data_25935 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25935 _Entry.Title ; Membrane-bound mouse CD28 cytoplasmic tail ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-12-23 _Entry.Accession_date 2015-12-23 _Entry.Last_release_date 2016-01-13 _Entry.Original_release_date 2016-01-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Hua Li . . . . 25935 2 Chenqi Xu . . . . 25935 3 Weiling Pan . . . . 25935 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' . 25935 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CD28 . 25935 TCR . 25935 bicelle . 25935 costimulation . 25935 'membrane bound protein' . 25935 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25935 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 188 25935 '15N chemical shifts' 48 25935 '1H chemical shifts' 308 25935 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 . . 2016-12-15 . original BMRB . 25935 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2NAE 'BMRB Entry Tracking System' 25935 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25935 _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 ; Membrane-bound mouse CD28 cytoplasmic tail ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Hua Li . . . . 25935 1 2 Chenqi Xu . . . . 25935 1 3 Weiling Pan . . . . 25935 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25935 _Assembly.ID 1 _Assembly.Name 'Membrane-bound mouse CD28 cytoplasmic tail' _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 entity 1 $entity A . yes native no no . . . 25935 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25935 _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 ; GTNSRRNRLLQSDYMNMTPR RPGLTRKPYQPYAPARDFAA YRP ; _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 43 _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 5093.833 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 25935 1 2 . THR . 25935 1 3 . ASN . 25935 1 4 . SER . 25935 1 5 . ARG . 25935 1 6 . ARG . 25935 1 7 . ASN . 25935 1 8 . ARG . 25935 1 9 . LEU . 25935 1 10 . LEU . 25935 1 11 . GLN . 25935 1 12 . SER . 25935 1 13 . ASP . 25935 1 14 . TYR . 25935 1 15 . MET . 25935 1 16 . ASN . 25935 1 17 . MET . 25935 1 18 . THR . 25935 1 19 . PRO . 25935 1 20 . ARG . 25935 1 21 . ARG . 25935 1 22 . PRO . 25935 1 23 . GLY . 25935 1 24 . LEU . 25935 1 25 . THR . 25935 1 26 . ARG . 25935 1 27 . LYS . 25935 1 28 . PRO . 25935 1 29 . TYR . 25935 1 30 . GLN . 25935 1 31 . PRO . 25935 1 32 . TYR . 25935 1 33 . ALA . 25935 1 34 . PRO . 25935 1 35 . ALA . 25935 1 36 . ARG . 25935 1 37 . ASP . 25935 1 38 . PHE . 25935 1 39 . ALA . 25935 1 40 . ALA . 25935 1 41 . TYR . 25935 1 42 . ARG . 25935 1 43 . PRO . 25935 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25935 1 . THR 2 2 25935 1 . ASN 3 3 25935 1 . SER 4 4 25935 1 . ARG 5 5 25935 1 . ARG 6 6 25935 1 . ASN 7 7 25935 1 . ARG 8 8 25935 1 . LEU 9 9 25935 1 . LEU 10 10 25935 1 . GLN 11 11 25935 1 . SER 12 12 25935 1 . ASP 13 13 25935 1 . TYR 14 14 25935 1 . MET 15 15 25935 1 . ASN 16 16 25935 1 . MET 17 17 25935 1 . THR 18 18 25935 1 . PRO 19 19 25935 1 . ARG 20 20 25935 1 . ARG 21 21 25935 1 . PRO 22 22 25935 1 . GLY 23 23 25935 1 . LEU 24 24 25935 1 . THR 25 25 25935 1 . ARG 26 26 25935 1 . LYS 27 27 25935 1 . PRO 28 28 25935 1 . TYR 29 29 25935 1 . GLN 30 30 25935 1 . PRO 31 31 25935 1 . TYR 32 32 25935 1 . ALA 33 33 25935 1 . PRO 34 34 25935 1 . ALA 35 35 25935 1 . ARG 36 36 25935 1 . ASP 37 37 25935 1 . PHE 38 38 25935 1 . ALA 39 39 25935 1 . ALA 40 40 25935 1 . TYR 41 41 25935 1 . ARG 42 42 25935 1 . PRO 43 43 25935 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 25935 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 25935 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 25935 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-41a(+) . . . 25935 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25935 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 mCD28CD '[U-13C; U-15N]' . . 1 $entity . . 0.5 . . mM . . . . 25935 1 2 POPG 'natural abundance' . . . . . . 100 . . mM . . . . 25935 1 3 DHPC 'natural abundance' . . . . . . 125 . . mM . . . . 25935 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25935 1 5 D2O [U-2H] . . . . . . 10 . . % . . . . 25935 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25935 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 25935 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 25935 1 pH 6.7 . pH 25935 1 pressure 1 . atm 25935 1 temperature 300 . K 25935 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25935 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25935 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25935 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25935 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25935 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25935 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 25935 _Software.ID 3 _Software.Name NMRView _Software.Version 5.2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 25935 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25935 3 stop_ save_ save_KUJIRA _Software.Sf_category software _Software.Sf_framecode KUJIRA _Software.Entry_ID 25935 _Software.ID 4 _Software.Name KUJIRA _Software.Version 0.9843 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Naohiro Kobayashi' . . 25935 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25935 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25935 _Software.ID 5 _Software.Name X-PLOR_NIH _Software.Version 2.32 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25935 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25935 5 'structure solution' 25935 5 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 25935 _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 25935 _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 . . . 25935 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 25935 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25935 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25935 1 3 '3D 1H-15N NOESY (NOEs to lipid)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25935 1 4 '3D 1H-13C NOESY (methyl; double 13C-filter)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25935 1 5 '2D 1H-13C NOESY (aromatic; double 13C-filter)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25935 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25935 1 7 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25935 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25935 1 9 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25935 1 10 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25935 1 11 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25935 1 12 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25935 1 13 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25935 1 14 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25935 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 25935 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 na protons . . . . ppm 30.219 internal indirect 0.251449530 . . . . . 25935 1 H 1 water protons . . . . ppm 4.754 internal direct 1.0 . . . . . 25935 1 N 15 na protons . . . . ppm 118.561 internal indirect 0.101329118 . . . . . 25935 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 25935 _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 '3D 1H-15N NOESY' . . . 25935 1 2 '3D 1H-13C NOESY' . . . 25935 1 6 '2D 1H-15N HSQC' . . . 25935 1 7 '2D 1H-13C HSQC' . . . 25935 1 8 '3D HNCO' . . . 25935 1 9 '3D HNCA' . . . 25935 1 10 '3D HNCACB' . . . 25935 1 11 '3D CBCA(CO)NH' . . . 25935 1 12 '3D C(CO)NH' . . . 25935 1 13 '3D HBHA(CO)NH' . . . 25935 1 14 '3D HCCH-TOCSY' . . . 25935 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 GLY HA2 H 1 3.887 0.030 . 1 . . . A 1 GLY HA2 . 25935 1 2 . 1 1 1 1 GLY HA3 H 1 3.887 0.030 . 1 . . . A 1 GLY HA3 . 25935 1 3 . 1 1 1 1 GLY CA C 13 43.245 0.300 . 1 . . . A 1 GLY CA . 25935 1 4 . 1 1 2 2 THR HA H 1 4.290 0.030 . 1 . . . A 2 THR HA . 25935 1 5 . 1 1 2 2 THR HB H 1 4.162 0.030 . 1 . . . A 2 THR HB . 25935 1 6 . 1 1 2 2 THR HG21 H 1 1.187 0.030 . 1 . . . A 2 THR HG21 . 25935 1 7 . 1 1 2 2 THR HG22 H 1 1.187 0.030 . 1 . . . A 2 THR HG22 . 25935 1 8 . 1 1 2 2 THR HG23 H 1 1.187 0.030 . 1 . . . A 2 THR HG23 . 25935 1 9 . 1 1 2 2 THR C C 13 174.565 0.300 . 1 . . . A 2 THR C . 25935 1 10 . 1 1 2 2 THR CA C 13 62.413 0.300 . 1 . . . A 2 THR CA . 25935 1 11 . 1 1 2 2 THR CB C 13 69.752 0.300 . 1 . . . A 2 THR CB . 25935 1 12 . 1 1 2 2 THR CG2 C 13 21.655 0.300 . 1 . . . A 2 THR CG2 . 25935 1 13 . 1 1 3 3 ASN H H 1 8.656 0.030 . 1 . . . A 3 ASN H . 25935 1 14 . 1 1 3 3 ASN HA H 1 4.762 0.030 . 1 . . . A 3 ASN HA . 25935 1 15 . 1 1 3 3 ASN HB2 H 1 2.786 0.030 . 2 . . . A 3 ASN HB2 . 25935 1 16 . 1 1 3 3 ASN HB3 H 1 2.873 0.030 . 2 . . . A 3 ASN HB3 . 25935 1 17 . 1 1 3 3 ASN HD21 H 1 7.673 0.030 . 2 . . . A 3 ASN HD21 . 25935 1 18 . 1 1 3 3 ASN HD22 H 1 6.961 0.030 . 2 . . . A 3 ASN HD22 . 25935 1 19 . 1 1 3 3 ASN C C 13 175.242 0.300 . 1 . . . A 3 ASN C . 25935 1 20 . 1 1 3 3 ASN CA C 13 53.218 0.300 . 1 . . . A 3 ASN CA . 25935 1 21 . 1 1 3 3 ASN CB C 13 38.850 0.300 . 1 . . . A 3 ASN CB . 25935 1 22 . 1 1 3 3 ASN N N 15 120.932 0.300 . 1 . . . A 3 ASN N . 25935 1 23 . 1 1 3 3 ASN ND2 N 15 113.193 0.300 . 1 . . . A 3 ASN ND2 . 25935 1 24 . 1 1 4 4 SER H H 1 8.245 0.030 . 1 . . . A 4 SER H . 25935 1 25 . 1 1 4 4 SER HA H 1 4.416 0.030 . 1 . . . A 4 SER HA . 25935 1 26 . 1 1 4 4 SER HB2 H 1 3.882 0.030 . 2 . . . A 4 SER HB2 . 25935 1 27 . 1 1 4 4 SER HB3 H 1 3.967 0.030 . 2 . . . A 4 SER HB3 . 25935 1 28 . 1 1 4 4 SER C C 13 174.898 0.300 . 1 . . . A 4 SER C . 25935 1 29 . 1 1 4 4 SER CA C 13 58.770 0.300 . 1 . . . A 4 SER CA . 25935 1 30 . 1 1 4 4 SER CB C 13 63.814 0.300 . 1 . . . A 4 SER CB . 25935 1 31 . 1 1 4 4 SER N N 15 116.478 0.300 . 1 . . . A 4 SER N . 25935 1 32 . 1 1 5 5 ARG H H 1 8.611 0.030 . 1 . . . A 5 ARG H . 25935 1 33 . 1 1 5 5 ARG HA H 1 4.216 0.030 . 1 . . . A 5 ARG HA . 25935 1 34 . 1 1 5 5 ARG HB2 H 1 1.832 0.030 . 1 . . . A 5 ARG HB2 . 25935 1 35 . 1 1 5 5 ARG HB3 H 1 1.832 0.030 . 1 . . . A 5 ARG HB3 . 25935 1 36 . 1 1 5 5 ARG HG2 H 1 1.645 0.030 . 2 . . . A 5 ARG HG2 . 25935 1 37 . 1 1 5 5 ARG HG3 H 1 1.693 0.030 . 2 . . . A 5 ARG HG3 . 25935 1 38 . 1 1 5 5 ARG HD2 H 1 3.197 0.030 . 1 . . . A 5 ARG HD2 . 25935 1 39 . 1 1 5 5 ARG HD3 H 1 3.197 0.030 . 1 . . . A 5 ARG HD3 . 25935 1 40 . 1 1 5 5 ARG HE H 1 7.441 0.030 . 1 . . . A 5 ARG HE . 25935 1 41 . 1 1 5 5 ARG C C 13 176.918 0.300 . 1 . . . A 5 ARG C . 25935 1 42 . 1 1 5 5 ARG CA C 13 57.083 0.300 . 1 . . . A 5 ARG CA . 25935 1 43 . 1 1 5 5 ARG CB C 13 30.485 0.300 . 1 . . . A 5 ARG CB . 25935 1 44 . 1 1 5 5 ARG CG C 13 27.430 0.300 . 1 . . . A 5 ARG CG . 25935 1 45 . 1 1 5 5 ARG CD C 13 43.500 0.300 . 1 . . . A 5 ARG CD . 25935 1 46 . 1 1 5 5 ARG N N 15 123.273 0.300 . 1 . . . A 5 ARG N . 25935 1 47 . 1 1 5 5 ARG NE N 15 84.527 0.300 . 1 . . . A 5 ARG NE . 25935 1 48 . 1 1 6 6 ARG H H 1 8.390 0.030 . 1 . . . A 6 ARG H . 25935 1 49 . 1 1 6 6 ARG HA H 1 4.199 0.030 . 1 . . . A 6 ARG HA . 25935 1 50 . 1 1 6 6 ARG HB2 H 1 1.747 0.030 . 2 . . . A 6 ARG HB2 . 25935 1 51 . 1 1 6 6 ARG HB3 H 1 1.814 0.030 . 2 . . . A 6 ARG HB3 . 25935 1 52 . 1 1 6 6 ARG HG2 H 1 1.575 0.030 . 2 . . . A 6 ARG HG2 . 25935 1 53 . 1 1 6 6 ARG HG3 H 1 1.684 0.030 . 2 . . . A 6 ARG HG3 . 25935 1 54 . 1 1 6 6 ARG HD2 H 1 3.174 0.030 . 1 . . . A 6 ARG HD2 . 25935 1 55 . 1 1 6 6 ARG HD3 H 1 3.174 0.030 . 1 . . . A 6 ARG HD3 . 25935 1 56 . 1 1 6 6 ARG HE H 1 7.426 0.030 . 1 . . . A 6 ARG HE . 25935 1 57 . 1 1 6 6 ARG C C 13 176.284 0.300 . 1 . . . A 6 ARG C . 25935 1 58 . 1 1 6 6 ARG CA C 13 56.935 0.300 . 1 . . . A 6 ARG CA . 25935 1 59 . 1 1 6 6 ARG CB C 13 30.580 0.300 . 1 . . . A 6 ARG CB . 25935 1 60 . 1 1 6 6 ARG CG C 13 27.160 0.300 . 1 . . . A 6 ARG CG . 25935 1 61 . 1 1 6 6 ARG CD C 13 43.500 0.300 . 1 . . . A 6 ARG CD . 25935 1 62 . 1 1 6 6 ARG N N 15 120.420 0.300 . 1 . . . A 6 ARG N . 25935 1 63 . 1 1 6 6 ARG NE N 15 84.455 0.300 . 1 . . . A 6 ARG NE . 25935 1 64 . 1 1 7 7 ASN H H 1 8.276 0.030 . 1 . . . A 7 ASN H . 25935 1 65 . 1 1 7 7 ASN HA H 1 4.567 0.030 . 1 . . . A 7 ASN HA . 25935 1 66 . 1 1 7 7 ASN HB2 H 1 2.791 0.030 . 1 . . . A 7 ASN HB2 . 25935 1 67 . 1 1 7 7 ASN HB3 H 1 2.791 0.030 . 1 . . . A 7 ASN HB3 . 25935 1 68 . 1 1 7 7 ASN HD21 H 1 7.736 0.030 . 2 . . . A 7 ASN HD21 . 25935 1 69 . 1 1 7 7 ASN HD22 H 1 6.787 0.030 . 2 . . . A 7 ASN HD22 . 25935 1 70 . 1 1 7 7 ASN C C 13 176.918 0.300 . 1 . . . A 7 ASN C . 25935 1 71 . 1 1 7 7 ASN CA C 13 53.890 0.300 . 1 . . . A 7 ASN CA . 25935 1 72 . 1 1 7 7 ASN CB C 13 38.850 0.300 . 1 . . . A 7 ASN CB . 25935 1 73 . 1 1 7 7 ASN N N 15 118.850 0.300 . 1 . . . A 7 ASN N . 25935 1 74 . 1 1 7 7 ASN ND2 N 15 112.087 0.300 . 1 . . . A 7 ASN ND2 . 25935 1 75 . 1 1 8 8 ARG H H 1 8.386 0.030 . 1 . . . A 8 ARG H . 25935 1 76 . 1 1 8 8 ARG HA H 1 4.270 0.030 . 1 . . . A 8 ARG HA . 25935 1 77 . 1 1 8 8 ARG HB2 H 1 1.838 0.030 . 1 . . . A 8 ARG HB2 . 25935 1 78 . 1 1 8 8 ARG HB3 H 1 1.838 0.030 . 1 . . . A 8 ARG HB3 . 25935 1 79 . 1 1 8 8 ARG HG2 H 1 1.696 0.030 . 1 . . . A 8 ARG HG2 . 25935 1 80 . 1 1 8 8 ARG HG3 H 1 1.696 0.030 . 1 . . . A 8 ARG HG3 . 25935 1 81 . 1 1 8 8 ARG HD2 H 1 3.200 0.030 . 1 . . . A 8 ARG HD2 . 25935 1 82 . 1 1 8 8 ARG HD3 H 1 3.200 0.030 . 1 . . . A 8 ARG HD3 . 25935 1 83 . 1 1 8 8 ARG HE H 1 7.426 0.030 . 1 . . . A 8 ARG HE . 25935 1 84 . 1 1 8 8 ARG C C 13 177.672 0.300 . 1 . . . A 8 ARG C . 25935 1 85 . 1 1 8 8 ARG CA C 13 57.250 0.300 . 1 . . . A 8 ARG CA . 25935 1 86 . 1 1 8 8 ARG CB C 13 30.502 0.300 . 1 . . . A 8 ARG CB . 25935 1 87 . 1 1 8 8 ARG CG C 13 27.160 0.300 . 1 . . . A 8 ARG CG . 25935 1 88 . 1 1 8 8 ARG CD C 13 43.480 0.300 . 1 . . . A 8 ARG CD . 25935 1 89 . 1 1 8 8 ARG N N 15 120.455 0.300 . 1 . . . A 8 ARG N . 25935 1 90 . 1 1 8 8 ARG NE N 15 84.455 0.300 . 1 . . . A 8 ARG NE . 25935 1 91 . 1 1 9 9 LEU H H 1 8.205 0.030 . 1 . . . A 9 LEU H . 25935 1 92 . 1 1 9 9 LEU HA H 1 4.250 0.030 . 1 . . . A 9 LEU HA . 25935 1 93 . 1 1 9 9 LEU HB2 H 1 1.670 0.030 . 1 . . . A 9 LEU HB2 . 25935 1 94 . 1 1 9 9 LEU HB3 H 1 1.670 0.030 . 1 . . . A 9 LEU HB3 . 25935 1 95 . 1 1 9 9 LEU HG H 1 1.622 0.030 . 1 . . . A 9 LEU HG . 25935 1 96 . 1 1 9 9 LEU HD11 H 1 0.930 0.030 . 2 . . . A 9 LEU HD11 . 25935 1 97 . 1 1 9 9 LEU HD12 H 1 0.930 0.030 . 2 . . . A 9 LEU HD12 . 25935 1 98 . 1 1 9 9 LEU HD13 H 1 0.930 0.030 . 2 . . . A 9 LEU HD13 . 25935 1 99 . 1 1 9 9 LEU HD21 H 1 0.881 0.030 . 2 . . . A 9 LEU HD21 . 25935 1 100 . 1 1 9 9 LEU HD22 H 1 0.881 0.030 . 2 . . . A 9 LEU HD22 . 25935 1 101 . 1 1 9 9 LEU HD23 H 1 0.881 0.030 . 2 . . . A 9 LEU HD23 . 25935 1 102 . 1 1 9 9 LEU C C 13 177.355 0.300 . 1 . . . A 9 LEU C . 25935 1 103 . 1 1 9 9 LEU CA C 13 56.412 0.300 . 1 . . . A 9 LEU CA . 25935 1 104 . 1 1 9 9 LEU CB C 13 42.210 0.300 . 1 . . . A 9 LEU CB . 25935 1 105 . 1 1 9 9 LEU CG C 13 27.165 0.300 . 1 . . . A 9 LEU CG . 25935 1 106 . 1 1 9 9 LEU CD1 C 13 25.250 0.300 . 2 . . . A 9 LEU CD1 . 25935 1 107 . 1 1 9 9 LEU CD2 C 13 24.020 0.300 . 2 . . . A 9 LEU CD2 . 25935 1 108 . 1 1 9 9 LEU N N 15 120.068 0.300 . 1 . . . A 9 LEU N . 25935 1 109 . 1 1 10 10 LEU H H 1 7.945 0.030 . 1 . . . A 10 LEU H . 25935 1 110 . 1 1 10 10 LEU HA H 1 4.310 0.030 . 1 . . . A 10 LEU HA . 25935 1 111 . 1 1 10 10 LEU HB2 H 1 1.663 0.030 . 1 . . . A 10 LEU HB2 . 25935 1 112 . 1 1 10 10 LEU HB3 H 1 1.663 0.030 . 1 . . . A 10 LEU HB3 . 25935 1 113 . 1 1 10 10 LEU HG H 1 1.622 0.030 . 1 . . . A 10 LEU HG . 25935 1 114 . 1 1 10 10 LEU HD11 H 1 0.936 0.030 . 2 . . . A 10 LEU HD11 . 25935 1 115 . 1 1 10 10 LEU HD12 H 1 0.936 0.030 . 2 . . . A 10 LEU HD12 . 25935 1 116 . 1 1 10 10 LEU HD13 H 1 0.936 0.030 . 2 . . . A 10 LEU HD13 . 25935 1 117 . 1 1 10 10 LEU HD21 H 1 0.881 0.030 . 2 . . . A 10 LEU HD21 . 25935 1 118 . 1 1 10 10 LEU HD22 H 1 0.881 0.030 . 2 . . . A 10 LEU HD22 . 25935 1 119 . 1 1 10 10 LEU HD23 H 1 0.881 0.030 . 2 . . . A 10 LEU HD23 . 25935 1 120 . 1 1 10 10 LEU C C 13 176.120 0.300 . 1 . . . A 10 LEU C . 25935 1 121 . 1 1 10 10 LEU CA C 13 55.151 0.300 . 1 . . . A 10 LEU CA . 25935 1 122 . 1 1 10 10 LEU CB C 13 42.570 0.300 . 1 . . . A 10 LEU CB . 25935 1 123 . 1 1 10 10 LEU CG C 13 27.165 0.300 . 1 . . . A 10 LEU CG . 25935 1 124 . 1 1 10 10 LEU CD1 C 13 25.250 0.300 . 2 . . . A 10 LEU CD1 . 25935 1 125 . 1 1 10 10 LEU CD2 C 13 24.020 0.300 . 2 . . . A 10 LEU CD2 . 25935 1 126 . 1 1 10 10 LEU N N 15 118.045 0.300 . 1 . . . A 10 LEU N . 25935 1 127 . 1 1 11 11 GLN H H 1 7.930 0.030 . 1 . . . A 11 GLN H . 25935 1 128 . 1 1 11 11 GLN HA H 1 4.369 0.030 . 1 . . . A 11 GLN HA . 25935 1 129 . 1 1 11 11 GLN HB2 H 1 1.948 0.030 . 2 . . . A 11 GLN HB2 . 25935 1 130 . 1 1 11 11 GLN HB3 H 1 2.118 0.030 . 2 . . . A 11 GLN HB3 . 25935 1 131 . 1 1 11 11 GLN HG2 H 1 2.365 0.030 . 1 . . . A 11 GLN HG2 . 25935 1 132 . 1 1 11 11 GLN HG3 H 1 2.365 0.030 . 1 . . . A 11 GLN HG3 . 25935 1 133 . 1 1 11 11 GLN HE21 H 1 7.529 0.030 . 2 . . . A 11 GLN HE21 . 25935 1 134 . 1 1 11 11 GLN HE22 H 1 6.828 0.030 . 2 . . . A 11 GLN HE22 . 25935 1 135 . 1 1 11 11 GLN C C 13 175.954 0.300 . 1 . . . A 11 GLN C . 25935 1 136 . 1 1 11 11 GLN CA C 13 56.019 0.300 . 1 . . . A 11 GLN CA . 25935 1 137 . 1 1 11 11 GLN CB C 13 29.383 0.300 . 1 . . . A 11 GLN CB . 25935 1 138 . 1 1 11 11 GLN CG C 13 33.963 0.300 . 1 . . . A 11 GLN CG . 25935 1 139 . 1 1 11 11 GLN N N 15 118.650 0.300 . 1 . . . A 11 GLN N . 25935 1 140 . 1 1 11 11 GLN NE2 N 15 112.030 0.300 . 1 . . . A 11 GLN NE2 . 25935 1 141 . 1 1 12 12 SER H H 1 7.998 0.030 . 1 . . . A 12 SER H . 25935 1 142 . 1 1 12 12 SER HA H 1 4.365 0.030 . 1 . . . A 12 SER HA . 25935 1 143 . 1 1 12 12 SER HB2 H 1 3.923 0.030 . 2 . . . A 12 SER HB2 . 25935 1 144 . 1 1 12 12 SER HB3 H 1 3.818 0.030 . 2 . . . A 12 SER HB3 . 25935 1 145 . 1 1 12 12 SER C C 13 174.724 0.300 . 1 . . . A 12 SER C . 25935 1 146 . 1 1 12 12 SER CA C 13 58.916 0.300 . 1 . . . A 12 SER CA . 25935 1 147 . 1 1 12 12 SER CB C 13 64.111 0.300 . 1 . . . A 12 SER CB . 25935 1 148 . 1 1 12 12 SER N N 15 115.913 0.300 . 1 . . . A 12 SER N . 25935 1 149 . 1 1 13 13 ASP H H 1 8.541 0.030 . 1 . . . A 13 ASP H . 25935 1 150 . 1 1 13 13 ASP HA H 1 4.521 0.030 . 1 . . . A 13 ASP HA . 25935 1 151 . 1 1 13 13 ASP HB2 H 1 2.512 0.030 . 1 . . . A 13 ASP HB2 . 25935 1 152 . 1 1 13 13 ASP HB3 H 1 2.512 0.030 . 1 . . . A 13 ASP HB3 . 25935 1 153 . 1 1 13 13 ASP CA C 13 54.995 0.300 . 1 . . . A 13 ASP CA . 25935 1 154 . 1 1 13 13 ASP CB C 13 40.779 0.300 . 1 . . . A 13 ASP CB . 25935 1 155 . 1 1 13 13 ASP N N 15 122.250 0.300 . 1 . . . A 13 ASP N . 25935 1 156 . 1 1 14 14 TYR H H 1 7.929 0.030 . 1 . . . A 14 TYR H . 25935 1 157 . 1 1 14 14 TYR HA H 1 4.375 0.030 . 1 . . . A 14 TYR HA . 25935 1 158 . 1 1 14 14 TYR HB2 H 1 2.918 0.030 . 2 . . . A 14 TYR HB2 . 25935 1 159 . 1 1 14 14 TYR HB3 H 1 2.980 0.030 . 2 . . . A 14 TYR HB3 . 25935 1 160 . 1 1 14 14 TYR HD1 H 1 7.098 0.030 . 1 . . . A 14 TYR HD1 . 25935 1 161 . 1 1 14 14 TYR HD2 H 1 7.098 0.030 . 1 . . . A 14 TYR HD2 . 25935 1 162 . 1 1 14 14 TYR HE1 H 1 6.830 0.030 . 1 . . . A 14 TYR HE1 . 25935 1 163 . 1 1 14 14 TYR HE2 H 1 6.830 0.030 . 1 . . . A 14 TYR HE2 . 25935 1 164 . 1 1 14 14 TYR C C 13 176.120 0.300 . 1 . . . A 14 TYR C . 25935 1 165 . 1 1 14 14 TYR CA C 13 59.334 0.300 . 1 . . . A 14 TYR CA . 25935 1 166 . 1 1 14 14 TYR CB C 13 38.720 0.300 . 1 . . . A 14 TYR CB . 25935 1 167 . 1 1 14 14 TYR CD1 C 13 133.103 0.300 . 1 . . . A 14 TYR CD1 . 25935 1 168 . 1 1 14 14 TYR CD2 C 13 133.103 0.300 . 1 . . . A 14 TYR CD2 . 25935 1 169 . 1 1 14 14 TYR CE1 C 13 118.140 0.300 . 1 . . . A 14 TYR CE1 . 25935 1 170 . 1 1 14 14 TYR CE2 C 13 118.140 0.300 . 1 . . . A 14 TYR CE2 . 25935 1 171 . 1 1 14 14 TYR N N 15 118.956 0.300 . 1 . . . A 14 TYR N . 25935 1 172 . 1 1 15 15 MET H H 1 7.882 0.030 . 1 . . . A 15 MET H . 25935 1 173 . 1 1 15 15 MET HA H 1 4.490 0.030 . 1 . . . A 15 MET HA . 25935 1 174 . 1 1 15 15 MET HB2 H 1 2.054 0.030 . 1 . . . A 15 MET HB2 . 25935 1 175 . 1 1 15 15 MET HB3 H 1 2.054 0.030 . 1 . . . A 15 MET HB3 . 25935 1 176 . 1 1 15 15 MET HG2 H 1 2.605 0.030 . 2 . . . A 15 MET HG2 . 25935 1 177 . 1 1 15 15 MET HG3 H 1 2.420 0.030 . 2 . . . A 15 MET HG3 . 25935 1 178 . 1 1 15 15 MET HE1 H 1 2.075 0.030 . 1 . . . A 15 MET HE1 . 25935 1 179 . 1 1 15 15 MET HE2 H 1 2.075 0.030 . 1 . . . A 15 MET HE2 . 25935 1 180 . 1 1 15 15 MET HE3 H 1 2.075 0.030 . 1 . . . A 15 MET HE3 . 25935 1 181 . 1 1 15 15 MET C C 13 175.943 0.300 . 1 . . . A 15 MET C . 25935 1 182 . 1 1 15 15 MET CA C 13 55.544 0.300 . 1 . . . A 15 MET CA . 25935 1 183 . 1 1 15 15 MET CB C 13 32.070 0.300 . 1 . . . A 15 MET CB . 25935 1 184 . 1 1 15 15 MET CG C 13 32.387 0.300 . 1 . . . A 15 MET CG . 25935 1 185 . 1 1 15 15 MET CE C 13 17.173 0.300 . 1 . . . A 15 MET CE . 25935 1 186 . 1 1 15 15 MET N N 15 117.315 0.300 . 1 . . . A 15 MET N . 25935 1 187 . 1 1 16 16 ASN H H 1 7.981 0.030 . 1 . . . A 16 ASN H . 25935 1 188 . 1 1 16 16 ASN HA H 1 4.649 0.030 . 1 . . . A 16 ASN HA . 25935 1 189 . 1 1 16 16 ASN HB2 H 1 2.879 0.030 . 2 . . . A 16 ASN HB2 . 25935 1 190 . 1 1 16 16 ASN HB3 H 1 2.672 0.030 . 2 . . . A 16 ASN HB3 . 25935 1 191 . 1 1 16 16 ASN HD21 H 1 7.712 0.030 . 2 . . . A 16 ASN HD21 . 25935 1 192 . 1 1 16 16 ASN HD22 H 1 6.883 0.030 . 2 . . . A 16 ASN HD22 . 25935 1 193 . 1 1 16 16 ASN C C 13 175.024 0.300 . 1 . . . A 16 ASN C . 25935 1 194 . 1 1 16 16 ASN CA C 13 53.301 0.300 . 1 . . . A 16 ASN CA . 25935 1 195 . 1 1 16 16 ASN CB C 13 38.811 0.300 . 1 . . . A 16 ASN CB . 25935 1 196 . 1 1 16 16 ASN N N 15 117.761 0.300 . 1 . . . A 16 ASN N . 25935 1 197 . 1 1 16 16 ASN ND2 N 15 113.132 0.300 . 1 . . . A 16 ASN ND2 . 25935 1 198 . 1 1 17 17 MET H H 1 8.108 0.030 . 1 . . . A 17 MET H . 25935 1 199 . 1 1 17 17 MET HA H 1 4.434 0.030 . 1 . . . A 17 MET HA . 25935 1 200 . 1 1 17 17 MET HB2 H 1 2.033 0.030 . 2 . . . A 17 MET HB2 . 25935 1 201 . 1 1 17 17 MET HB3 H 1 2.133 0.030 . 2 . . . A 17 MET HB3 . 25935 1 202 . 1 1 17 17 MET HG2 H 1 2.605 0.030 . 2 . . . A 17 MET HG2 . 25935 1 203 . 1 1 17 17 MET HG3 H 1 2.524 0.030 . 2 . . . A 17 MET HG3 . 25935 1 204 . 1 1 17 17 MET HE1 H 1 2.075 0.030 . 1 . . . A 17 MET HE1 . 25935 1 205 . 1 1 17 17 MET HE2 H 1 2.075 0.030 . 1 . . . A 17 MET HE2 . 25935 1 206 . 1 1 17 17 MET HE3 H 1 2.075 0.030 . 1 . . . A 17 MET HE3 . 25935 1 207 . 1 1 17 17 MET C C 13 175.477 0.300 . 1 . . . A 17 MET C . 25935 1 208 . 1 1 17 17 MET CA C 13 55.609 0.300 . 1 . . . A 17 MET CA . 25935 1 209 . 1 1 17 17 MET CB C 13 33.275 0.300 . 1 . . . A 17 MET CB . 25935 1 210 . 1 1 17 17 MET CG C 13 32.290 0.300 . 1 . . . A 17 MET CG . 25935 1 211 . 1 1 17 17 MET CE C 13 17.173 0.300 . 1 . . . A 17 MET CE . 25935 1 212 . 1 1 17 17 MET N N 15 119.840 0.300 . 1 . . . A 17 MET N . 25935 1 213 . 1 1 18 18 THR H H 1 8.022 0.030 . 1 . . . A 18 THR H . 25935 1 214 . 1 1 18 18 THR HA H 1 4.544 0.030 . 1 . . . A 18 THR HA . 25935 1 215 . 1 1 18 18 THR HB H 1 4.152 0.030 . 1 . . . A 18 THR HB . 25935 1 216 . 1 1 18 18 THR HG21 H 1 1.235 0.030 . 1 . . . A 18 THR HG21 . 25935 1 217 . 1 1 18 18 THR HG22 H 1 1.235 0.030 . 1 . . . A 18 THR HG22 . 25935 1 218 . 1 1 18 18 THR HG23 H 1 1.235 0.030 . 1 . . . A 18 THR HG23 . 25935 1 219 . 1 1 18 18 THR CA C 13 60.036 0.300 . 1 . . . A 18 THR CA . 25935 1 220 . 1 1 18 18 THR CB C 13 69.708 0.300 . 1 . . . A 18 THR CB . 25935 1 221 . 1 1 18 18 THR CG2 C 13 21.580 0.300 . 1 . . . A 18 THR CG2 . 25935 1 222 . 1 1 18 18 THR N N 15 115.771 0.300 . 1 . . . A 18 THR N . 25935 1 223 . 1 1 19 19 PRO HA H 1 4.440 0.030 . 1 . . . A 19 PRO HA . 25935 1 224 . 1 1 19 19 PRO HB2 H 1 1.877 0.030 . 2 . . . A 19 PRO HB2 . 25935 1 225 . 1 1 19 19 PRO HB3 H 1 2.276 0.030 . 2 . . . A 19 PRO HB3 . 25935 1 226 . 1 1 19 19 PRO HG2 H 1 1.965 0.030 . 1 . . . A 19 PRO HG2 . 25935 1 227 . 1 1 19 19 PRO HG3 H 1 1.965 0.030 . 1 . . . A 19 PRO HG3 . 25935 1 228 . 1 1 19 19 PRO HD2 H 1 3.793 0.030 . 2 . . . A 19 PRO HD2 . 25935 1 229 . 1 1 19 19 PRO HD3 H 1 3.713 0.030 . 2 . . . A 19 PRO HD3 . 25935 1 230 . 1 1 19 19 PRO C C 13 176.275 0.300 . 1 . . . A 19 PRO C . 25935 1 231 . 1 1 19 19 PRO CA C 13 63.231 0.300 . 1 . . . A 19 PRO CA . 25935 1 232 . 1 1 19 19 PRO CB C 13 32.080 0.300 . 1 . . . A 19 PRO CB . 25935 1 233 . 1 1 19 19 PRO CG C 13 27.423 0.300 . 1 . . . A 19 PRO CG . 25935 1 234 . 1 1 19 19 PRO CD C 13 50.554 0.300 . 1 . . . A 19 PRO CD . 25935 1 235 . 1 1 20 20 ARG H H 1 8.309 0.030 . 1 . . . A 20 ARG H . 25935 1 236 . 1 1 20 20 ARG HA H 1 4.358 0.030 . 1 . . . A 20 ARG HA . 25935 1 237 . 1 1 20 20 ARG HB2 H 1 1.846 0.030 . 2 . . . A 20 ARG HB2 . 25935 1 238 . 1 1 20 20 ARG HB3 H 1 1.760 0.030 . 2 . . . A 20 ARG HB3 . 25935 1 239 . 1 1 20 20 ARG HG2 H 1 1.635 0.030 . 1 . . . A 20 ARG HG2 . 25935 1 240 . 1 1 20 20 ARG HG3 H 1 1.635 0.030 . 1 . . . A 20 ARG HG3 . 25935 1 241 . 1 1 20 20 ARG HD2 H 1 3.186 0.030 . 1 . . . A 20 ARG HD2 . 25935 1 242 . 1 1 20 20 ARG HD3 H 1 3.186 0.030 . 1 . . . A 20 ARG HD3 . 25935 1 243 . 1 1 20 20 ARG HE H 1 7.415 0.030 . 1 . . . A 20 ARG HE . 25935 1 244 . 1 1 20 20 ARG C C 13 175.644 0.300 . 1 . . . A 20 ARG C . 25935 1 245 . 1 1 20 20 ARG CA C 13 55.855 0.300 . 1 . . . A 20 ARG CA . 25935 1 246 . 1 1 20 20 ARG CB C 13 30.748 0.300 . 1 . . . A 20 ARG CB . 25935 1 247 . 1 1 20 20 ARG CG C 13 27.176 0.300 . 1 . . . A 20 ARG CG . 25935 1 248 . 1 1 20 20 ARG CD C 13 43.450 0.300 . 1 . . . A 20 ARG CD . 25935 1 249 . 1 1 20 20 ARG N N 15 120.637 0.300 . 1 . . . A 20 ARG N . 25935 1 250 . 1 1 20 20 ARG NE N 15 84.540 0.300 . 1 . . . A 20 ARG NE . 25935 1 251 . 1 1 21 21 ARG H H 1 8.314 0.030 . 1 . . . A 21 ARG H . 25935 1 252 . 1 1 21 21 ARG HA H 1 4.530 0.030 . 1 . . . A 21 ARG HA . 25935 1 253 . 1 1 21 21 ARG HB2 H 1 1.806 0.030 . 2 . . . A 21 ARG HB2 . 25935 1 254 . 1 1 21 21 ARG HB3 H 1 1.690 0.030 . 2 . . . A 21 ARG HB3 . 25935 1 255 . 1 1 21 21 ARG HG2 H 1 1.608 0.030 . 1 . . . A 21 ARG HG2 . 25935 1 256 . 1 1 21 21 ARG HG3 H 1 1.608 0.030 . 1 . . . A 21 ARG HG3 . 25935 1 257 . 1 1 21 21 ARG HD2 H 1 3.180 0.030 . 1 . . . A 21 ARG HD2 . 25935 1 258 . 1 1 21 21 ARG HD3 H 1 3.180 0.030 . 1 . . . A 21 ARG HD3 . 25935 1 259 . 1 1 21 21 ARG HE H 1 7.415 0.030 . 1 . . . A 21 ARG HE . 25935 1 260 . 1 1 21 21 ARG CA C 13 53.816 0.300 . 1 . . . A 21 ARG CA . 25935 1 261 . 1 1 21 21 ARG CB C 13 30.294 0.300 . 1 . . . A 21 ARG CB . 25935 1 262 . 1 1 21 21 ARG CG C 13 27.000 0.300 . 1 . . . A 21 ARG CG . 25935 1 263 . 1 1 21 21 ARG CD C 13 43.450 0.300 . 1 . . . A 21 ARG CD . 25935 1 264 . 1 1 21 21 ARG N N 15 121.798 0.300 . 1 . . . A 21 ARG N . 25935 1 265 . 1 1 21 21 ARG NE N 15 84.540 0.300 . 1 . . . A 21 ARG NE . 25935 1 266 . 1 1 22 22 PRO HA H 1 4.450 0.030 . 1 . . . A 22 PRO HA . 25935 1 267 . 1 1 22 22 PRO HB2 H 1 1.852 0.030 . 2 . . . A 22 PRO HB2 . 25935 1 268 . 1 1 22 22 PRO HB3 H 1 2.300 0.030 . 2 . . . A 22 PRO HB3 . 25935 1 269 . 1 1 22 22 PRO HG2 H 1 1.980 0.030 . 2 . . . A 22 PRO HG2 . 25935 1 270 . 1 1 22 22 PRO HG3 H 1 2.039 0.030 . 2 . . . A 22 PRO HG3 . 25935 1 271 . 1 1 22 22 PRO HD2 H 1 3.740 0.030 . 2 . . . A 22 PRO HD2 . 25935 1 272 . 1 1 22 22 PRO HD3 H 1 3.522 0.030 . 2 . . . A 22 PRO HD3 . 25935 1 273 . 1 1 22 22 PRO C C 13 176.962 0.300 . 1 . . . A 22 PRO C . 25935 1 274 . 1 1 22 22 PRO CA C 13 63.255 0.300 . 1 . . . A 22 PRO CA . 25935 1 275 . 1 1 22 22 PRO CB C 13 31.931 0.300 . 1 . . . A 22 PRO CB . 25935 1 276 . 1 1 22 22 PRO CG C 13 27.440 0.300 . 1 . . . A 22 PRO CG . 25935 1 277 . 1 1 22 22 PRO CD C 13 50.580 0.300 . 1 . . . A 22 PRO CD . 25935 1 278 . 1 1 23 23 GLY H H 1 8.481 0.030 . 1 . . . A 23 GLY H . 25935 1 279 . 1 1 23 23 GLY HA2 H 1 3.975 0.030 . 1 . . . A 23 GLY HA2 . 25935 1 280 . 1 1 23 23 GLY HA3 H 1 3.975 0.030 . 1 . . . A 23 GLY HA3 . 25935 1 281 . 1 1 23 23 GLY C C 13 173.893 0.300 . 1 . . . A 23 GLY C . 25935 1 282 . 1 1 23 23 GLY CA C 13 45.500 0.300 . 1 . . . A 23 GLY CA . 25935 1 283 . 1 1 23 23 GLY N N 15 108.525 0.300 . 1 . . . A 23 GLY N . 25935 1 284 . 1 1 24 24 LEU H H 1 8.176 0.030 . 1 . . . A 24 LEU H . 25935 1 285 . 1 1 24 24 LEU HA H 1 4.399 0.030 . 1 . . . A 24 LEU HA . 25935 1 286 . 1 1 24 24 LEU HB2 H 1 1.661 0.030 . 1 . . . A 24 LEU HB2 . 25935 1 287 . 1 1 24 24 LEU HB3 H 1 1.661 0.030 . 1 . . . A 24 LEU HB3 . 25935 1 288 . 1 1 24 24 LEU HG H 1 1.586 0.030 . 1 . . . A 24 LEU HG . 25935 1 289 . 1 1 24 24 LEU HD11 H 1 0.941 0.030 . 2 . . . A 24 LEU HD11 . 25935 1 290 . 1 1 24 24 LEU HD12 H 1 0.941 0.030 . 2 . . . A 24 LEU HD12 . 25935 1 291 . 1 1 24 24 LEU HD13 H 1 0.941 0.030 . 2 . . . A 24 LEU HD13 . 25935 1 292 . 1 1 24 24 LEU HD21 H 1 0.881 0.030 . 2 . . . A 24 LEU HD21 . 25935 1 293 . 1 1 24 24 LEU HD22 H 1 0.881 0.030 . 2 . . . A 24 LEU HD22 . 25935 1 294 . 1 1 24 24 LEU HD23 H 1 0.881 0.030 . 2 . . . A 24 LEU HD23 . 25935 1 295 . 1 1 24 24 LEU C C 13 176.973 0.300 . 1 . . . A 24 LEU C . 25935 1 296 . 1 1 24 24 LEU CA C 13 55.516 0.300 . 1 . . . A 24 LEU CA . 25935 1 297 . 1 1 24 24 LEU CB C 13 42.614 0.300 . 1 . . . A 24 LEU CB . 25935 1 298 . 1 1 24 24 LEU CG C 13 27.072 0.300 . 1 . . . A 24 LEU CG . 25935 1 299 . 1 1 24 24 LEU CD1 C 13 25.292 0.300 . 2 . . . A 24 LEU CD1 . 25935 1 300 . 1 1 24 24 LEU CD2 C 13 24.020 0.300 . 2 . . . A 24 LEU CD2 . 25935 1 301 . 1 1 24 24 LEU N N 15 120.847 0.300 . 1 . . . A 24 LEU N . 25935 1 302 . 1 1 25 25 THR H H 1 8.033 0.030 . 1 . . . A 25 THR H . 25935 1 303 . 1 1 25 25 THR HA H 1 4.367 0.030 . 1 . . . A 25 THR HA . 25935 1 304 . 1 1 25 25 THR HB H 1 4.221 0.030 . 1 . . . A 25 THR HB . 25935 1 305 . 1 1 25 25 THR HG21 H 1 1.190 0.030 . 1 . . . A 25 THR HG21 . 25935 1 306 . 1 1 25 25 THR HG22 H 1 1.190 0.030 . 1 . . . A 25 THR HG22 . 25935 1 307 . 1 1 25 25 THR HG23 H 1 1.190 0.030 . 1 . . . A 25 THR HG23 . 25935 1 308 . 1 1 25 25 THR C C 13 174.192 0.300 . 1 . . . A 25 THR C . 25935 1 309 . 1 1 25 25 THR CA C 13 61.630 0.300 . 1 . . . A 25 THR CA . 25935 1 310 . 1 1 25 25 THR CB C 13 69.972 0.300 . 1 . . . A 25 THR CB . 25935 1 311 . 1 1 25 25 THR CG2 C 13 21.670 0.300 . 1 . . . A 25 THR CG2 . 25935 1 312 . 1 1 25 25 THR N N 15 113.032 0.300 . 1 . . . A 25 THR N . 25935 1 313 . 1 1 26 26 ARG H H 1 8.328 0.030 . 1 . . . A 26 ARG H . 25935 1 314 . 1 1 26 26 ARG HA H 1 4.361 0.030 . 1 . . . A 26 ARG HA . 25935 1 315 . 1 1 26 26 ARG HB2 H 1 1.691 0.030 . 1 . . . A 26 ARG HB2 . 25935 1 316 . 1 1 26 26 ARG HB3 H 1 1.691 0.030 . 1 . . . A 26 ARG HB3 . 25935 1 317 . 1 1 26 26 ARG HG2 H 1 1.560 0.030 . 1 . . . A 26 ARG HG2 . 25935 1 318 . 1 1 26 26 ARG HG3 H 1 1.560 0.030 . 1 . . . A 26 ARG HG3 . 25935 1 319 . 1 1 26 26 ARG HD2 H 1 3.170 0.030 . 1 . . . A 26 ARG HD2 . 25935 1 320 . 1 1 26 26 ARG HD3 H 1 3.170 0.030 . 1 . . . A 26 ARG HD3 . 25935 1 321 . 1 1 26 26 ARG HE H 1 7.362 0.030 . 1 . . . A 26 ARG HE . 25935 1 322 . 1 1 26 26 ARG C C 13 175.766 0.300 . 1 . . . A 26 ARG C . 25935 1 323 . 1 1 26 26 ARG CA C 13 55.871 0.300 . 1 . . . A 26 ARG CA . 25935 1 324 . 1 1 26 26 ARG CB C 13 31.030 0.300 . 1 . . . A 26 ARG CB . 25935 1 325 . 1 1 26 26 ARG CG C 13 26.929 0.300 . 1 . . . A 26 ARG CG . 25935 1 326 . 1 1 26 26 ARG CD C 13 43.245 0.300 . 1 . . . A 26 ARG CD . 25935 1 327 . 1 1 26 26 ARG N N 15 122.940 0.300 . 1 . . . A 26 ARG N . 25935 1 328 . 1 1 26 26 ARG NE N 15 84.768 0.300 . 1 . . . A 26 ARG NE . 25935 1 329 . 1 1 27 27 LYS H H 1 8.368 0.030 . 1 . . . A 27 LYS H . 25935 1 330 . 1 1 27 27 LYS HA H 1 4.547 0.030 . 1 . . . A 27 LYS HA . 25935 1 331 . 1 1 27 27 LYS HB2 H 1 1.659 0.030 . 2 . . . A 27 LYS HB2 . 25935 1 332 . 1 1 27 27 LYS HB3 H 1 1.725 0.030 . 2 . . . A 27 LYS HB3 . 25935 1 333 . 1 1 27 27 LYS HG2 H 1 1.466 0.030 . 1 . . . A 27 LYS HG2 . 25935 1 334 . 1 1 27 27 LYS HG3 H 1 1.466 0.030 . 1 . . . A 27 LYS HG3 . 25935 1 335 . 1 1 27 27 LYS HD2 H 1 1.683 0.030 . 1 . . . A 27 LYS HD2 . 25935 1 336 . 1 1 27 27 LYS HD3 H 1 1.683 0.030 . 1 . . . A 27 LYS HD3 . 25935 1 337 . 1 1 27 27 LYS HE2 H 1 2.995 0.030 . 1 . . . A 27 LYS HE2 . 25935 1 338 . 1 1 27 27 LYS HE3 H 1 2.995 0.030 . 1 . . . A 27 LYS HE3 . 25935 1 339 . 1 1 27 27 LYS CA C 13 54.209 0.300 . 1 . . . A 27 LYS CA . 25935 1 340 . 1 1 27 27 LYS CB C 13 32.455 0.300 . 1 . . . A 27 LYS CB . 25935 1 341 . 1 1 27 27 LYS CG C 13 24.770 0.300 . 1 . . . A 27 LYS CG . 25935 1 342 . 1 1 27 27 LYS CD C 13 29.213 0.300 . 1 . . . A 27 LYS CD . 25935 1 343 . 1 1 27 27 LYS CE C 13 42.170 0.300 . 1 . . . A 27 LYS CE . 25935 1 344 . 1 1 27 27 LYS N N 15 123.374 0.300 . 1 . . . A 27 LYS N . 25935 1 345 . 1 1 28 28 PRO HA H 1 4.325 0.030 . 1 . . . A 28 PRO HA . 25935 1 346 . 1 1 28 28 PRO HB2 H 1 2.215 0.030 . 2 . . . A 28 PRO HB2 . 25935 1 347 . 1 1 28 28 PRO HB3 H 1 1.765 0.030 . 2 . . . A 28 PRO HB3 . 25935 1 348 . 1 1 28 28 PRO HG2 H 1 1.928 0.030 . 1 . . . A 28 PRO HG2 . 25935 1 349 . 1 1 28 28 PRO HG3 H 1 1.928 0.030 . 1 . . . A 28 PRO HG3 . 25935 1 350 . 1 1 28 28 PRO HD2 H 1 3.813 0.030 . 2 . . . A 28 PRO HD2 . 25935 1 351 . 1 1 28 28 PRO HD3 H 1 3.624 0.030 . 2 . . . A 28 PRO HD3 . 25935 1 352 . 1 1 28 28 PRO C C 13 176.220 0.300 . 1 . . . A 28 PRO C . 25935 1 353 . 1 1 28 28 PRO CA C 13 63.166 0.300 . 1 . . . A 28 PRO CA . 25935 1 354 . 1 1 28 28 PRO CB C 13 32.013 0.300 . 1 . . . A 28 PRO CB . 25935 1 355 . 1 1 28 28 PRO CG C 13 27.440 0.300 . 1 . . . A 28 PRO CG . 25935 1 356 . 1 1 28 28 PRO CD C 13 50.569 0.300 . 1 . . . A 28 PRO CD . 25935 1 357 . 1 1 29 29 TYR H H 1 8.102 0.030 . 1 . . . A 29 TYR H . 25935 1 358 . 1 1 29 29 TYR HA H 1 4.438 0.030 . 1 . . . A 29 TYR HA . 25935 1 359 . 1 1 29 29 TYR HB2 H 1 2.900 0.030 . 2 . . . A 29 TYR HB2 . 25935 1 360 . 1 1 29 29 TYR HB3 H 1 3.050 0.030 . 2 . . . A 29 TYR HB3 . 25935 1 361 . 1 1 29 29 TYR HD1 H 1 7.098 0.030 . 1 . . . A 29 TYR HD1 . 25935 1 362 . 1 1 29 29 TYR HD2 H 1 7.098 0.030 . 1 . . . A 29 TYR HD2 . 25935 1 363 . 1 1 29 29 TYR HE1 H 1 6.830 0.030 . 1 . . . A 29 TYR HE1 . 25935 1 364 . 1 1 29 29 TYR HE2 H 1 6.830 0.030 . 1 . . . A 29 TYR HE2 . 25935 1 365 . 1 1 29 29 TYR C C 13 174.901 0.300 . 1 . . . A 29 TYR C . 25935 1 366 . 1 1 29 29 TYR CA C 13 57.951 0.300 . 1 . . . A 29 TYR CA . 25935 1 367 . 1 1 29 29 TYR CB C 13 38.720 0.300 . 1 . . . A 29 TYR CB . 25935 1 368 . 1 1 29 29 TYR CD1 C 13 133.103 0.300 . 1 . . . A 29 TYR CD1 . 25935 1 369 . 1 1 29 29 TYR CD2 C 13 133.103 0.300 . 1 . . . A 29 TYR CD2 . 25935 1 370 . 1 1 29 29 TYR CE1 C 13 118.140 0.300 . 1 . . . A 29 TYR CE1 . 25935 1 371 . 1 1 29 29 TYR CE2 C 13 118.140 0.300 . 1 . . . A 29 TYR CE2 . 25935 1 372 . 1 1 29 29 TYR N N 15 119.698 0.300 . 1 . . . A 29 TYR N . 25935 1 373 . 1 1 30 30 GLN H H 1 7.978 0.030 . 1 . . . A 30 GLN H . 25935 1 374 . 1 1 30 30 GLN HA H 1 4.542 0.030 . 1 . . . A 30 GLN HA . 25935 1 375 . 1 1 30 30 GLN HB2 H 1 1.829 0.030 . 2 . . . A 30 GLN HB2 . 25935 1 376 . 1 1 30 30 GLN HB3 H 1 1.940 0.030 . 2 . . . A 30 GLN HB3 . 25935 1 377 . 1 1 30 30 GLN HG2 H 1 2.240 0.030 . 1 . . . A 30 GLN HG2 . 25935 1 378 . 1 1 30 30 GLN HG3 H 1 2.240 0.030 . 1 . . . A 30 GLN HG3 . 25935 1 379 . 1 1 30 30 GLN HE21 H 1 7.525 0.030 . 2 . . . A 30 GLN HE21 . 25935 1 380 . 1 1 30 30 GLN HE22 H 1 6.868 0.030 . 2 . . . A 30 GLN HE22 . 25935 1 381 . 1 1 30 30 GLN CA C 13 53.098 0.300 . 1 . . . A 30 GLN CA . 25935 1 382 . 1 1 30 30 GLN CB C 13 29.669 0.300 . 1 . . . A 30 GLN CB . 25935 1 383 . 1 1 30 30 GLN CG C 13 33.603 0.300 . 1 . . . A 30 GLN CG . 25935 1 384 . 1 1 30 30 GLN N N 15 123.695 0.300 . 1 . . . A 30 GLN N . 25935 1 385 . 1 1 30 30 GLN NE2 N 15 112.014 0.300 . 1 . . . A 30 GLN NE2 . 25935 1 386 . 1 1 31 31 PRO HA H 1 4.283 0.030 . 1 . . . A 31 PRO HA . 25935 1 387 . 1 1 31 31 PRO HB2 H 1 1.718 0.030 . 2 . . . A 31 PRO HB2 . 25935 1 388 . 1 1 31 31 PRO HB3 H 1 2.156 0.030 . 2 . . . A 31 PRO HB3 . 25935 1 389 . 1 1 31 31 PRO HG2 H 1 1.926 0.030 . 1 . . . A 31 PRO HG2 . 25935 1 390 . 1 1 31 31 PRO HG3 H 1 1.926 0.030 . 1 . . . A 31 PRO HG3 . 25935 1 391 . 1 1 31 31 PRO HD2 H 1 3.550 0.030 . 2 . . . A 31 PRO HD2 . 25935 1 392 . 1 1 31 31 PRO HD3 H 1 3.449 0.030 . 2 . . . A 31 PRO HD3 . 25935 1 393 . 1 1 31 31 PRO C C 13 176.220 0.300 . 1 . . . A 31 PRO C . 25935 1 394 . 1 1 31 31 PRO CA C 13 63.100 0.300 . 1 . . . A 31 PRO CA . 25935 1 395 . 1 1 31 31 PRO CB C 13 31.950 0.300 . 1 . . . A 31 PRO CB . 25935 1 396 . 1 1 31 31 PRO CG C 13 27.100 0.300 . 1 . . . A 31 PRO CG . 25935 1 397 . 1 1 31 31 PRO CD C 13 50.370 0.300 . 1 . . . A 31 PRO CD . 25935 1 398 . 1 1 32 32 TYR H H 1 8.095 0.030 . 1 . . . A 32 TYR H . 25935 1 399 . 1 1 32 32 TYR HA H 1 4.493 0.030 . 1 . . . A 32 TYR HA . 25935 1 400 . 1 1 32 32 TYR HB2 H 1 2.973 0.030 . 1 . . . A 32 TYR HB2 . 25935 1 401 . 1 1 32 32 TYR HB3 H 1 2.973 0.030 . 1 . . . A 32 TYR HB3 . 25935 1 402 . 1 1 32 32 TYR HD1 H 1 7.098 0.030 . 1 . . . A 32 TYR HD1 . 25935 1 403 . 1 1 32 32 TYR HD2 H 1 7.098 0.030 . 1 . . . A 32 TYR HD2 . 25935 1 404 . 1 1 32 32 TYR HE1 H 1 6.830 0.030 . 1 . . . A 32 TYR HE1 . 25935 1 405 . 1 1 32 32 TYR HE2 H 1 6.830 0.030 . 1 . . . A 32 TYR HE2 . 25935 1 406 . 1 1 32 32 TYR C C 13 174.746 0.300 . 1 . . . A 32 TYR C . 25935 1 407 . 1 1 32 32 TYR CA C 13 57.854 0.300 . 1 . . . A 32 TYR CA . 25935 1 408 . 1 1 32 32 TYR CB C 13 38.684 0.300 . 1 . . . A 32 TYR CB . 25935 1 409 . 1 1 32 32 TYR CD1 C 13 133.103 0.300 . 1 . . . A 32 TYR CD1 . 25935 1 410 . 1 1 32 32 TYR CD2 C 13 133.103 0.300 . 1 . . . A 32 TYR CD2 . 25935 1 411 . 1 1 32 32 TYR CE1 C 13 118.140 0.300 . 1 . . . A 32 TYR CE1 . 25935 1 412 . 1 1 32 32 TYR CE2 C 13 118.140 0.300 . 1 . . . A 32 TYR CE2 . 25935 1 413 . 1 1 32 32 TYR N N 15 119.592 0.300 . 1 . . . A 32 TYR N . 25935 1 414 . 1 1 33 33 ALA H H 1 7.984 0.030 . 1 . . . A 33 ALA H . 25935 1 415 . 1 1 33 33 ALA HA H 1 4.515 0.030 . 1 . . . A 33 ALA HA . 25935 1 416 . 1 1 33 33 ALA HB1 H 1 1.270 0.030 . 1 . . . A 33 ALA HB1 . 25935 1 417 . 1 1 33 33 ALA HB2 H 1 1.270 0.030 . 1 . . . A 33 ALA HB2 . 25935 1 418 . 1 1 33 33 ALA HB3 H 1 1.270 0.030 . 1 . . . A 33 ALA HB3 . 25935 1 419 . 1 1 33 33 ALA CA C 13 50.249 0.300 . 1 . . . A 33 ALA CA . 25935 1 420 . 1 1 33 33 ALA CB C 13 18.790 0.300 . 1 . . . A 33 ALA CB . 25935 1 421 . 1 1 33 33 ALA N N 15 127.154 0.300 . 1 . . . A 33 ALA N . 25935 1 422 . 1 1 34 34 PRO HA H 1 4.321 0.030 . 1 . . . A 34 PRO HA . 25935 1 423 . 1 1 34 34 PRO HB2 H 1 1.890 0.030 . 2 . . . A 34 PRO HB2 . 25935 1 424 . 1 1 34 34 PRO HB3 H 1 2.250 0.030 . 2 . . . A 34 PRO HB3 . 25935 1 425 . 1 1 34 34 PRO HG2 H 1 1.950 0.030 . 1 . . . A 34 PRO HG2 . 25935 1 426 . 1 1 34 34 PRO HG3 H 1 1.950 0.030 . 1 . . . A 34 PRO HG3 . 25935 1 427 . 1 1 34 34 PRO HD2 H 1 3.540 0.030 . 1 . . . A 34 PRO HD2 . 25935 1 428 . 1 1 34 34 PRO HD3 H 1 3.540 0.030 . 1 . . . A 34 PRO HD3 . 25935 1 429 . 1 1 34 34 PRO C C 13 176.641 0.300 . 1 . . . A 34 PRO C . 25935 1 430 . 1 1 34 34 PRO CA C 13 63.002 0.300 . 1 . . . A 34 PRO CA . 25935 1 431 . 1 1 34 34 PRO CB C 13 32.080 0.300 . 1 . . . A 34 PRO CB . 25935 1 432 . 1 1 34 34 PRO CG C 13 27.276 0.300 . 1 . . . A 34 PRO CG . 25935 1 433 . 1 1 34 34 PRO CD C 13 50.376 0.300 . 1 . . . A 34 PRO CD . 25935 1 434 . 1 1 35 35 ALA H H 1 8.301 0.030 . 1 . . . A 35 ALA H . 25935 1 435 . 1 1 35 35 ALA HA H 1 4.245 0.030 . 1 . . . A 35 ALA HA . 25935 1 436 . 1 1 35 35 ALA HB1 H 1 1.386 0.030 . 1 . . . A 35 ALA HB1 . 25935 1 437 . 1 1 35 35 ALA HB2 H 1 1.386 0.030 . 1 . . . A 35 ALA HB2 . 25935 1 438 . 1 1 35 35 ALA HB3 H 1 1.386 0.030 . 1 . . . A 35 ALA HB3 . 25935 1 439 . 1 1 35 35 ALA C C 13 177.827 0.300 . 1 . . . A 35 ALA C . 25935 1 440 . 1 1 35 35 ALA CA C 13 52.564 0.300 . 1 . . . A 35 ALA CA . 25935 1 441 . 1 1 35 35 ALA CB C 13 19.166 0.300 . 1 . . . A 35 ALA CB . 25935 1 442 . 1 1 35 35 ALA N N 15 123.287 0.300 . 1 . . . A 35 ALA N . 25935 1 443 . 1 1 36 36 ARG H H 1 8.175 0.030 . 1 . . . A 36 ARG H . 25935 1 444 . 1 1 36 36 ARG HA H 1 4.216 0.030 . 1 . . . A 36 ARG HA . 25935 1 445 . 1 1 36 36 ARG HB2 H 1 1.732 0.030 . 2 . . . A 36 ARG HB2 . 25935 1 446 . 1 1 36 36 ARG HB3 H 1 1.669 0.030 . 2 . . . A 36 ARG HB3 . 25935 1 447 . 1 1 36 36 ARG HG2 H 1 1.540 0.030 . 1 . . . A 36 ARG HG2 . 25935 1 448 . 1 1 36 36 ARG HG3 H 1 1.540 0.030 . 1 . . . A 36 ARG HG3 . 25935 1 449 . 1 1 36 36 ARG HD2 H 1 3.132 0.030 . 1 . . . A 36 ARG HD2 . 25935 1 450 . 1 1 36 36 ARG HD3 H 1 3.132 0.030 . 1 . . . A 36 ARG HD3 . 25935 1 451 . 1 1 36 36 ARG HE H 1 7.373 0.030 . 1 . . . A 36 ARG HE . 25935 1 452 . 1 1 36 36 ARG C C 13 175.754 0.300 . 1 . . . A 36 ARG C . 25935 1 453 . 1 1 36 36 ARG CA C 13 56.124 0.300 . 1 . . . A 36 ARG CA . 25935 1 454 . 1 1 36 36 ARG CB C 13 30.666 0.300 . 1 . . . A 36 ARG CB . 25935 1 455 . 1 1 36 36 ARG CG C 13 27.020 0.300 . 1 . . . A 36 ARG CG . 25935 1 456 . 1 1 36 36 ARG CD C 13 43.500 0.300 . 1 . . . A 36 ARG CD . 25935 1 457 . 1 1 36 36 ARG N N 15 119.435 0.300 . 1 . . . A 36 ARG N . 25935 1 458 . 1 1 36 36 ARG NE N 15 84.683 0.300 . 1 . . . A 36 ARG NE . 25935 1 459 . 1 1 37 37 ASP H H 1 8.183 0.030 . 1 . . . A 37 ASP H . 25935 1 460 . 1 1 37 37 ASP HA H 1 4.564 0.030 . 1 . . . A 37 ASP HA . 25935 1 461 . 1 1 37 37 ASP HB2 H 1 2.549 0.030 . 2 . . . A 37 ASP HB2 . 25935 1 462 . 1 1 37 37 ASP HB3 H 1 2.654 0.030 . 2 . . . A 37 ASP HB3 . 25935 1 463 . 1 1 37 37 ASP C C 13 176.142 0.300 . 1 . . . A 37 ASP C . 25935 1 464 . 1 1 37 37 ASP CA C 13 54.205 0.300 . 1 . . . A 37 ASP CA . 25935 1 465 . 1 1 37 37 ASP CB C 13 41.090 0.300 . 1 . . . A 37 ASP CB . 25935 1 466 . 1 1 37 37 ASP N N 15 120.525 0.300 . 1 . . . A 37 ASP N . 25935 1 467 . 1 1 38 38 PHE H H 1 8.157 0.030 . 1 . . . A 38 PHE H . 25935 1 468 . 1 1 38 38 PHE HA H 1 4.504 0.030 . 1 . . . A 38 PHE HA . 25935 1 469 . 1 1 38 38 PHE HB2 H 1 3.040 0.030 . 2 . . . A 38 PHE HB2 . 25935 1 470 . 1 1 38 38 PHE HB3 H 1 3.180 0.030 . 2 . . . A 38 PHE HB3 . 25935 1 471 . 1 1 38 38 PHE HD1 H 1 7.277 0.030 . 1 . . . A 38 PHE HD1 . 25935 1 472 . 1 1 38 38 PHE HD2 H 1 7.277 0.030 . 1 . . . A 38 PHE HD2 . 25935 1 473 . 1 1 38 38 PHE HE1 H 1 7.277 0.030 . 1 . . . A 38 PHE HE1 . 25935 1 474 . 1 1 38 38 PHE HE2 H 1 7.277 0.030 . 1 . . . A 38 PHE HE2 . 25935 1 475 . 1 1 38 38 PHE HZ H 1 7.184 0.030 . 1 . . . A 38 PHE HZ . 25935 1 476 . 1 1 38 38 PHE C C 13 175.788 0.300 . 1 . . . A 38 PHE C . 25935 1 477 . 1 1 38 38 PHE CA C 13 58.372 0.300 . 1 . . . A 38 PHE CA . 25935 1 478 . 1 1 38 38 PHE CB C 13 39.298 0.300 . 1 . . . A 38 PHE CB . 25935 1 479 . 1 1 38 38 PHE CD1 C 13 131.970 0.300 . 1 . . . A 38 PHE CD1 . 25935 1 480 . 1 1 38 38 PHE CD2 C 13 131.970 0.300 . 1 . . . A 38 PHE CD2 . 25935 1 481 . 1 1 38 38 PHE CE1 C 13 131.232 0.300 . 1 . . . A 38 PHE CE1 . 25935 1 482 . 1 1 38 38 PHE CE2 C 13 131.232 0.300 . 1 . . . A 38 PHE CE2 . 25935 1 483 . 1 1 38 38 PHE CZ C 13 129.514 0.300 . 1 . . . A 38 PHE CZ . 25935 1 484 . 1 1 38 38 PHE N N 15 120.877 0.300 . 1 . . . A 38 PHE N . 25935 1 485 . 1 1 39 39 ALA H H 1 8.124 0.030 . 1 . . . A 39 ALA H . 25935 1 486 . 1 1 39 39 ALA HA H 1 4.205 0.030 . 1 . . . A 39 ALA HA . 25935 1 487 . 1 1 39 39 ALA HB1 H 1 1.336 0.030 . 1 . . . A 39 ALA HB1 . 25935 1 488 . 1 1 39 39 ALA HB2 H 1 1.336 0.030 . 1 . . . A 39 ALA HB2 . 25935 1 489 . 1 1 39 39 ALA HB3 H 1 1.336 0.030 . 1 . . . A 39 ALA HB3 . 25935 1 490 . 1 1 39 39 ALA C C 13 177.328 0.300 . 1 . . . A 39 ALA C . 25935 1 491 . 1 1 39 39 ALA CA C 13 52.875 0.300 . 1 . . . A 39 ALA CA . 25935 1 492 . 1 1 39 39 ALA CB C 13 19.056 0.300 . 1 . . . A 39 ALA CB . 25935 1 493 . 1 1 39 39 ALA N N 15 123.938 0.300 . 1 . . . A 39 ALA N . 25935 1 494 . 1 1 40 40 ALA H H 1 7.882 0.030 . 1 . . . A 40 ALA H . 25935 1 495 . 1 1 40 40 ALA HA H 1 4.203 0.030 . 1 . . . A 40 ALA HA . 25935 1 496 . 1 1 40 40 ALA HB1 H 1 1.294 0.030 . 1 . . . A 40 ALA HB1 . 25935 1 497 . 1 1 40 40 ALA HB2 H 1 1.294 0.030 . 1 . . . A 40 ALA HB2 . 25935 1 498 . 1 1 40 40 ALA HB3 H 1 1.294 0.030 . 1 . . . A 40 ALA HB3 . 25935 1 499 . 1 1 40 40 ALA C C 13 177.217 0.300 . 1 . . . A 40 ALA C . 25935 1 500 . 1 1 40 40 ALA CA C 13 52.520 0.300 . 1 . . . A 40 ALA CA . 25935 1 501 . 1 1 40 40 ALA CB C 13 19.056 0.300 . 1 . . . A 40 ALA CB . 25935 1 502 . 1 1 40 40 ALA N N 15 121.465 0.300 . 1 . . . A 40 ALA N . 25935 1 503 . 1 1 41 41 TYR H H 1 7.929 0.030 . 1 . . . A 41 TYR H . 25935 1 504 . 1 1 41 41 TYR HA H 1 4.490 0.030 . 1 . . . A 41 TYR HA . 25935 1 505 . 1 1 41 41 TYR HB2 H 1 2.971 0.030 . 1 . . . A 41 TYR HB2 . 25935 1 506 . 1 1 41 41 TYR HB3 H 1 2.971 0.030 . 1 . . . A 41 TYR HB3 . 25935 1 507 . 1 1 41 41 TYR HD1 H 1 7.098 0.030 . 1 . . . A 41 TYR HD1 . 25935 1 508 . 1 1 41 41 TYR HD2 H 1 7.098 0.030 . 1 . . . A 41 TYR HD2 . 25935 1 509 . 1 1 41 41 TYR HE1 H 1 6.830 0.030 . 1 . . . A 41 TYR HE1 . 25935 1 510 . 1 1 41 41 TYR HE2 H 1 6.830 0.030 . 1 . . . A 41 TYR HE2 . 25935 1 511 . 1 1 41 41 TYR C C 13 174.912 0.300 . 1 . . . A 41 TYR C . 25935 1 512 . 1 1 41 41 TYR CA C 13 57.851 0.300 . 1 . . . A 41 TYR CA . 25935 1 513 . 1 1 41 41 TYR CB C 13 38.725 0.300 . 1 . . . A 41 TYR CB . 25935 1 514 . 1 1 41 41 TYR CD1 C 13 133.103 0.300 . 1 . . . A 41 TYR CD1 . 25935 1 515 . 1 1 41 41 TYR CD2 C 13 133.103 0.300 . 1 . . . A 41 TYR CD2 . 25935 1 516 . 1 1 41 41 TYR CE1 C 13 118.140 0.300 . 1 . . . A 41 TYR CE1 . 25935 1 517 . 1 1 41 41 TYR CE2 C 13 118.140 0.300 . 1 . . . A 41 TYR CE2 . 25935 1 518 . 1 1 41 41 TYR N N 15 119.040 0.300 . 1 . . . A 41 TYR N . 25935 1 519 . 1 1 42 42 ARG H H 1 7.855 0.030 . 1 . . . A 42 ARG H . 25935 1 520 . 1 1 42 42 ARG HA H 1 4.530 0.030 . 1 . . . A 42 ARG HA . 25935 1 521 . 1 1 42 42 ARG HB2 H 1 1.780 0.030 . 2 . . . A 42 ARG HB2 . 25935 1 522 . 1 1 42 42 ARG HB3 H 1 1.646 0.030 . 2 . . . A 42 ARG HB3 . 25935 1 523 . 1 1 42 42 ARG HG2 H 1 1.642 0.030 . 1 . . . A 42 ARG HG2 . 25935 1 524 . 1 1 42 42 ARG HG3 H 1 1.642 0.030 . 1 . . . A 42 ARG HG3 . 25935 1 525 . 1 1 42 42 ARG HD2 H 1 3.160 0.030 . 1 . . . A 42 ARG HD2 . 25935 1 526 . 1 1 42 42 ARG HD3 H 1 3.160 0.030 . 1 . . . A 42 ARG HD3 . 25935 1 527 . 1 1 42 42 ARG HE H 1 7.376 0.030 . 1 . . . A 42 ARG HE . 25935 1 528 . 1 1 42 42 ARG CA C 13 53.187 0.300 . 1 . . . A 42 ARG CA . 25935 1 529 . 1 1 42 42 ARG CB C 13 30.746 0.300 . 1 . . . A 42 ARG CB . 25935 1 530 . 1 1 42 42 ARG CG C 13 27.276 0.300 . 1 . . . A 42 ARG CG . 25935 1 531 . 1 1 42 42 ARG CD C 13 43.500 0.300 . 1 . . . A 42 ARG CD . 25935 1 532 . 1 1 42 42 ARG N N 15 124.965 0.300 . 1 . . . A 42 ARG N . 25935 1 533 . 1 1 42 42 ARG NE N 15 84.723 0.300 . 1 . . . A 42 ARG NE . 25935 1 534 . 1 1 43 43 PRO HA H 1 4.157 0.030 . 1 . . . A 43 PRO HA . 25935 1 535 . 1 1 43 43 PRO HB2 H 1 1.900 0.030 . 2 . . . A 43 PRO HB2 . 25935 1 536 . 1 1 43 43 PRO HB3 H 1 2.215 0.030 . 2 . . . A 43 PRO HB3 . 25935 1 537 . 1 1 43 43 PRO HG2 H 1 1.921 0.030 . 1 . . . A 43 PRO HG2 . 25935 1 538 . 1 1 43 43 PRO HG3 H 1 1.921 0.030 . 1 . . . A 43 PRO HG3 . 25935 1 539 . 1 1 43 43 PRO HD2 H 1 3.513 0.030 . 2 . . . A 43 PRO HD2 . 25935 1 540 . 1 1 43 43 PRO HD3 H 1 3.458 0.030 . 2 . . . A 43 PRO HD3 . 25935 1 541 . 1 1 43 43 PRO CA C 13 64.599 0.300 . 1 . . . A 43 PRO CA . 25935 1 542 . 1 1 43 43 PRO CB C 13 32.090 0.300 . 1 . . . A 43 PRO CB . 25935 1 543 . 1 1 43 43 PRO CG C 13 27.076 0.300 . 1 . . . A 43 PRO CG . 25935 1 544 . 1 1 43 43 PRO CD C 13 50.423 0.300 . 1 . . . A 43 PRO CD . 25935 1 stop_ save_