39 GLY HA2 H 1 3.61 . . . . . . A 39 GLY HA2 . 19797 1 278 . 1 1 39 39 GLY HA3 H 1 3.61 . . . . . . A 39 GLY HA3 . 19797 1 279 . 1 1 39 39 GLY C C 13 174.73 . . . . . . A 39 GLY C . 19797 1 280 . 1 1 39 39 GLY CA C 13 48.11 . . . . . . A 39 GLY CA . 19797 1 281 . 1 1 39 39 GLY N N 15 106.73 . . . . . . A 39 GLY N . 19797 1 282 . 1 1 40 40 LEU H H 1 8.46 . . . . . . A 40 LEU H . 19797 1 283 . 1 1 40 40 LEU HA H 1 4.00 . . . . . . A 40 LEU HA . 19797 1 284 . 1 1 40 40 LEU HB2 H 1 1.61 . . . . . . A 40 LEU HB2 . 19797 1 285 . 1 1 40 40 LEU HB3 H 1 1.61 . . . . . . A 40 LEU HB3 . 19797 1 286 . 1 1 40 40 LEU C C 13 178.72 . . . . . . A 40 LEU C . 19797 1 287 . 1 1 40 40 LEU CA C 13 58.41 . . . . . . A 40 LEU CA . 19797 1 288 . 1 1 40 40 LEU CB C 13 41.32 . . . . . . A 40 LEU CB . 19797 1 289 . 1 1 40 40 LEU N N 15 121.45 . . . . . . A 40 LEU N . 19797 1 290 . 1 1 41 41 LEU H H 1 8.40 . . . . . . A 41 LEU H . 19797 1 291 . 1 1 41 41 LEU HA H 1 4.07 . . . . . . A 41 LEU HA . 19797 1 292 . 1 1 41 41 LEU HB2 H 1 2.07 . . . . . . A 41 LEU HB2 . 19797 1 293 . 1 1 41 41 LEU HB3 H 1 2.07 . . . . . . A 41 LEU HB3 . 19797 1 294 . 1 1 41 41 LEU C C 13 180.01 . . . . . . A 41 LEU C . 19797 1 295 . 1 1 41 41 LEU CA C 13 58.53 . . . . . . A 41 LEU CA . 19797 1 296 . 1 1 41 41 LEU CB C 13 41.34 . . . . . . A 41 LEU CB . 19797 1 297 . 1 1 41 41 LEU N N 15 118.70 . . . . . . A 41 LEU N . 19797 1 298 . 1 1 42 42 ILE H H 1 8.63 . . . . . . A 42 ILE H . 19797 1 299 . 1 1 42 42 ILE HA H 1 3.64 . . . . . . A 42 ILE HA . 19797 1 300 . 1 1 42 42 ILE C C 13 178.57 . . . . . . A 42 ILE C . 19797 1 301 . 1 1 42 42 ILE CA C 13 66.12 . . . . . . A 42 ILE CA . 19797 1 302 . 1 1 42 42 ILE N N 15 120.89 . . . . . . A 42 ILE N . 19797 1 303 . 1 1 43 43 LEU H H 1 8.44 . . . . . . A 43 LEU H . 19797 1 304 . 1 1 43 43 LEU HA H 1 3.98 . . . . . . A 43 LEU HA . 19797 1 305 . 1 1 43 43 LEU HB2 H 1 1.65 . . . . . . A 43 LEU HB2 . 19797 1 306 . 1 1 43 43 LEU HB3 H 1 1.65 . . . . . . A 43 LEU HB3 . 19797 1 307 . 1 1 43 43 LEU C C 13 179.71 . . . . . . A 43 LEU C . 19797 1 308 . 1 1 43 43 LEU CA C 13 58.68 . . . . . . A 43 LEU CA . 19797 1 309 . 1 1 43 43 LEU CB C 13 42.23 . . . . . . A 43 LEU CB . 19797 1 310 . 1 1 43 43 LEU N N 15 121.16 . . . . . . A 43 LEU N . 19797 1 311 . 1 1 44 44 LEU H H 1 9.01 . . . . . . A 44 LEU H . 19797 1 312 . 1 1 44 44 LEU HA H 1 4.11 . . . . . . A 44 LEU HA . 19797 1 313 . 1 1 44 44 LEU HB2 H 1 1.60 . . . . . . A 44 LEU HB2 . 19797 1 314 . 1 1 44 44 LEU HB3 H 1 1.60 . . . . . . A 44 LEU HB3 . 19797 1 315 . 1 1 44 44 LEU C C 13 179.20 . . . . . . A 44 LEU C . 19797 1 316 . 1 1 44 44 LEU CA C 13 58.32 . . . . . . A 44 LEU CA . 19797 1 317 . 1 1 44 44 LEU CB C 13 41.58 . . . . . . A 44 LEU CB . 19797 1 318 . 1 1 44 44 LEU N N 15 118.62 . . . . . . A 44 LEU N . 19797 1 319 . 1 1 45 45 SER H H 1 8.51 . . . . . . A 45 SER H . 19797 1 320 . 1 1 45 45 SER HA H 1 4.17 . . . . . . A 45 SER HA . 19797 1 321 . 1 1 45 45 SER C C 13 174.86 . . . . . . A 45 SER C . 19797 1 322 . 1 1 45 45 SER CA C 13 62.49 . . . . . . A 45 SER CA . 19797 1 323 . 1 1 45 45 SER N N 15 114.64 . . . . . . A 45 SER N . 19797 1 324 . 1 1 46 46 ARG H H 1 8.24 . . . . . . A 46 ARG H . 19797 1 325 . 1 1 46 46 ARG HA H 1 4.44 . . . . . . A 46 ARG HA . 19797 1 326 . 1 1 46 46 ARG HB2 H 1 1.98 . . . . . . A 46 ARG HB2 . 19797 1 327 . 1 1 46 46 ARG HB3 H 1 1.98 . . . . . . A 46 ARG HB3 . 19797 1 328 . 1 1 46 46 ARG C C 13 178.87 . . . . . . A 46 ARG C . 19797 1 329 . 1 1 46 46 ARG CA C 13 59.31 . . . . . . A 46 ARG CA . 19797 1 330 . 1 1 46 46 ARG N N 15 121.41 . . . . . . A 46 ARG N . 19797 1 331 . 1 1 47 47 ARG H H 1 8.07 . . . . . . A 47 ARG H . 19797 1 332 . 1 1 47 47 ARG HA H 1 4.21 . . . . . . A 47 ARG HA . 19797 1 333 . 1 1 47 47 ARG HB2 H 1 1.83 . . . . . . A 47 ARG HB2 . 19797 1 334 . 1 1 47 47 ARG HB3 H 1 1.83 . . . . . . A 47 ARG HB3 . 19797 1 335 . 1 1 47 47 ARG C C 13 178.12 . . . . . . A 47 ARG C . 19797 1 336 . 1 1 47 47 ARG CA C 13 58.01 . . . . . . A 47 ARG CA . 19797 1 337 . 1 1 47 47 ARG N N 15 118.11 . . . . . . A 47 ARG N . 19797 1 338 . 1 1 48 48 PHE H H 1 8.25 . . . . . . A 48 PHE H . 19797 1 339 . 1 1 48 48 PHE HA H 1 4.69 . . . . . . A 48 PHE HA . 19797 1 340 . 1 1 48 48 PHE HB2 H 1 3.39 . . . . . . A 48 PHE HB2 . 19797 1 341 . 1 1 48 48 PHE HB3 H 1 3.39 . . . . . . A 48 PHE HB3 . 19797 1 342 . 1 1 48 48 PHE C C 13 176.74 . . . . . . A 48 PHE C . 19797 1 343 . 1 1 48 48 PHE CA C 13 59.63 . . . . . . A 48 PHE CA . 19797 1 344 . 1 1 48 48 PHE CB C 13 38.75 . . . . . . A 48 PHE CB . 19797 1 345 . 1 1 48 48 PHE N N 15 117.12 . . . . . . A 48 PHE N . 19797 1 346 . 1 1 49 49 ARG H H 1 8.13 . . . . . . A 49 ARG H . 19797 1 347 . 1 1 49 49 ARG HA H 1 4.47 . . . . . . A 49 ARG HA . 19797 1 348 . 1 1 49 49 ARG HB2 H 1 1.89 . . . . . . A 49 ARG HB2 . 19797 1 349 . 1 1 49 49 ARG HB3 H 1 1.89 . . . . . . A 49 ARG HB3 . 19797 1 350 . 1 1 49 49 ARG C C 13 177.08 . . . . . . A 49 ARG C . 19797 1 351 . 1 1 49 49 ARG CA C 13 57.40 . . . . . . A 49 ARG CA . 19797 1 352 . 1 1 49 49 ARG CB C 13 28.85 . . . . . . A 49 ARG CB . 19797 1 353 . 1 1 49 49 ARG N N 15 118.64 . . . . . . A 49 ARG N . 19797 1 354 . 1 1 50 50 SER H H 1 8.15 . . . . . . A 50 SER H . 19797 1 355 . 1 1 50 50 SER HA H 1 4.53 . . . . . . A 50 SER HA . 19797 1 356 . 1 1 50 50 SER HB2 H 1 4.05 . . . . . . A 50 SER HB2 . 19797 1 357 . 1 1 50 50 SER HB3 H 1 4.05 . . . . . . A 50 SER HB3 . 19797 1 358 . 1 1 50 50 SER C C 13 175.65 . . . . . . A 50 SER C . 19797 1 359 . 1 1 50 50 SER CA C 13 59.26 . . . . . . A 50 SER CA . 19797 1 360 . 1 1 50 50 SER CB C 13 63.95 . . . . . . A 50 SER CB . 19797 1 361 . 1 1 50 50 SER N N 15 115.03 . . . . . . A 50 SER N . 19797 1 362 . 1 1 51 51 GLY H H 1 8.21 . . . . . . A 51 GLY H . 19797 1 363 . 1 1 51 51 GLY HA2 H 1 4.09 . . . . . . A 51 GLY HA2 . 19797 1 364 . 1 1 51 51 GLY HA3 H 1 4.09 . . . . . . A 51 GLY HA3 . 19797 1 365 . 1 1 51 51 GLY C C 13 174.88 . . . . . . A 51 GLY C . 19797 1 366 . 1 1 51 51 GLY CA C 13 45.87 . . . . . . A 51 GLY CA . 19797 1 367 . 1 1 51 51 GLY N N 15 110.28 . . . . . . A 51 GLY N . 19797 1 368 . 1 1 52 52 GLY H H 1 8.19 . . . . . . A 52 GLY H . 19797 1 369 . 1 1 52 52 GLY HA2 H 1 4.03 . . . . . . A 52 GLY HA2 . 19797 1 370 . 1 1 52 52 GLY HA3 H 1 4.03 . . . . . . A 52 GLY HA3 . 19797 1 371 . 1 1 52 52 GLY C C 13 174.09 . . . . . . A 52 GLY C . 19797 1 372 . 1 1 52 52 GLY CA C 13 45.58 . . . . . . A 52 GLY CA . 19797 1 373 . 1 1 52 52 GLY N N 15 108.12 . . . . . . A 52 GLY N . 19797 1 374 . 1 1 53 53 ASN H H 1 8.22 . . . . . . A 53 ASN H . 19797 1 375 . 1 1 53 53 ASN HA H 1 4.76 . . . . . . A 53 ASN HA . 19797 1 376 . 1 1 53 53 ASN HB2 H 1 2.84 . . . . . . A 53 ASN HB2 . 19797 1 377 . 1 1 53 53 ASN HB3 H 1 2.84 . . . . . . A 53 ASN HB3 . 19797 1 378 . 1 1 53 53 ASN C C 13 175.16 . . . . . . A 53 ASN C . 19797 1 379 . 1 1 53 53 ASN CA C 13 53.66 . . . . . . A 53 ASN CA . 19797 1 380 . 1 1 53 53 ASN CB C 13 39.17 . . . . . . A 53 ASN CB . 19797 1 381 . 1 1 53 53 ASN N N 15 118.24 . . . . . . A 53 ASN N . 19797 1 382 . 1 1 54 54 LYS H H 1 8.18 . . . . . . A 54 LYS H . 19797 1 383 . 1 1 54 54 LYS HA H 1 4.37 . . . . . . A 54 LYS HA . 19797 1 384 . 1 1 54 54 LYS HB2 H 1 1.85 . . . . . . A 54 LYS HB2 . 19797 1 385 . 1 1 54 54 LYS HB3 H 1 1.85 . . . . . . A 54 LYS HB3 . 19797 1 386 . 1 1 54 54 LYS C C 13 176.41 . . . . . . A 54 LYS C . 19797 1 387 . 1 1 54 54 LYS CA C 13 56.42 . . . . . . A 54 LYS CA . 19797 1 388 . 1 1 54 54 LYS CB C 13 29.79 . . . . . . A 54 LYS CB . 19797 1 389 . 1 1 54 54 LYS N N 15 120.89 . . . . . . A 54 LYS N . 19797 1 390 . 1 1 55 55 LYS H H 1 8.14 . . . . . . A 55 LYS H . 19797 1 391 . 1 1 55 55 LYS HA H 1 4.37 . . . . . . A 55 LYS HA . 19797 1 392 . 1 1 55 55 LYS HB2 H 1 1.87 . . . . . . A 55 LYS HB2 . 19797 1 393 . 1 1 55 55 LYS HB3 H 1 1.87 . . . . . . A 55 LYS HB3 . 19797 1 394 . 1 1 55 55 LYS C C 13 176.73 . . . . . . A 55 LYS C . 19797 1 395 . 1 1 55 55 LYS CA C 13 56.62 . . . . . . A 55 LYS CA . 19797 1 396 . 1 1 55 55 LYS CB C 13 33.01 . . . . . . A 55 LYS CB . 19797 1 397 . 1 1 55 55 LYS N N 15 121.25 . . . . . . A 55 LYS N . 19797 1 398 . 1 1 56 56 ARG H H 1 8.11 . . . . . . A 56 ARG H . 19797 1 399 . 1 1 56 56 ARG HA H 1 4.40 . . . . . . A 56 ARG HA . 19797 1 400 . 1 1 56 56 ARG HB2 H 1 1.90 . . . . . . A 56 ARG HB2 . 19797 1 401 . 1 1 56 56 ARG HB3 H 1 1.90 . . . . . . A 56 ARG HB3 . 19797 1 402 . 1 1 56 56 ARG C C 13 175.87 . . . . . . A 56 ARG C . 19797 1 403 . 1 1 56 56 ARG CA C 13 56.70 . . . . . . A 56 ARG CA . 19797 1 404 . 1 1 56 56 ARG CB C 13 31.13 . . . . . . A 56 ARG CB . 19797 1 405 . 1 1 56 56 ARG N N 15 120.30 . . . . . . A 56 ARG N . 19797 1 406 . 1 1 57 57 ARG H H 1 8.01 . . . . . . A 57 ARG H . 19797 1 407 . 1 1 57 57 ARG HA H 1 4.36 . . . . . . A 57 ARG HA . 19797 1 408 . 1 1 57 57 ARG HB2 H 1 1.88 . . . . . . A 57 ARG HB2 . 19797 1 409 . 1 1 57 57 ARG HB3 H 1 1.88 . . . . . . A 57 ARG HB3 . 19797 1 410 . 1 1 57 57 ARG C C 13 175.94 . . . . . . A 57 ARG C . 19797 1 411 . 1 1 57 57 ARG CA C 13 56.37 . . . . . . A 57 ARG CA . 19797 1 412 . 1 1 57 57 ARG CB C 13 30.97 . . . . . . A 57 ARG CB . 19797 1 413 . 1 1 57 57 ARG N N 15 119.15 . . . . . . A 57 ARG N . 19797 1 414 . 1 1 58 58 GLN H H 1 8.12 . . . . . . A 58 GLN H . 19797 1 415 . 1 1 58 58 GLN HA H 1 4.40 . . . . . . A 58 GLN HA . 19797 1 416 . 1 1 58 58 GLN HB2 H 1 2.06 . . . . . . A 58 GLN HB2 . 19797 1 417 . 1 1 58 58 GLN HB3 H 1 2.06 . . . . . . A 58 GLN HB3 . 19797 1 418 . 1 1 58 58 GLN C C 13 175.93 . . . . . . A 58 GLN C . 19797 1 419 . 1 1 58 58 GLN CA C 13 55.81 . . . . . . A 58 GLN CA . 19797 1 420 . 1 1 58 58 GLN CB C 13 29.79 . . . . . . A 58 GLN CB . 19797 1 421 . 1 1 58 58 GLN N N 15 119.98 . . . . . . A 58 GLN N . 19797 1 422 . 1 1 59 59 ILE H H 1 8.06 . . . . . . A 59 ILE H . 19797 1 423 . 1 1 59 59 ILE HA H 1 4.20 . . . . . . A 59 ILE HA . 19797 1 424 . 1 1 59 59 ILE HB H 1 1.93 . . . . . . A 59 ILE HB . 19797 1 425 . 1 1 59 59 ILE C C 13 175.93 . . . . . . A 59 ILE C . 19797 1 426 . 1 1 59 59 ILE CA C 13 61.56 . . . . . . A 59 ILE CA . 19797 1 427 . 1 1 59 59 ILE CB C 13 38.81 . . . . . . A 59 ILE CB . 19797 1 428 . 1 1 59 59 ILE N N 15 121.47 . . . . . . A 59 ILE N . 19797 1 429 . 1 1 60 60 ASN H H 1 8.41 . . . . . . A 60 ASN H . 19797 1 430 . 1 1 60 60 ASN HA H 1 4.81 . . . . . . A 60 ASN HA . 19797 1 431 . 1 1 60 60 ASN HB2 H 1 2.85 . . . . . . A 60 ASN HB2 . 19797 1 432 . 1 1 60 60 ASN HB3 H 1 2.85 . . . . . . A 60 ASN HB3 . 19797 1 433 . 1 1 60 60 ASN C C 13 175.09 . . . . . . A 60 ASN C . 19797 1 434 . 1 1 60 60 ASN CA C 13 53.46 . . . . . . A 60 ASN CA . 19797 1 435 . 1 1 60 60 ASN CB C 13 39.26 . . . . . . A 60 ASN CB . 19797 1 436 . 1 1 60 60 ASN N N 15 122.18 . . . . . . A 60 ASN N . 19797 1 437 . 1 1 61 61 GLU H H 1 8.36 . . . . . . A 61 GLU H . 19797 1 438 . 1 1 61 61 GLU HA H 1 4.40 . . . . . . A 61 GLU HA . 19797 1 439 . 1 1 61 61 GLU HB2 H 1 2.00 . . . . . . A 61 GLU HB2 . 19797 1 440 . 1 1 61 61 GLU HB3 H 1 2.00 . . . . . . A 61 GLU HB3 . 19797 1 441 . 1 1 61 61 GLU C C 13 175.83 . . . . . . A 61 GLU C . 19797 1 442 . 1 1 61 61 GLU CA C 13 56.11 . . . . . . A 61 GLU CA . 19797 1 443 . 1 1 61 61 GLU CB C 13 29.75 . . . . . . A 61 GLU CB . 19797 1 444 . 1 1 61 61 GLU N N 15 121.65 . . . . . . A 61 GLU N . 19797 1 445 . 1 1 62 62 ASP H H 1 8.35 . . . . . . A 62 ASP H . 19797 1 446 . 1 1 62 62 ASP HA H 1 4.68 . . . . . . A 62 ASP HA . 19797 1 447 . 1 1 62 62 ASP HB2 H 1 2.72 . . . . . . A 62 ASP HB2 . 19797 1 448 . 1 1 62 62 ASP HB3 H 1 2.72 . . . . . . A 62 ASP HB3 . 19797 1 449 . 1 1 62 62 ASP C C 13 175.93 . . . . . . A 62 ASP C . 19797 1 450 . 1 1 62 62 ASP CA C 13 54.10 . . . . . . A 62 ASP CA . 19797 1 451 . 1 1 62 62 ASP CB C 13 40.61 . . . . . . A 62 ASP CB . 19797 1 452 . 1 1 62 62 ASP N N 15 121.23 . . . . . . A 62 ASP N . 19797 1 453 . 1 1 63 63 GLU H H 1 8.14 . . . . . . A 63 GLU H . 19797 1 454 . 1 1 63 63 GLU HA H 1 4.69 . . . . . . A 63 GLU HA . 19797 1 455 . 1 1 63 63 GLU HB2 H 1 1.98 . . . . . . A 63 GLU HB2 . 19797 1 456 . 1 1 63 63 GLU HB3 H 1 1.98 . . . . . . A 63 GLU HB3 . 19797 1 457 . 1 1 63 63 GLU CA C 13 53.91 . . . . . . A 63 GLU CA . 19797 1 458 . 1 1 63 63 GLU N N 15 122.18 . . . . . . A 63 GLU N . 19797 1 stop_ save_