data_25158 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25158 _Entry.Title ; Solution structure of Doc48S ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-08-18 _Entry.Accession_date 2014-08-18 _Entry.Last_release_date 2016-09-28 _Entry.Original_release_date 2016-09-28 _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 Chao Chen . . . . 25158 2 Yingang Feng . . . . 25158 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' . 25158 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Calcium-binding protein' . 25158 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25158 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 299 25158 '15N chemical shifts' 78 25158 '1H chemical shifts' 482 25158 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 2 . . 2016-09-28 2014-08-18 update BMRB 'update entry citation' 25158 1 . . 2014-10-13 2014-08-18 original author 'original release' 25158 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MTE 'BMRB Entry Tracking System' 25158 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25158 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25270376 _Citation.Full_citation . _Citation.Title ; Revisiting the NMR solution structure of the Cel48S type-I dockerin module from Clostridium thermocellum reveals a cohesin-primed conformation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Struct. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 188 _Citation.Journal_issue 2 _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 188 _Citation.Page_last 193 _Citation.Year 2014 _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 Chao Chen . . . . 25158 1 2 Zhenling Cui . . . . 25158 1 3 Yan Xiao . . . . 25158 1 4 Qiu Cui . . . . 25158 1 5 Steven Smith . P. . . 25158 1 6 Raphael Lamed . . . . 25158 1 7 Edward Bayer . A. . . 25158 1 8 Yingang Feng . . . . 25158 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25158 _Assembly.ID 1 _Assembly.Name 'Doc48S monomer' _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 1 $entity_1 A . yes native no no . . . 25158 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 25158 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; STKLYGDVNDDGKVNSTDAV ALKRYVLRSGISINTDNADL NEDGRVNSTDLGILKRYILK EIDTLPYKN ; _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 69 _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 7670.590 _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 1 SER . 25158 1 2 2 THR . 25158 1 3 3 LYS . 25158 1 4 4 LEU . 25158 1 5 5 TYR . 25158 1 6 6 GLY . 25158 1 7 7 ASP . 25158 1 8 8 VAL . 25158 1 9 9 ASN . 25158 1 10 10 ASP . 25158 1 11 11 ASP . 25158 1 12 12 GLY . 25158 1 13 13 LYS . 25158 1 14 14 VAL . 25158 1 15 15 ASN . 25158 1 16 16 SER . 25158 1 17 17 THR . 25158 1 18 18 ASP . 25158 1 19 19 ALA . 25158 1 20 20 VAL . 25158 1 21 21 ALA . 25158 1 22 22 LEU . 25158 1 23 23 LYS . 25158 1 24 24 ARG . 25158 1 25 25 TYR . 25158 1 26 26 VAL . 25158 1 27 27 LEU . 25158 1 28 28 ARG . 25158 1 29 29 SER . 25158 1 30 30 GLY . 25158 1 31 31 ILE . 25158 1 32 32 SER . 25158 1 33 33 ILE . 25158 1 34 34 ASN . 25158 1 35 35 THR . 25158 1 36 36 ASP . 25158 1 37 37 ASN . 25158 1 38 38 ALA . 25158 1 39 39 ASP . 25158 1 40 40 LEU . 25158 1 41 41 ASN . 25158 1 42 42 GLU . 25158 1 43 43 ASP . 25158 1 44 44 GLY . 25158 1 45 45 ARG . 25158 1 46 46 VAL . 25158 1 47 47 ASN . 25158 1 48 48 SER . 25158 1 49 49 THR . 25158 1 50 50 ASP . 25158 1 51 51 LEU . 25158 1 52 52 GLY . 25158 1 53 53 ILE . 25158 1 54 54 LEU . 25158 1 55 55 LYS . 25158 1 56 56 ARG . 25158 1 57 57 TYR . 25158 1 58 58 ILE . 25158 1 59 59 LEU . 25158 1 60 60 LYS . 25158 1 61 61 GLU . 25158 1 62 62 ILE . 25158 1 63 63 ASP . 25158 1 64 64 THR . 25158 1 65 65 LEU . 25158 1 66 66 PRO . 25158 1 67 67 TYR . 25158 1 68 68 LYS . 25158 1 69 69 ASN . 25158 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 . SER 1 1 25158 1 . THR 2 2 25158 1 . LYS 3 3 25158 1 . LEU 4 4 25158 1 . TYR 5 5 25158 1 . GLY 6 6 25158 1 . ASP 7 7 25158 1 . VAL 8 8 25158 1 . ASN 9 9 25158 1 . ASP 10 10 25158 1 . ASP 11 11 25158 1 . GLY 12 12 25158 1 . LYS 13 13 25158 1 . VAL 14 14 25158 1 . ASN 15 15 25158 1 . SER 16 16 25158 1 . THR 17 17 25158 1 . ASP 18 18 25158 1 . ALA 19 19 25158 1 . VAL 20 20 25158 1 . ALA 21 21 25158 1 . LEU 22 22 25158 1 . LYS 23 23 25158 1 . ARG 24 24 25158 1 . TYR 25 25 25158 1 . VAL 26 26 25158 1 . LEU 27 27 25158 1 . ARG 28 28 25158 1 . SER 29 29 25158 1 . GLY 30 30 25158 1 . ILE 31 31 25158 1 . SER 32 32 25158 1 . ILE 33 33 25158 1 . ASN 34 34 25158 1 . THR 35 35 25158 1 . ASP 36 36 25158 1 . ASN 37 37 25158 1 . ALA 38 38 25158 1 . ASP 39 39 25158 1 . LEU 40 40 25158 1 . ASN 41 41 25158 1 . GLU 42 42 25158 1 . ASP 43 43 25158 1 . GLY 44 44 25158 1 . ARG 45 45 25158 1 . VAL 46 46 25158 1 . ASN 47 47 25158 1 . SER 48 48 25158 1 . THR 49 49 25158 1 . ASP 50 50 25158 1 . LEU 51 51 25158 1 . GLY 52 52 25158 1 . ILE 53 53 25158 1 . LEU 54 54 25158 1 . LYS 55 55 25158 1 . ARG 56 56 25158 1 . TYR 57 57 25158 1 . ILE 58 58 25158 1 . LEU 59 59 25158 1 . LYS 60 60 25158 1 . GLU 61 61 25158 1 . ILE 62 62 25158 1 . ASP 63 63 25158 1 . THR 64 64 25158 1 . LEU 65 65 25158 1 . PRO 66 66 25158 1 . TYR 67 67 25158 1 . LYS 68 68 25158 1 . ASN 69 69 25158 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 25158 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 1515 organism . 'Clostridium thermocellum' firmicutes . . Bacteria . Clostridium thermocellum . . . . . . . . . . . . . 25158 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 25158 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28a-SMT3 . . . 25158 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25158 _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 entity_1 '[U-13C; U-15N]' . . 1 $entity_1 . . . 0.3 0.5 mM . . . . 25158 1 2 Bis-Tris 'natural abundance' . . . . . . 50 . . mM . . . . 25158 1 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25158 1 4 CaCl2 'natural abundance' . . . . . . 20 . . mM . . . . 25158 1 5 DSS 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 25158 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25158 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25158 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 25158 _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' 150 . mM 25158 1 pH 6.6 . pH 25158 1 pressure 1 . atm 25158 1 temperature 298 . K 25158 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25158 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25158 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25158 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25158 _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' . . 25158 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25158 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 25158 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 25158 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25158 3 'data analysis' 25158 3 'peak picking' 25158 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25158 _Software.ID 4 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25158 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25158 4 stop_ save_ save_SANE _Software.Sf_category software _Software.Sf_framecode SANE _Software.Entry_ID 25158 _Software.ID 5 _Software.Name SANE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Duggan, Legge, Dyson & Wright' . . 25158 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25158 5 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25158 _Software.ID 6 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 25158 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25158 6 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 25158 _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 25158 _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 . . . 25158 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 25158 _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 . . . . . . . . . . . . . . . . 25158 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25158 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25158 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25158 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25158 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25158 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25158 1 8 '3D HBHANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25158 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25158 1 10 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25158 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25158 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25158 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25158 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 25158 _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 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25158 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25158 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25158 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 25158 _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' . . . 25158 1 2 '2D 1H-13C HSQC' . . . 25158 1 3 '3D HNCACB' . . . 25158 1 4 '3D CBCA(CO)NH' . . . 25158 1 5 '3D HNCO' . . . 25158 1 6 '3D HN(CA)CO' . . . 25158 1 7 '3D HBHA(CO)NH' . . . 25158 1 8 '3D HBHANH' . . . 25158 1 9 '3D HCCH-TOCSY' . . . 25158 1 10 '3D CCH-TOCSY' . . . 25158 1 11 '3D 1H-15N NOESY' . . . 25158 1 12 '3D 1H-13C NOESY aliphatic' . . . 25158 1 13 '3D 1H-13C NOESY aromatic' . . . 25158 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 SER HA H 1 4.1890 0.02 . 1 . . . A 1 SER HA . 25158 1 2 . 1 1 1 1 SER HB2 H 1 3.9700 0.02 . 2 . . . A 1 SER HB2 . 25158 1 3 . 1 1 1 1 SER HB3 H 1 3.9700 0.02 . 2 . . . A 1 SER HB3 . 25158 1 4 . 1 1 1 1 SER C C 13 170.9740 0.3 . 1 . . . A 1 SER C . 25158 1 5 . 1 1 1 1 SER CA C 13 57.4177 0.3 . 1 . . . A 1 SER CA . 25158 1 6 . 1 1 1 1 SER CB C 13 63.2600 0.3 . 1 . . . A 1 SER CB . 25158 1 7 . 1 1 2 2 THR H H 1 8.6570 0.02 . 1 . . . A 2 THR H . 25158 1 8 . 1 1 2 2 THR HA H 1 4.3130 0.02 . 1 . . . A 2 THR HA . 25158 1 9 . 1 1 2 2 THR HB H 1 4.0860 0.02 . 1 . . . A 2 THR HB . 25158 1 10 . 1 1 2 2 THR HG21 H 1 1.1330 0.02 . 1 . . . A 2 THR HG21 . 25158 1 11 . 1 1 2 2 THR HG22 H 1 1.1330 0.02 . 1 . . . A 2 THR HG22 . 25158 1 12 . 1 1 2 2 THR HG23 H 1 1.1330 0.02 . 1 . . . A 2 THR HG23 . 25158 1 13 . 1 1 2 2 THR C C 13 173.9680 0.3 . 1 . . . A 2 THR C . 25158 1 14 . 1 1 2 2 THR CA C 13 62.3260 0.3 . 1 . . . A 2 THR CA . 25158 1 15 . 1 1 2 2 THR CB C 13 70.1540 0.3 . 1 . . . A 2 THR CB . 25158 1 16 . 1 1 2 2 THR CG2 C 13 21.4380 0.3 . 1 . . . A 2 THR CG2 . 25158 1 17 . 1 1 2 2 THR N N 15 116.7000 0.2 . 1 . . . A 2 THR N . 25158 1 18 . 1 1 3 3 LYS H H 1 8.3180 0.02 . 1 . . . A 3 LYS H . 25158 1 19 . 1 1 3 3 LYS HA H 1 4.0650 0.02 . 1 . . . A 3 LYS HA . 25158 1 20 . 1 1 3 3 LYS HB2 H 1 1.3370 0.02 . 1 . . . A 3 LYS HB2 . 25158 1 21 . 1 1 3 3 LYS HB3 H 1 1.3370 0.02 . 1 . . . A 3 LYS HB3 . 25158 1 22 . 1 1 3 3 LYS HG2 H 1 0.8700 0.02 . 1 . . . A 3 LYS HG2 . 25158 1 23 . 1 1 3 3 LYS HG3 H 1 1.0600 0.02 . 1 . . . A 3 LYS HG3 . 25158 1 24 . 1 1 3 3 LYS HD2 H 1 1.3450 0.02 . 1 . . . A 3 LYS HD2 . 25158 1 25 . 1 1 3 3 LYS HD3 H 1 1.3450 0.02 . 1 . . . A 3 LYS HD3 . 25158 1 26 . 1 1 3 3 LYS HE2 H 1 2.6270 0.02 . 1 . . . A 3 LYS HE2 . 25158 1 27 . 1 1 3 3 LYS HE3 H 1 2.7150 0.02 . 1 . . . A 3 LYS HE3 . 25158 1 28 . 1 1 3 3 LYS C C 13 174.9260 0.3 . 1 . . . A 3 LYS C . 25158 1 29 . 1 1 3 3 LYS CA C 13 56.8390 0.3 . 1 . . . A 3 LYS CA . 25158 1 30 . 1 1 3 3 LYS CB C 13 32.7770 0.3 . 1 . . . A 3 LYS CB . 25158 1 31 . 1 1 3 3 LYS CG C 13 24.5300 0.3 . 1 . . . A 3 LYS CG . 25158 1 32 . 1 1 3 3 LYS CD C 13 29.1900 0.3 . 1 . . . A 3 LYS CD . 25158 1 33 . 1 1 3 3 LYS CE C 13 42.0000 0.3 . 1 . . . A 3 LYS CE . 25158 1 34 . 1 1 3 3 LYS N N 15 125.5000 0.2 . 1 . . . A 3 LYS N . 25158 1 35 . 1 1 4 4 LEU H H 1 7.7260 0.02 . 1 . . . A 4 LEU H . 25158 1 36 . 1 1 4 4 LEU HA H 1 4.4830 0.02 . 1 . . . A 4 LEU HA . 25158 1 37 . 1 1 4 4 LEU HB2 H 1 1.2080 0.02 . 1 . . . A 4 LEU HB2 . 25158 1 38 . 1 1 4 4 LEU HB3 H 1 1.8180 0.02 . 1 . . . A 4 LEU HB3 . 25158 1 39 . 1 1 4 4 LEU HG H 1 1.2180 0.02 . 1 . . . A 4 LEU HG . 25158 1 40 . 1 1 4 4 LEU HD11 H 1 0.7120 0.02 . 1 . . . A 4 LEU HD11 . 25158 1 41 . 1 1 4 4 LEU HD12 H 1 0.7120 0.02 . 1 . . . A 4 LEU HD12 . 25158 1 42 . 1 1 4 4 LEU HD13 H 1 0.7120 0.02 . 1 . . . A 4 LEU HD13 . 25158 1 43 . 1 1 4 4 LEU HD21 H 1 0.8740 0.02 . 1 . . . A 4 LEU HD21 . 25158 1 44 . 1 1 4 4 LEU HD22 H 1 0.8740 0.02 . 1 . . . A 4 LEU HD22 . 25158 1 45 . 1 1 4 4 LEU HD23 H 1 0.8740 0.02 . 1 . . . A 4 LEU HD23 . 25158 1 46 . 1 1 4 4 LEU C C 13 174.7340 0.3 . 1 . . . A 4 LEU C . 25158 1 47 . 1 1 4 4 LEU CA C 13 53.2590 0.3 . 1 . . . A 4 LEU CA . 25158 1 48 . 1 1 4 4 LEU CB C 13 40.9290 0.3 . 1 . . . A 4 LEU CB . 25158 1 49 . 1 1 4 4 LEU CG C 13 26.9300 0.3 . 1 . . . A 4 LEU CG . 25158 1 50 . 1 1 4 4 LEU CD1 C 13 25.0300 0.3 . 2 . . . A 4 LEU CD1 . 25158 1 51 . 1 1 4 4 LEU CD2 C 13 23.3400 0.3 . 2 . . . A 4 LEU CD2 . 25158 1 52 . 1 1 4 4 LEU N N 15 127.4730 0.2 . 1 . . . A 4 LEU N . 25158 1 53 . 1 1 5 5 TYR H H 1 7.8160 0.02 . 1 . . . A 5 TYR H . 25158 1 54 . 1 1 5 5 TYR HA H 1 3.6230 0.02 . 1 . . . A 5 TYR HA . 25158 1 55 . 1 1 5 5 TYR HB2 H 1 2.4460 0.02 . 1 . . . A 5 TYR HB2 . 25158 1 56 . 1 1 5 5 TYR HB3 H 1 2.4460 0.02 . 1 . . . A 5 TYR HB3 . 25158 1 57 . 1 1 5 5 TYR HD1 H 1 6.9990 0.02 . 3 . . . A 5 TYR HD1 . 25158 1 58 . 1 1 5 5 TYR HD2 H 1 6.9990 0.02 . 3 . . . A 5 TYR HD2 . 25158 1 59 . 1 1 5 5 TYR HE1 H 1 6.9310 0.02 . 3 . . . A 5 TYR HE1 . 25158 1 60 . 1 1 5 5 TYR HE2 H 1 6.9310 0.02 . 3 . . . A 5 TYR HE2 . 25158 1 61 . 1 1 5 5 TYR C C 13 175.4060 0.3 . 1 . . . A 5 TYR C . 25158 1 62 . 1 1 5 5 TYR CA C 13 61.8120 0.3 . 1 . . . A 5 TYR CA . 25158 1 63 . 1 1 5 5 TYR CB C 13 39.1100 0.3 . 1 . . . A 5 TYR CB . 25158 1 64 . 1 1 5 5 TYR CD1 C 13 132.6410 0.3 . 3 . . . A 5 TYR CD1 . 25158 1 65 . 1 1 5 5 TYR CD2 C 13 132.6410 0.3 . 3 . . . A 5 TYR CD2 . 25158 1 66 . 1 1 5 5 TYR CE1 C 13 119.2780 0.3 . 3 . . . A 5 TYR CE1 . 25158 1 67 . 1 1 5 5 TYR CE2 C 13 119.2780 0.3 . 3 . . . A 5 TYR CE2 . 25158 1 68 . 1 1 5 5 TYR N N 15 123.0740 0.2 . 1 . . . A 5 TYR N . 25158 1 69 . 1 1 6 6 GLY H H 1 8.9150 0.02 . 1 . . . A 6 GLY H . 25158 1 70 . 1 1 6 6 GLY HA2 H 1 4.2120 0.02 . 1 . . . A 6 GLY HA2 . 25158 1 71 . 1 1 6 6 GLY HA3 H 1 3.1680 0.02 . 1 . . . A 6 GLY HA3 . 25158 1 72 . 1 1 6 6 GLY C C 13 172.5850 0.3 . 1 . . . A 6 GLY C . 25158 1 73 . 1 1 6 6 GLY CA C 13 45.3870 0.3 . 1 . . . A 6 GLY CA . 25158 1 74 . 1 1 6 6 GLY N N 15 108.6140 0.2 . 1 . . . A 6 GLY N . 25158 1 75 . 1 1 7 7 ASP H H 1 7.9760 0.02 . 1 . . . A 7 ASP H . 25158 1 76 . 1 1 7 7 ASP HA H 1 4.9840 0.02 . 1 . . . A 7 ASP HA . 25158 1 77 . 1 1 7 7 ASP HB2 H 1 2.9980 0.02 . 1 . . . A 7 ASP HB2 . 25158 1 78 . 1 1 7 7 ASP HB3 H 1 2.0240 0.02 . 1 . . . A 7 ASP HB3 . 25158 1 79 . 1 1 7 7 ASP C C 13 177.8060 0.3 . 1 . . . A 7 ASP C . 25158 1 80 . 1 1 7 7 ASP CA C 13 52.1920 0.3 . 1 . . . A 7 ASP CA . 25158 1 81 . 1 1 7 7 ASP CB C 13 39.1500 0.3 . 1 . . . A 7 ASP CB . 25158 1 82 . 1 1 7 7 ASP N N 15 118.0230 0.2 . 1 . . . A 7 ASP N . 25158 1 83 . 1 1 8 8 VAL H H 1 8.1560 0.02 . 1 . . . A 8 VAL H . 25158 1 84 . 1 1 8 8 VAL HA H 1 3.9830 0.02 . 1 . . . A 8 VAL HA . 25158 1 85 . 1 1 8 8 VAL HB H 1 2.2710 0.02 . 1 . . . A 8 VAL HB . 25158 1 86 . 1 1 8 8 VAL HG11 H 1 0.7880 0.02 . 1 . . . A 8 VAL HG11 . 25158 1 87 . 1 1 8 8 VAL HG12 H 1 0.7880 0.02 . 1 . . . A 8 VAL HG12 . 25158 1 88 . 1 1 8 8 VAL HG13 H 1 0.7880 0.02 . 1 . . . A 8 VAL HG13 . 25158 1 89 . 1 1 8 8 VAL HG21 H 1 1.0540 0.02 . 1 . . . A 8 VAL HG21 . 25158 1 90 . 1 1 8 8 VAL HG22 H 1 1.0540 0.02 . 1 . . . A 8 VAL HG22 . 25158 1 91 . 1 1 8 8 VAL HG23 H 1 1.0540 0.02 . 1 . . . A 8 VAL HG23 . 25158 1 92 . 1 1 8 8 VAL C C 13 175.7170 0.3 . 1 . . . A 8 VAL C . 25158 1 93 . 1 1 8 8 VAL CA C 13 63.4460 0.3 . 1 . . . A 8 VAL CA . 25158 1 94 . 1 1 8 8 VAL CB C 13 31.2710 0.3 . 1 . . . A 8 VAL CB . 25158 1 95 . 1 1 8 8 VAL CG1 C 13 22.0090 0.3 . 2 . . . A 8 VAL CG1 . 25158 1 96 . 1 1 8 8 VAL CG2 C 13 21.0630 0.3 . 2 . . . A 8 VAL CG2 . 25158 1 97 . 1 1 8 8 VAL N N 15 120.2930 0.2 . 1 . . . A 8 VAL N . 25158 1 98 . 1 1 9 9 ASN H H 1 8.0080 0.02 . 1 . . . A 9 ASN H . 25158 1 99 . 1 1 9 9 ASN HA H 1 4.9890 0.02 . 1 . . . A 9 ASN HA . 25158 1 100 . 1 1 9 9 ASN HB2 H 1 3.3610 0.02 . 1 . . . A 9 ASN HB2 . 25158 1 101 . 1 1 9 9 ASN HB3 H 1 2.2470 0.02 . 1 . . . A 9 ASN HB3 . 25158 1 102 . 1 1 9 9 ASN HD21 H 1 6.6380 0.02 . 1 . . . A 9 ASN HD21 . 25158 1 103 . 1 1 9 9 ASN HD22 H 1 8.1220 0.02 . 1 . . . A 9 ASN HD22 . 25158 1 104 . 1 1 9 9 ASN C C 13 174.6260 0.3 . 1 . . . A 9 ASN C . 25158 1 105 . 1 1 9 9 ASN CA C 13 50.9500 0.3 . 1 . . . A 9 ASN CA . 25158 1 106 . 1 1 9 9 ASN CB C 13 37.7010 0.3 . 1 . . . A 9 ASN CB . 25158 1 107 . 1 1 9 9 ASN N N 15 115.2260 0.2 . 1 . . . A 9 ASN N . 25158 1 108 . 1 1 9 9 ASN ND2 N 15 111.7970 0.2 . 1 . . . A 9 ASN ND2 . 25158 1 109 . 1 1 10 10 ASP H H 1 7.3740 0.02 . 1 . . . A 10 ASP H . 25158 1 110 . 1 1 10 10 ASP HA H 1 4.4360 0.02 . 1 . . . A 10 ASP HA . 25158 1 111 . 1 1 10 10 ASP HB2 H 1 3.1090 0.02 . 1 . . . A 10 ASP HB2 . 25158 1 112 . 1 1 10 10 ASP HB3 H 1 2.4500 0.02 . 1 . . . A 10 ASP HB3 . 25158 1 113 . 1 1 10 10 ASP C C 13 175.1250 0.3 . 1 . . . A 10 ASP C . 25158 1 114 . 1 1 10 10 ASP CA C 13 56.2350 0.3 . 1 . . . A 10 ASP CA . 25158 1 115 . 1 1 10 10 ASP CB C 13 40.2000 0.3 . 1 . . . A 10 ASP CB . 25158 1 116 . 1 1 10 10 ASP N N 15 115.6000 0.2 . 1 . . . A 10 ASP N . 25158 1 117 . 1 1 11 11 ASP H H 1 8.8010 0.02 . 1 . . . A 11 ASP H . 25158 1 118 . 1 1 11 11 ASP HA H 1 4.8170 0.02 . 1 . . . A 11 ASP HA . 25158 1 119 . 1 1 11 11 ASP HB2 H 1 3.1040 0.02 . 1 . . . A 11 ASP HB2 . 25158 1 120 . 1 1 11 11 ASP HB3 H 1 2.3500 0.02 . 1 . . . A 11 ASP HB3 . 25158 1 121 . 1 1 11 11 ASP C C 13 178.2990 0.3 . 1 . . . A 11 ASP C . 25158 1 122 . 1 1 11 11 ASP CA C 13 52.8210 0.3 . 1 . . . A 11 ASP CA . 25158 1 123 . 1 1 11 11 ASP CB C 13 41.1140 0.3 . 1 . . . A 11 ASP CB . 25158 1 124 . 1 1 11 11 ASP N N 15 118.4020 0.2 . 1 . . . A 11 ASP N . 25158 1 125 . 1 1 12 12 GLY H H 1 10.2930 0.02 . 1 . . . A 12 GLY H . 25158 1 126 . 1 1 12 12 GLY HA2 H 1 3.4030 0.02 . 1 . . . A 12 GLY HA2 . 25158 1 127 . 1 1 12 12 GLY HA3 H 1 4.1030 0.02 . 1 . . . A 12 GLY HA3 . 25158 1 128 . 1 1 12 12 GLY C C 13 173.2840 0.3 . 1 . . . A 12 GLY C . 25158 1 129 . 1 1 12 12 GLY CA C 13 45.6240 0.3 . 1 . . . A 12 GLY CA . 25158 1 130 . 1 1 12 12 GLY N N 15 112.3530 0.2 . 1 . . . A 12 GLY N . 25158 1 131 . 1 1 13 13 LYS H H 1 7.8480 0.02 . 1 . . . A 13 LYS H . 25158 1 132 . 1 1 13 13 LYS HA H 1 4.6590 0.02 . 1 . . . A 13 LYS HA . 25158 1 133 . 1 1 13 13 LYS HB2 H 1 1.6600 0.02 . 1 . . . A 13 LYS HB2 . 25158 1 134 . 1 1 13 13 LYS HB3 H 1 1.6600 0.02 . 1 . . . A 13 LYS HB3 . 25158 1 135 . 1 1 13 13 LYS HG2 H 1 1.2220 0.02 . 1 . . . A 13 LYS HG2 . 25158 1 136 . 1 1 13 13 LYS HG3 H 1 1.2870 0.02 . 1 . . . A 13 LYS HG3 . 25158 1 137 . 1 1 13 13 LYS HD2 H 1 1.6240 0.02 . 1 . . . A 13 LYS HD2 . 25158 1 138 . 1 1 13 13 LYS HD3 H 1 1.6240 0.02 . 1 . . . A 13 LYS HD3 . 25158 1 139 . 1 1 13 13 LYS HE2 H 1 2.9280 0.02 . 1 . . . A 13 LYS HE2 . 25158 1 140 . 1 1 13 13 LYS HE3 H 1 2.9280 0.02 . 1 . . . A 13 LYS HE3 . 25158 1 141 . 1 1 13 13 LYS C C 13 175.5950 0.3 . 1 . . . A 13 LYS C . 25158 1 142 . 1 1 13 13 LYS CA C 13 53.7580 0.3 . 1 . . . A 13 LYS CA . 25158 1 143 . 1 1 13 13 LYS CB C 13 36.3390 0.3 . 1 . . . A 13 LYS CB . 25158 1 144 . 1 1 13 13 LYS CG C 13 24.3660 0.3 . 1 . . . A 13 LYS CG . 25158 1 145 . 1 1 13 13 LYS CD C 13 29.0300 0.3 . 1 . . . A 13 LYS CD . 25158 1 146 . 1 1 13 13 LYS CE C 13 42.3880 0.3 . 1 . . . A 13 LYS CE . 25158 1 147 . 1 1 13 13 LYS N N 15 118.1180 0.2 . 1 . . . A 13 LYS N . 25158 1 148 . 1 1 14 14 VAL H H 1 9.1090 0.02 . 1 . . . A 14 VAL H . 25158 1 149 . 1 1 14 14 VAL HA H 1 4.7550 0.02 . 1 . . . A 14 VAL HA . 25158 1 150 . 1 1 14 14 VAL HB H 1 2.1560 0.02 . 1 . . . A 14 VAL HB . 25158 1 151 . 1 1 14 14 VAL HG11 H 1 0.9060 0.02 . 1 . . . A 14 VAL HG11 . 25158 1 152 . 1 1 14 14 VAL HG12 H 1 0.9060 0.02 . 1 . . . A 14 VAL HG12 . 25158 1 153 . 1 1 14 14 VAL HG13 H 1 0.9060 0.02 . 1 . . . A 14 VAL HG13 . 25158 1 154 . 1 1 14 14 VAL HG21 H 1 0.7320 0.02 . 1 . . . A 14 VAL HG21 . 25158 1 155 . 1 1 14 14 VAL HG22 H 1 0.7320 0.02 . 1 . . . A 14 VAL HG22 . 25158 1 156 . 1 1 14 14 VAL HG23 H 1 0.7320 0.02 . 1 . . . A 14 VAL HG23 . 25158 1 157 . 1 1 14 14 VAL C C 13 175.0520 0.3 . 1 . . . A 14 VAL C . 25158 1 158 . 1 1 14 14 VAL CA C 13 62.0700 0.3 . 1 . . . A 14 VAL CA . 25158 1 159 . 1 1 14 14 VAL CB C 13 31.4550 0.3 . 1 . . . A 14 VAL CB . 25158 1 160 . 1 1 14 14 VAL CG1 C 13 21.0380 0.3 . 2 . . . A 14 VAL CG1 . 25158 1 161 . 1 1 14 14 VAL CG2 C 13 20.8040 0.3 . 2 . . . A 14 VAL CG2 . 25158 1 162 . 1 1 14 14 VAL N N 15 126.5910 0.2 . 1 . . . A 14 VAL N . 25158 1 163 . 1 1 15 15 ASN H H 1 10.0710 0.02 . 1 . . . A 15 ASN H . 25158 1 164 . 1 1 15 15 ASN HA H 1 4.8150 0.02 . 1 . . . A 15 ASN HA . 25158 1 165 . 1 1 15 15 ASN HB2 H 1 3.4820 0.02 . 1 . . . A 15 ASN HB2 . 25158 1 166 . 1 1 15 15 ASN HB3 H 1 3.1560 0.02 . 1 . . . A 15 ASN HB3 . 25158 1 167 . 1 1 15 15 ASN HD21 H 1 7.9790 0.02 . 1 . . . A 15 ASN HD21 . 25158 1 168 . 1 1 15 15 ASN HD22 H 1 7.5310 0.02 . 1 . . . A 15 ASN HD22 . 25158 1 169 . 1 1 15 15 ASN C C 13 176.3400 0.3 . 1 . . . A 15 ASN C . 25158 1 170 . 1 1 15 15 ASN CA C 13 52.2750 0.3 . 1 . . . A 15 ASN CA . 25158 1 171 . 1 1 15 15 ASN CB C 13 39.2200 0.3 . 1 . . . A 15 ASN CB . 25158 1 172 . 1 1 15 15 ASN N N 15 126.2870 0.2 . 1 . . . A 15 ASN N . 25158 1 173 . 1 1 15 15 ASN ND2 N 15 113.4480 0.2 . 1 . . . A 15 ASN ND2 . 25158 1 174 . 1 1 16 16 SER H H 1 8.8250 0.02 . 1 . . . A 16 SER H . 25158 1 175 . 1 1 16 16 SER HA H 1 4.0470 0.02 . 1 . . . A 16 SER HA . 25158 1 176 . 1 1 16 16 SER HB2 H 1 4.0470 0.02 . 1 . . . A 16 SER HB2 . 25158 1 177 . 1 1 16 16 SER HB3 H 1 4.0470 0.02 . 1 . . . A 16 SER HB3 . 25158 1 178 . 1 1 16 16 SER C C 13 176.1970 0.3 . 1 . . . A 16 SER C . 25158 1 179 . 1 1 16 16 SER CA C 13 62.6810 0.3 . 1 . . . A 16 SER CA . 25158 1 180 . 1 1 16 16 SER CB C 13 62.6810 0.3 . 1 . . . A 16 SER CB . 25158 1 181 . 1 1 16 16 SER N N 15 113.1680 0.2 . 1 . . . A 16 SER N . 25158 1 182 . 1 1 17 17 THR H H 1 7.9460 0.02 . 1 . . . A 17 THR H . 25158 1 183 . 1 1 17 17 THR HA H 1 3.9830 0.02 . 1 . . . A 17 THR HA . 25158 1 184 . 1 1 17 17 THR HB H 1 4.3250 0.02 . 1 . . . A 17 THR HB . 25158 1 185 . 1 1 17 17 THR HG21 H 1 1.2200 0.02 . 1 . . . A 17 THR HG21 . 25158 1 186 . 1 1 17 17 THR HG22 H 1 1.2200 0.02 . 1 . . . A 17 THR HG22 . 25158 1 187 . 1 1 17 17 THR HG23 H 1 1.2200 0.02 . 1 . . . A 17 THR HG23 . 25158 1 188 . 1 1 17 17 THR C C 13 177.1490 0.3 . 1 . . . A 17 THR C . 25158 1 189 . 1 1 17 17 THR CA C 13 66.7910 0.3 . 1 . . . A 17 THR CA . 25158 1 190 . 1 1 17 17 THR CB C 13 67.7570 0.3 . 1 . . . A 17 THR CB . 25158 1 191 . 1 1 17 17 THR CG2 C 13 22.4240 0.3 . 1 . . . A 17 THR CG2 . 25158 1 192 . 1 1 17 17 THR N N 15 119.3910 0.2 . 1 . . . A 17 THR N . 25158 1 193 . 1 1 18 18 ASP H H 1 7.9950 0.02 . 1 . . . A 18 ASP H . 25158 1 194 . 1 1 18 18 ASP HA H 1 4.3700 0.02 . 1 . . . A 18 ASP HA . 25158 1 195 . 1 1 18 18 ASP HB2 H 1 3.3420 0.02 . 1 . . . A 18 ASP HB2 . 25158 1 196 . 1 1 18 18 ASP HB3 H 1 3.0830 0.02 . 1 . . . A 18 ASP HB3 . 25158 1 197 . 1 1 18 18 ASP C C 13 177.1680 0.3 . 1 . . . A 18 ASP C . 25158 1 198 . 1 1 18 18 ASP CA C 13 58.9140 0.3 . 1 . . . A 18 ASP CA . 25158 1 199 . 1 1 18 18 ASP CB C 13 42.1620 0.3 . 1 . . . A 18 ASP CB . 25158 1 200 . 1 1 18 18 ASP N N 15 120.3180 0.2 . 1 . . . A 18 ASP N . 25158 1 201 . 1 1 19 19 ALA H H 1 7.0850 0.02 . 1 . . . A 19 ALA H . 25158 1 202 . 1 1 19 19 ALA HA H 1 4.0480 0.02 . 1 . . . A 19 ALA HA . 25158 1 203 . 1 1 19 19 ALA HB1 H 1 1.4700 0.02 . 1 . . . A 19 ALA HB1 . 25158 1 204 . 1 1 19 19 ALA HB2 H 1 1.4700 0.02 . 1 . . . A 19 ALA HB2 . 25158 1 205 . 1 1 19 19 ALA HB3 H 1 1.4700 0.02 . 1 . . . A 19 ALA HB3 . 25158 1 206 . 1 1 19 19 ALA C C 13 179.5490 0.3 . 1 . . . A 19 ALA C . 25158 1 207 . 1 1 19 19 ALA CA C 13 55.4130 0.3 . 1 . . . A 19 ALA CA . 25158 1 208 . 1 1 19 19 ALA CB C 13 17.3130 0.3 . 1 . . . A 19 ALA CB . 25158 1 209 . 1 1 19 19 ALA N N 15 120.1910 0.2 . 1 . . . A 19 ALA N . 25158 1 210 . 1 1 20 20 VAL H H 1 7.8350 0.02 . 1 . . . A 20 VAL H . 25158 1 211 . 1 1 20 20 VAL HA H 1 3.6110 0.02 . 1 . . . A 20 VAL HA . 25158 1 212 . 1 1 20 20 VAL HB H 1 2.1900 0.02 . 1 . . . A 20 VAL HB . 25158 1 213 . 1 1 20 20 VAL HG11 H 1 1.1140 0.02 . 1 . . . A 20 VAL HG11 . 25158 1 214 . 1 1 20 20 VAL HG12 H 1 1.1140 0.02 . 1 . . . A 20 VAL HG12 . 25158 1 215 . 1 1 20 20 VAL HG13 H 1 1.1140 0.02 . 1 . . . A 20 VAL HG13 . 25158 1 216 . 1 1 20 20 VAL HG21 H 1 0.9640 0.02 . 1 . . . A 20 VAL HG21 . 25158 1 217 . 1 1 20 20 VAL HG22 H 1 0.9640 0.02 . 1 . . . A 20 VAL HG22 . 25158 1 218 . 1 1 20 20 VAL HG23 H 1 0.9640 0.02 . 1 . . . A 20 VAL HG23 . 25158 1 219 . 1 1 20 20 VAL C C 13 178.1530 0.3 . 1 . . . A 20 VAL C . 25158 1 220 . 1 1 20 20 VAL CA C 13 66.7670 0.3 . 1 . . . A 20 VAL CA . 25158 1 221 . 1 1 20 20 VAL CB C 13 31.8680 0.3 . 1 . . . A 20 VAL CB . 25158 1 222 . 1 1 20 20 VAL CG1 C 13 22.4940 0.3 . 2 . . . A 20 VAL CG1 . 25158 1 223 . 1 1 20 20 VAL CG2 C 13 21.0150 0.3 . 2 . . . A 20 VAL CG2 . 25158 1 224 . 1 1 20 20 VAL N N 15 120.6130 0.2 . 1 . . . A 20 VAL N . 25158 1 225 . 1 1 21 21 ALA H H 1 7.8040 0.02 . 1 . . . A 21 ALA H . 25158 1 226 . 1 1 21 21 ALA HA H 1 4.0620 0.02 . 1 . . . A 21 ALA HA . 25158 1 227 . 1 1 21 21 ALA HB1 H 1 1.4020 0.02 . 1 . . . A 21 ALA HB1 . 25158 1 228 . 1 1 21 21 ALA HB2 H 1 1.4020 0.02 . 1 . . . A 21 ALA HB2 . 25158 1 229 . 1 1 21 21 ALA HB3 H 1 1.4020 0.02 . 1 . . . A 21 ALA HB3 . 25158 1 230 . 1 1 21 21 ALA C C 13 179.2980 0.3 . 1 . . . A 21 ALA C . 25158 1 231 . 1 1 21 21 ALA CA C 13 55.2440 0.3 . 1 . . . A 21 ALA CA . 25158 1 232 . 1 1 21 21 ALA CB C 13 17.7890 0.3 . 1 . . . A 21 ALA CB . 25158 1 233 . 1 1 21 21 ALA N N 15 121.7670 0.2 . 1 . . . A 21 ALA N . 25158 1 234 . 1 1 22 22 LEU H H 1 8.6190 0.02 . 1 . . . A 22 LEU H . 25158 1 235 . 1 1 22 22 LEU HA H 1 4.1460 0.02 . 1 . . . A 22 LEU HA . 25158 1 236 . 1 1 22 22 LEU HB2 H 1 2.0140 0.02 . 1 . . . A 22 LEU HB2 . 25158 1 237 . 1 1 22 22 LEU HB3 H 1 1.5530 0.02 . 1 . . . A 22 LEU HB3 . 25158 1 238 . 1 1 22 22 LEU HG H 1 1.6100 0.02 . 1 . . . A 22 LEU HG . 25158 1 239 . 1 1 22 22 LEU HD11 H 1 0.8830 0.02 . 1 . . . A 22 LEU HD11 . 25158 1 240 . 1 1 22 22 LEU HD12 H 1 0.8830 0.02 . 1 . . . A 22 LEU HD12 . 25158 1 241 . 1 1 22 22 LEU HD13 H 1 0.8830 0.02 . 1 . . . A 22 LEU HD13 . 25158 1 242 . 1 1 22 22 LEU HD21 H 1 0.9430 0.02 . 1 . . . A 22 LEU HD21 . 25158 1 243 . 1 1 22 22 LEU HD22 H 1 0.9430 0.02 . 1 . . . A 22 LEU HD22 . 25158 1 244 . 1 1 22 22 LEU HD23 H 1 0.9430 0.02 . 1 . . . A 22 LEU HD23 . 25158 1 245 . 1 1 22 22 LEU C C 13 177.9140 0.3 . 1 . . . A 22 LEU C . 25158 1 246 . 1 1 22 22 LEU CA C 13 57.6930 0.3 . 1 . . . A 22 LEU CA . 25158 1 247 . 1 1 22 22 LEU CB C 13 41.5150 0.3 . 1 . . . A 22 LEU CB . 25158 1 248 . 1 1 22 22 LEU CG C 13 28.0390 0.3 . 1 . . . A 22 LEU CG . 25158 1 249 . 1 1 22 22 LEU CD1 C 13 26.1310 0.3 . 2 . . . A 22 LEU CD1 . 25158 1 250 . 1 1 22 22 LEU CD2 C 13 24.2460 0.3 . 2 . . . A 22 LEU CD2 . 25158 1 251 . 1 1 22 22 LEU N N 15 117.5550 0.2 . 1 . . . A 22 LEU N . 25158 1 252 . 1 1 23 23 LYS H H 1 8.2300 0.02 . 1 . . . A 23 LYS H . 25158 1 253 . 1 1 23 23 LYS HA H 1 3.9190 0.02 . 1 . . . A 23 LYS HA . 25158 1 254 . 1 1 23 23 LYS HB2 H 1 2.1700 0.02 . 1 . . . A 23 LYS HB2 . 25158 1 255 . 1 1 23 23 LYS HB3 H 1 1.9200 0.02 . 1 . . . A 23 LYS HB3 . 25158 1 256 . 1 1 23 23 LYS HG2 H 1 1.7350 0.02 . 1 . . . A 23 LYS HG2 . 25158 1 257 . 1 1 23 23 LYS HG3 H 1 1.3850 0.02 . 1 . . . A 23 LYS HG3 . 25158 1 258 . 1 1 23 23 LYS HD2 H 1 1.6830 0.02 . 1 . . . A 23 LYS HD2 . 25158 1 259 . 1 1 23 23 LYS HD3 H 1 1.7410 0.02 . 1 . . . A 23 LYS HD3 . 25158 1 260 . 1 1 23 23 LYS HE2 H 1 2.9490 0.02 . 1 . . . A 23 LYS HE2 . 25158 1 261 . 1 1 23 23 LYS HE3 H 1 2.9490 0.02 . 1 . . . A 23 LYS HE3 . 25158 1 262 . 1 1 23 23 LYS C C 13 177.7310 0.3 . 1 . . . A 23 LYS C . 25158 1 263 . 1 1 23 23 LYS CA C 13 60.3370 0.3 . 1 . . . A 23 LYS CA . 25158 1 264 . 1 1 23 23 LYS CB C 13 32.0980 0.3 . 1 . . . A 23 LYS CB . 25158 1 265 . 1 1 23 23 LYS CG C 13 25.6640 0.3 . 1 . . . A 23 LYS CG . 25158 1 266 . 1 1 23 23 LYS CD C 13 29.5380 0.3 . 1 . . . A 23 LYS CD . 25158 1 267 . 1 1 23 23 LYS CE C 13 41.9360 0.3 . 1 . . . A 23 LYS CE . 25158 1 268 . 1 1 23 23 LYS N N 15 120.3350 0.2 . 1 . . . A 23 LYS N . 25158 1 269 . 1 1 24 24 ARG H H 1 7.9270 0.02 . 1 . . . A 24 ARG H . 25158 1 270 . 1 1 24 24 ARG HA H 1 3.9590 0.02 . 1 . . . A 24 ARG HA . 25158 1 271 . 1 1 24 24 ARG HB2 H 1 1.9330 0.02 . 1 . . . A 24 ARG HB2 . 25158 1 272 . 1 1 24 24 ARG HB3 H 1 1.9970 0.02 . 1 . . . A 24 ARG HB3 . 25158 1 273 . 1 1 24 24 ARG HG2 H 1 1.9920 0.02 . 1 . . . A 24 ARG HG2 . 25158 1 274 . 1 1 24 24 ARG HG3 H 1 1.6560 0.02 . 1 . . . A 24 ARG HG3 . 25158 1 275 . 1 1 24 24 ARG HD2 H 1 3.1630 0.02 . 1 . . . A 24 ARG HD2 . 25158 1 276 . 1 1 24 24 ARG HD3 H 1 3.1630 0.02 . 1 . . . A 24 ARG HD3 . 25158 1 277 . 1 1 24 24 ARG HE H 1 7.0940 0.02 . 1 . . . A 24 ARG HE . 25158 1 278 . 1 1 24 24 ARG C C 13 178.6160 0.3 . 1 . . . A 24 ARG C . 25158 1 279 . 1 1 24 24 ARG CA C 13 59.9570 0.3 . 1 . . . A 24 ARG CA . 25158 1 280 . 1 1 24 24 ARG CB C 13 29.5630 0.3 . 1 . . . A 24 ARG CB . 25158 1 281 . 1 1 24 24 ARG CG C 13 28.0840 0.3 . 1 . . . A 24 ARG CG . 25158 1 282 . 1 1 24 24 ARG CD C 13 43.8000 0.3 . 1 . . . A 24 ARG CD . 25158 1 283 . 1 1 24 24 ARG N N 15 116.8310 0.2 . 1 . . . A 24 ARG N . 25158 1 284 . 1 1 24 24 ARG NE N 15 84.5560 0.2 . 1 . . . A 24 ARG NE . 25158 1 285 . 1 1 25 25 TYR H H 1 8.3210 0.02 . 1 . . . A 25 TYR H . 25158 1 286 . 1 1 25 25 TYR HA H 1 4.2100 0.02 . 1 . . . A 25 TYR HA . 25158 1 287 . 1 1 25 25 TYR HB2 H 1 3.2700 0.02 . 1 . . . A 25 TYR HB2 . 25158 1 288 . 1 1 25 25 TYR HB3 H 1 2.9270 0.02 . 1 . . . A 25 TYR HB3 . 25158 1 289 . 1 1 25 25 TYR HD1 H 1 6.9690 0.02 . 3 . . . A 25 TYR HD1 . 25158 1 290 . 1 1 25 25 TYR HD2 H 1 6.9690 0.02 . 3 . . . A 25 TYR HD2 . 25158 1 291 . 1 1 25 25 TYR HE1 H 1 6.8530 0.02 . 3 . . . A 25 TYR HE1 . 25158 1 292 . 1 1 25 25 TYR HE2 H 1 6.8530 0.02 . 3 . . . A 25 TYR HE2 . 25158 1 293 . 1 1 25 25 TYR C C 13 179.4650 0.3 . 1 . . . A 25 TYR C . 25158 1 294 . 1 1 25 25 TYR CA C 13 61.8450 0.3 . 1 . . . A 25 TYR CA . 25158 1 295 . 1 1 25 25 TYR CB C 13 39.0650 0.3 . 1 . . . A 25 TYR CB . 25158 1 296 . 1 1 25 25 TYR CD1 C 13 133.2740 0.3 . 3 . . . A 25 TYR CD1 . 25158 1 297 . 1 1 25 25 TYR CD2 C 13 133.2740 0.3 . 3 . . . A 25 TYR CD2 . 25158 1 298 . 1 1 25 25 TYR CE1 C 13 118.2180 0.3 . 3 . . . A 25 TYR CE1 . 25158 1 299 . 1 1 25 25 TYR CE2 C 13 118.2180 0.3 . 3 . . . A 25 TYR CE2 . 25158 1 300 . 1 1 25 25 TYR N N 15 120.9600 0.2 . 1 . . . A 25 TYR N . 25158 1 301 . 1 1 26 26 VAL H H 1 8.8030 0.02 . 1 . . . A 26 VAL H . 25158 1 302 . 1 1 26 26 VAL HA H 1 3.7740 0.02 . 1 . . . A 26 VAL HA . 25158 1 303 . 1 1 26 26 VAL HB H 1 2.3550 0.02 . 1 . . . A 26 VAL HB . 25158 1 304 . 1 1 26 26 VAL HG11 H 1 1.0130 0.02 . 1 . . . A 26 VAL HG11 . 25158 1 305 . 1 1 26 26 VAL HG12 H 1 1.0130 0.02 . 1 . . . A 26 VAL HG12 . 25158 1 306 . 1 1 26 26 VAL HG13 H 1 1.0130 0.02 . 1 . . . A 26 VAL HG13 . 25158 1 307 . 1 1 26 26 VAL HG21 H 1 1.0180 0.02 . 1 . . . A 26 VAL HG21 . 25158 1 308 . 1 1 26 26 VAL HG22 H 1 1.0180 0.02 . 1 . . . A 26 VAL HG22 . 25158 1 309 . 1 1 26 26 VAL HG23 H 1 1.0180 0.02 . 1 . . . A 26 VAL HG23 . 25158 1 310 . 1 1 26 26 VAL C C 13 177.8260 0.3 . 1 . . . A 26 VAL C . 25158 1 311 . 1 1 26 26 VAL CA C 13 65.4400 0.3 . 1 . . . A 26 VAL CA . 25158 1 312 . 1 1 26 26 VAL CB C 13 31.5570 0.3 . 1 . . . A 26 VAL CB . 25158 1 313 . 1 1 26 26 VAL CG1 C 13 21.7820 0.3 . 2 . . . A 26 VAL CG1 . 25158 1 314 . 1 1 26 26 VAL CG2 C 13 21.7820 0.3 . 2 . . . A 26 VAL CG2 . 25158 1 315 . 1 1 26 26 VAL N N 15 120.4050 0.2 . 1 . . . A 26 VAL N . 25158 1 316 . 1 1 27 27 LEU H H 1 7.8980 0.02 . 1 . . . A 27 LEU H . 25158 1 317 . 1 1 27 27 LEU HA H 1 4.2760 0.02 . 1 . . . A 27 LEU HA . 25158 1 318 . 1 1 27 27 LEU HB2 H 1 1.8020 0.02 . 1 . . . A 27 LEU HB2 . 25158 1 319 . 1 1 27 27 LEU HB3 H 1 1.6510 0.02 . 1 . . . A 27 LEU HB3 . 25158 1 320 . 1 1 27 27 LEU HD11 H 1 0.8650 0.02 . 1 . . . A 27 LEU HD11 . 25158 1 321 . 1 1 27 27 LEU HD12 H 1 0.8650 0.02 . 1 . . . A 27 LEU HD12 . 25158 1 322 . 1 1 27 27 LEU HD13 H 1 0.8650 0.02 . 1 . . . A 27 LEU HD13 . 25158 1 323 . 1 1 27 27 LEU HD21 H 1 0.8610 0.02 . 1 . . . A 27 LEU HD21 . 25158 1 324 . 1 1 27 27 LEU HD22 H 1 0.8610 0.02 . 1 . . . A 27 LEU HD22 . 25158 1 325 . 1 1 27 27 LEU HD23 H 1 0.8610 0.02 . 1 . . . A 27 LEU HD23 . 25158 1 326 . 1 1 27 27 LEU C C 13 176.7530 0.3 . 1 . . . A 27 LEU C . 25158 1 327 . 1 1 27 27 LEU CA C 13 55.6750 0.3 . 1 . . . A 27 LEU CA . 25158 1 328 . 1 1 27 27 LEU CB C 13 41.5930 0.3 . 1 . . . A 27 LEU CB . 25158 1 329 . 1 1 27 27 LEU CG C 13 25.6900 0.3 . 1 . . . A 27 LEU CG . 25158 1 330 . 1 1 27 27 LEU CD1 C 13 25.5300 0.3 . 2 . . . A 27 LEU CD1 . 25158 1 331 . 1 1 27 27 LEU CD2 C 13 22.4200 0.3 . 2 . . . A 27 LEU CD2 . 25158 1 332 . 1 1 27 27 LEU N N 15 119.2470 0.2 . 1 . . . A 27 LEU N . 25158 1 333 . 1 1 28 28 ARG H H 1 7.9930 0.02 . 1 . . . A 28 ARG H . 25158 1 334 . 1 1 28 28 ARG HA H 1 4.1140 0.02 . 1 . . . A 28 ARG HA . 25158 1 335 . 1 1 28 28 ARG HB2 H 1 2.0340 0.02 . 1 . . . A 28 ARG HB2 . 25158 1 336 . 1 1 28 28 ARG HB3 H 1 1.9090 0.02 . 1 . . . A 28 ARG HB3 . 25158 1 337 . 1 1 28 28 ARG HG2 H 1 1.5370 0.02 . 1 . . . A 28 ARG HG2 . 25158 1 338 . 1 1 28 28 ARG HG3 H 1 1.5370 0.02 . 1 . . . A 28 ARG HG3 . 25158 1 339 . 1 1 28 28 ARG HD2 H 1 3.1670 0.02 . 1 . . . A 28 ARG HD2 . 25158 1 340 . 1 1 28 28 ARG HD3 H 1 3.1670 0.02 . 1 . . . A 28 ARG HD3 . 25158 1 341 . 1 1 28 28 ARG HE H 1 7.1410 0.02 . 1 . . . A 28 ARG HE . 25158 1 342 . 1 1 28 28 ARG C C 13 176.5210 0.3 . 1 . . . A 28 ARG C . 25158 1 343 . 1 1 28 28 ARG CA C 13 56.1540 0.3 . 1 . . . A 28 ARG CA . 25158 1 344 . 1 1 28 28 ARG CB C 13 27.4710 0.3 . 1 . . . A 28 ARG CB . 25158 1 345 . 1 1 28 28 ARG CG C 13 26.9270 0.3 . 1 . . . A 28 ARG CG . 25158 1 346 . 1 1 28 28 ARG CD C 13 43.3170 0.3 . 1 . . . A 28 ARG CD . 25158 1 347 . 1 1 28 28 ARG N N 15 116.0820 0.2 . 1 . . . A 28 ARG N . 25158 1 348 . 1 1 28 28 ARG NE N 15 85.0560 0.2 . 1 . . . A 28 ARG NE . 25158 1 349 . 1 1 29 29 SER H H 1 8.0940 0.02 . 1 . . . A 29 SER H . 25158 1 350 . 1 1 29 29 SER HA H 1 4.3050 0.02 . 1 . . . A 29 SER HA . 25158 1 351 . 1 1 29 29 SER HB2 H 1 3.8960 0.02 . 1 . . . A 29 SER HB2 . 25158 1 352 . 1 1 29 29 SER HB3 H 1 3.8960 0.02 . 1 . . . A 29 SER HB3 . 25158 1 353 . 1 1 29 29 SER C C 13 175.3680 0.3 . 1 . . . A 29 SER C . 25158 1 354 . 1 1 29 29 SER CA C 13 59.6990 0.3 . 1 . . . A 29 SER CA . 25158 1 355 . 1 1 29 29 SER CB C 13 63.9080 0.3 . 1 . . . A 29 SER CB . 25158 1 356 . 1 1 29 29 SER N N 15 113.5790 0.2 . 1 . . . A 29 SER N . 25158 1 357 . 1 1 30 30 GLY H H 1 8.5770 0.02 . 1 . . . A 30 GLY H . 25158 1 358 . 1 1 30 30 GLY HA2 H 1 4.2040 0.02 . 1 . . . A 30 GLY HA2 . 25158 1 359 . 1 1 30 30 GLY HA3 H 1 3.7480 0.02 . 1 . . . A 30 GLY HA3 . 25158 1 360 . 1 1 30 30 GLY C C 13 174.1150 0.3 . 1 . . . A 30 GLY C . 25158 1 361 . 1 1 30 30 GLY CA C 13 45.7710 0.3 . 1 . . . A 30 GLY CA . 25158 1 362 . 1 1 30 30 GLY N N 15 109.9200 0.2 . 1 . . . A 30 GLY N . 25158 1 363 . 1 1 31 31 ILE H H 1 7.3870 0.02 . 1 . . . A 31 ILE H . 25158 1 364 . 1 1 31 31 ILE HA H 1 4.3580 0.02 . 1 . . . A 31 ILE HA . 25158 1 365 . 1 1 31 31 ILE HB H 1 1.8780 0.02 . 1 . . . A 31 ILE HB . 25158 1 366 . 1 1 31 31 ILE HG12 H 1 1.1400 0.02 . 1 . . . A 31 ILE HG12 . 25158 1 367 . 1 1 31 31 ILE HG13 H 1 1.4760 0.02 . 1 . . . A 31 ILE HG13 . 25158 1 368 . 1 1 31 31 ILE HG21 H 1 0.9250 0.02 . 1 . . . A 31 ILE HG21 . 25158 1 369 . 1 1 31 31 ILE HG22 H 1 0.9250 0.02 . 1 . . . A 31 ILE HG22 . 25158 1 370 . 1 1 31 31 ILE HG23 H 1 0.9250 0.02 . 1 . . . A 31 ILE HG23 . 25158 1 371 . 1 1 31 31 ILE HD11 H 1 0.9180 0.02 . 1 . . . A 31 ILE HD11 . 25158 1 372 . 1 1 31 31 ILE HD12 H 1 0.9180 0.02 . 1 . . . A 31 ILE HD12 . 25158 1 373 . 1 1 31 31 ILE HD13 H 1 0.9180 0.02 . 1 . . . A 31 ILE HD13 . 25158 1 374 . 1 1 31 31 ILE C C 13 174.3920 0.3 . 1 . . . A 31 ILE C . 25158 1 375 . 1 1 31 31 ILE CA C 13 60.2460 0.3 . 1 . . . A 31 ILE CA . 25158 1 376 . 1 1 31 31 ILE CB C 13 39.5790 0.3 . 1 . . . A 31 ILE CB . 25158 1 377 . 1 1 31 31 ILE CG1 C 13 27.6090 0.3 . 1 . . . A 31 ILE CG1 . 25158 1 378 . 1 1 31 31 ILE CG2 C 13 16.5880 0.3 . 1 . . . A 31 ILE CG2 . 25158 1 379 . 1 1 31 31 ILE CD1 C 13 13.9280 0.3 . 1 . . . A 31 ILE CD1 . 25158 1 380 . 1 1 31 31 ILE N N 15 119.0840 0.2 . 1 . . . A 31 ILE N . 25158 1 381 . 1 1 32 32 SER H H 1 8.3390 0.02 . 1 . . . A 32 SER H . 25158 1 382 . 1 1 32 32 SER HA H 1 4.8450 0.02 . 1 . . . A 32 SER HA . 25158 1 383 . 1 1 32 32 SER HB2 H 1 3.8600 0.02 . 1 . . . A 32 SER HB2 . 25158 1 384 . 1 1 32 32 SER HB3 H 1 3.7980 0.02 . 1 . . . A 32 SER HB3 . 25158 1 385 . 1 1 32 32 SER C C 13 173.8910 0.3 . 1 . . . A 32 SER C . 25158 1 386 . 1 1 32 32 SER CA C 13 57.6030 0.3 . 1 . . . A 32 SER CA . 25158 1 387 . 1 1 32 32 SER CB C 13 63.8490 0.3 . 1 . . . A 32 SER CB . 25158 1 388 . 1 1 32 32 SER N N 15 120.5820 0.2 . 1 . . . A 32 SER N . 25158 1 389 . 1 1 33 33 ILE H H 1 7.8730 0.02 . 1 . . . A 33 ILE H . 25158 1 390 . 1 1 33 33 ILE HA H 1 4.6330 0.02 . 1 . . . A 33 ILE HA . 25158 1 391 . 1 1 33 33 ILE HB H 1 1.6730 0.02 . 1 . . . A 33 ILE HB . 25158 1 392 . 1 1 33 33 ILE HG12 H 1 0.1870 0.02 . 1 . . . A 33 ILE HG12 . 25158 1 393 . 1 1 33 33 ILE HG13 H 1 0.5520 0.02 . 1 . . . A 33 ILE HG13 . 25158 1 394 . 1 1 33 33 ILE HG21 H 1 0.5920 0.02 . 1 . . . A 33 ILE HG21 . 25158 1 395 . 1 1 33 33 ILE HG22 H 1 0.5920 0.02 . 1 . . . A 33 ILE HG22 . 25158 1 396 . 1 1 33 33 ILE HG23 H 1 0.5920 0.02 . 1 . . . A 33 ILE HG23 . 25158 1 397 . 1 1 33 33 ILE HD11 H 1 0.0060 0.02 . 1 . . . A 33 ILE HD11 . 25158 1 398 . 1 1 33 33 ILE HD12 H 1 0.0060 0.02 . 1 . . . A 33 ILE HD12 . 25158 1 399 . 1 1 33 33 ILE HD13 H 1 0.0060 0.02 . 1 . . . A 33 ILE HD13 . 25158 1 400 . 1 1 33 33 ILE C C 13 174.1950 0.3 . 1 . . . A 33 ILE C . 25158 1 401 . 1 1 33 33 ILE CA C 13 59.1120 0.3 . 1 . . . A 33 ILE CA . 25158 1 402 . 1 1 33 33 ILE CB C 13 42.5820 0.3 . 1 . . . A 33 ILE CB . 25158 1 403 . 1 1 33 33 ILE CG1 C 13 24.7440 0.3 . 1 . . . A 33 ILE CG1 . 25158 1 404 . 1 1 33 33 ILE CG2 C 13 18.2130 0.3 . 1 . . . A 33 ILE CG2 . 25158 1 405 . 1 1 33 33 ILE CD1 C 13 14.7920 0.3 . 1 . . . A 33 ILE CD1 . 25158 1 406 . 1 1 33 33 ILE N N 15 116.6290 0.2 . 1 . . . A 33 ILE N . 25158 1 407 . 1 1 34 34 ASN H H 1 8.8390 0.02 . 1 . . . A 34 ASN H . 25158 1 408 . 1 1 34 34 ASN HA H 1 4.7360 0.02 . 1 . . . A 34 ASN HA . 25158 1 409 . 1 1 34 34 ASN HB2 H 1 2.8790 0.02 . 1 . . . A 34 ASN HB2 . 25158 1 410 . 1 1 34 34 ASN HB3 H 1 2.7450 0.02 . 1 . . . A 34 ASN HB3 . 25158 1 411 . 1 1 34 34 ASN HD21 H 1 8.9170 0.02 . 1 . . . A 34 ASN HD21 . 25158 1 412 . 1 1 34 34 ASN HD22 H 1 6.7340 0.02 . 1 . . . A 34 ASN HD22 . 25158 1 413 . 1 1 34 34 ASN C C 13 176.2170 0.3 . 1 . . . A 34 ASN C . 25158 1 414 . 1 1 34 34 ASN CA C 13 52.1860 0.3 . 1 . . . A 34 ASN CA . 25158 1 415 . 1 1 34 34 ASN CB C 13 36.4990 0.3 . 1 . . . A 34 ASN CB . 25158 1 416 . 1 1 34 34 ASN N N 15 118.3420 0.2 . 1 . . . A 34 ASN N . 25158 1 417 . 1 1 34 34 ASN ND2 N 15 115.4100 0.2 . 1 . . . A 34 ASN ND2 . 25158 1 418 . 1 1 35 35 THR H H 1 7.9390 0.02 . 1 . . . A 35 THR H . 25158 1 419 . 1 1 35 35 THR HA H 1 3.5590 0.02 . 1 . . . A 35 THR HA . 25158 1 420 . 1 1 35 35 THR HB H 1 4.2050 0.02 . 1 . . . A 35 THR HB . 25158 1 421 . 1 1 35 35 THR HG21 H 1 1.0200 0.02 . 1 . . . A 35 THR HG21 . 25158 1 422 . 1 1 35 35 THR HG22 H 1 1.0200 0.02 . 1 . . . A 35 THR HG22 . 25158 1 423 . 1 1 35 35 THR HG23 H 1 1.0200 0.02 . 1 . . . A 35 THR HG23 . 25158 1 424 . 1 1 35 35 THR C C 13 177.3470 0.3 . 1 . . . A 35 THR C . 25158 1 425 . 1 1 35 35 THR CA C 13 64.6860 0.3 . 1 . . . A 35 THR CA . 25158 1 426 . 1 1 35 35 THR CB C 13 67.7580 0.3 . 1 . . . A 35 THR CB . 25158 1 427 . 1 1 35 35 THR CG2 C 13 22.1620 0.3 . 1 . . . A 35 THR CG2 . 25158 1 428 . 1 1 35 35 THR N N 15 116.1200 0.2 . 1 . . . A 35 THR N . 25158 1 429 . 1 1 36 36 ASP H H 1 7.9800 0.02 . 1 . . . A 36 ASP H . 25158 1 430 . 1 1 36 36 ASP HA H 1 4.4200 0.02 . 1 . . . A 36 ASP HA . 25158 1 431 . 1 1 36 36 ASP HB2 H 1 2.8020 0.02 . 1 . . . A 36 ASP HB2 . 25158 1 432 . 1 1 36 36 ASP HB3 H 1 2.4350 0.02 . 1 . . . A 36 ASP HB3 . 25158 1 433 . 1 1 36 36 ASP C C 13 177.7520 0.3 . 1 . . . A 36 ASP C . 25158 1 434 . 1 1 36 36 ASP CA C 13 57.0740 0.3 . 1 . . . A 36 ASP CA . 25158 1 435 . 1 1 36 36 ASP CB C 13 39.8980 0.3 . 1 . . . A 36 ASP CB . 25158 1 436 . 1 1 36 36 ASP N N 15 123.5280 0.2 . 1 . . . A 36 ASP N . 25158 1 437 . 1 1 37 37 ASN H H 1 7.2510 0.02 . 1 . . . A 37 ASN H . 25158 1 438 . 1 1 37 37 ASN HA H 1 4.2660 0.02 . 1 . . . A 37 ASN HA . 25158 1 439 . 1 1 37 37 ASN HB2 H 1 2.7110 0.02 . 1 . . . A 37 ASN HB2 . 25158 1 440 . 1 1 37 37 ASN HB3 H 1 2.1690 0.02 . 1 . . . A 37 ASN HB3 . 25158 1 441 . 1 1 37 37 ASN HD21 H 1 6.6940 0.02 . 1 . . . A 37 ASN HD21 . 25158 1 442 . 1 1 37 37 ASN HD22 H 1 7.6810 0.02 . 1 . . . A 37 ASN HD22 . 25158 1 443 . 1 1 37 37 ASN C C 13 175.5890 0.3 . 1 . . . A 37 ASN C . 25158 1 444 . 1 1 37 37 ASN CA C 13 52.5600 0.3 . 1 . . . A 37 ASN CA . 25158 1 445 . 1 1 37 37 ASN CB C 13 37.9630 0.3 . 1 . . . A 37 ASN CB . 25158 1 446 . 1 1 37 37 ASN N N 15 115.6900 0.2 . 1 . . . A 37 ASN N . 25158 1 447 . 1 1 37 37 ASN ND2 N 15 110.0830 0.2 . 1 . . . A 37 ASN ND2 . 25158 1 448 . 1 1 38 38 ALA H H 1 7.1420 0.02 . 1 . . . A 38 ALA H . 25158 1 449 . 1 1 38 38 ALA HA H 1 4.0800 0.02 . 1 . . . A 38 ALA HA . 25158 1 450 . 1 1 38 38 ALA HB1 H 1 1.2810 0.02 . 1 . . . A 38 ALA HB1 . 25158 1 451 . 1 1 38 38 ALA HB2 H 1 1.2810 0.02 . 1 . . . A 38 ALA HB2 . 25158 1 452 . 1 1 38 38 ALA HB3 H 1 1.2810 0.02 . 1 . . . A 38 ALA HB3 . 25158 1 453 . 1 1 38 38 ALA C C 13 173.6380 0.3 . 1 . . . A 38 ALA C . 25158 1 454 . 1 1 38 38 ALA CA C 13 52.2200 0.3 . 1 . . . A 38 ALA CA . 25158 1 455 . 1 1 38 38 ALA CB C 13 22.8710 0.3 . 1 . . . A 38 ALA CB . 25158 1 456 . 1 1 38 38 ALA N N 15 119.5600 0.2 . 1 . . . A 38 ALA N . 25158 1 457 . 1 1 39 39 ASP H H 1 7.0960 0.02 . 1 . . . A 39 ASP H . 25158 1 458 . 1 1 39 39 ASP HA H 1 4.9400 0.02 . 1 . . . A 39 ASP HA . 25158 1 459 . 1 1 39 39 ASP HB2 H 1 3.0410 0.02 . 1 . . . A 39 ASP HB2 . 25158 1 460 . 1 1 39 39 ASP HB3 H 1 2.3440 0.02 . 1 . . . A 39 ASP HB3 . 25158 1 461 . 1 1 39 39 ASP C C 13 177.1630 0.3 . 1 . . . A 39 ASP C . 25158 1 462 . 1 1 39 39 ASP CA C 13 52.1710 0.3 . 1 . . . A 39 ASP CA . 25158 1 463 . 1 1 39 39 ASP CB C 13 38.9460 0.3 . 1 . . . A 39 ASP CB . 25158 1 464 . 1 1 39 39 ASP N N 15 115.0030 0.2 . 1 . . . A 39 ASP N . 25158 1 465 . 1 1 40 40 LEU H H 1 8.5720 0.02 . 1 . . . A 40 LEU H . 25158 1 466 . 1 1 40 40 LEU HA H 1 4.0710 0.02 . 1 . . . A 40 LEU HA . 25158 1 467 . 1 1 40 40 LEU HB2 H 1 1.6960 0.02 . 1 . . . A 40 LEU HB2 . 25158 1 468 . 1 1 40 40 LEU HB3 H 1 1.6960 0.02 . 1 . . . A 40 LEU HB3 . 25158 1 469 . 1 1 40 40 LEU HG H 1 1.7460 0.02 . 1 . . . A 40 LEU HG . 25158 1 470 . 1 1 40 40 LEU HD11 H 1 1.0110 0.02 . 1 . . . A 40 LEU HD11 . 25158 1 471 . 1 1 40 40 LEU HD12 H 1 1.0110 0.02 . 1 . . . A 40 LEU HD12 . 25158 1 472 . 1 1 40 40 LEU HD13 H 1 1.0110 0.02 . 1 . . . A 40 LEU HD13 . 25158 1 473 . 1 1 40 40 LEU HD21 H 1 0.8270 0.02 . 1 . . . A 40 LEU HD21 . 25158 1 474 . 1 1 40 40 LEU HD22 H 1 0.8270 0.02 . 1 . . . A 40 LEU HD22 . 25158 1 475 . 1 1 40 40 LEU HD23 H 1 0.8270 0.02 . 1 . . . A 40 LEU HD23 . 25158 1 476 . 1 1 40 40 LEU C C 13 175.8650 0.3 . 1 . . . A 40 LEU C . 25158 1 477 . 1 1 40 40 LEU CA C 13 56.5930 0.3 . 1 . . . A 40 LEU CA . 25158 1 478 . 1 1 40 40 LEU CB C 13 41.9290 0.3 . 1 . . . A 40 LEU CB . 25158 1 479 . 1 1 40 40 LEU CG C 13 27.1000 0.3 . 1 . . . A 40 LEU CG . 25158 1 480 . 1 1 40 40 LEU CD1 C 13 27.0000 0.3 . 2 . . . A 40 LEU CD1 . 25158 1 481 . 1 1 40 40 LEU CD2 C 13 25.0360 0.3 . 2 . . . A 40 LEU CD2 . 25158 1 482 . 1 1 40 40 LEU N N 15 123.2450 0.2 . 1 . . . A 40 LEU N . 25158 1 483 . 1 1 41 41 ASN H H 1 8.0040 0.02 . 1 . . . A 41 ASN H . 25158 1 484 . 1 1 41 41 ASN HA H 1 4.9990 0.02 . 1 . . . A 41 ASN HA . 25158 1 485 . 1 1 41 41 ASN HB2 H 1 3.3670 0.02 . 1 . . . A 41 ASN HB2 . 25158 1 486 . 1 1 41 41 ASN HB3 H 1 2.6580 0.02 . 1 . . . A 41 ASN HB3 . 25158 1 487 . 1 1 41 41 ASN HD21 H 1 6.6290 0.02 . 1 . . . A 41 ASN HD21 . 25158 1 488 . 1 1 41 41 ASN HD22 H 1 8.4790 0.02 . 1 . . . A 41 ASN HD22 . 25158 1 489 . 1 1 41 41 ASN C C 13 173.8460 0.3 . 1 . . . A 41 ASN C . 25158 1 490 . 1 1 41 41 ASN CA C 13 51.2330 0.3 . 1 . . . A 41 ASN CA . 25158 1 491 . 1 1 41 41 ASN CB C 13 37.3950 0.3 . 1 . . . A 41 ASN CB . 25158 1 492 . 1 1 41 41 ASN N N 15 112.7230 0.2 . 1 . . . A 41 ASN N . 25158 1 493 . 1 1 41 41 ASN ND2 N 15 113.2980 0.2 . 1 . . . A 41 ASN ND2 . 25158 1 494 . 1 1 42 42 GLU H H 1 7.6420 0.02 . 1 . . . A 42 GLU H . 25158 1 495 . 1 1 42 42 GLU HA H 1 3.9520 0.02 . 1 . . . A 42 GLU HA . 25158 1 496 . 1 1 42 42 GLU HB2 H 1 1.7820 0.02 . 1 . . . A 42 GLU HB2 . 25158 1 497 . 1 1 42 42 GLU HB3 H 1 2.2570 0.02 . 1 . . . A 42 GLU HB3 . 25158 1 498 . 1 1 42 42 GLU HG2 H 1 2.2400 0.02 . 1 . . . A 42 GLU HG2 . 25158 1 499 . 1 1 42 42 GLU HG3 H 1 2.0700 0.02 . 1 . . . A 42 GLU HG3 . 25158 1 500 . 1 1 42 42 GLU C C 13 175.1720 0.3 . 1 . . . A 42 GLU C . 25158 1 501 . 1 1 42 42 GLU CA C 13 57.3510 0.3 . 1 . . . A 42 GLU CA . 25158 1 502 . 1 1 42 42 GLU CB C 13 28.2210 0.3 . 1 . . . A 42 GLU CB . 25158 1 503 . 1 1 42 42 GLU CG C 13 36.3710 0.3 . 1 . . . A 42 GLU CG . 25158 1 504 . 1 1 42 42 GLU N N 15 115.7980 0.2 . 1 . . . A 42 GLU N . 25158 1 505 . 1 1 43 43 ASP H H 1 8.4730 0.02 . 1 . . . A 43 ASP H . 25158 1 506 . 1 1 43 43 ASP HA H 1 4.8390 0.02 . 1 . . . A 43 ASP HA . 25158 1 507 . 1 1 43 43 ASP HB2 H 1 3.1140 0.02 . 1 . . . A 43 ASP HB2 . 25158 1 508 . 1 1 43 43 ASP HB3 H 1 2.3690 0.02 . 1 . . . A 43 ASP HB3 . 25158 1 509 . 1 1 43 43 ASP C C 13 178.1290 0.3 . 1 . . . A 43 ASP C . 25158 1 510 . 1 1 43 43 ASP CA C 13 52.6380 0.3 . 1 . . . A 43 ASP CA . 25158 1 511 . 1 1 43 43 ASP CB C 13 41.2140 0.3 . 1 . . . A 43 ASP CB . 25158 1 512 . 1 1 43 43 ASP N N 15 117.4530 0.2 . 1 . . . A 43 ASP N . 25158 1 513 . 1 1 44 44 GLY H H 1 10.1390 0.02 . 1 . . . A 44 GLY H . 25158 1 514 . 1 1 44 44 GLY HA2 H 1 4.1990 0.02 . 1 . . . A 44 GLY HA2 . 25158 1 515 . 1 1 44 44 GLY HA3 H 1 3.5950 0.02 . 1 . . . A 44 GLY HA3 . 25158 1 516 . 1 1 44 44 GLY C C 13 173.7170 0.3 . 1 . . . A 44 GLY C . 25158 1 517 . 1 1 44 44 GLY CA C 13 45.3170 0.3 . 1 . . . A 44 GLY CA . 25158 1 518 . 1 1 44 44 GLY N N 15 112.4900 0.2 . 1 . . . A 44 GLY N . 25158 1 519 . 1 1 45 45 ARG H H 1 7.9940 0.02 . 1 . . . A 45 ARG H . 25158 1 520 . 1 1 45 45 ARG HA H 1 4.7880 0.02 . 1 . . . A 45 ARG HA . 25158 1 521 . 1 1 45 45 ARG HB2 H 1 1.7270 0.02 . 1 . . . A 45 ARG HB2 . 25158 1 522 . 1 1 45 45 ARG HB3 H 1 1.7270 0.02 . 1 . . . A 45 ARG HB3 . 25158 1 523 . 1 1 45 45 ARG HG2 H 1 1.5620 0.02 . 1 . . . A 45 ARG HG2 . 25158 1 524 . 1 1 45 45 ARG HG3 H 1 1.4450 0.02 . 1 . . . A 45 ARG HG3 . 25158 1 525 . 1 1 45 45 ARG HD2 H 1 3.0920 0.02 . 1 . . . A 45 ARG HD2 . 25158 1 526 . 1 1 45 45 ARG HD3 H 1 3.1390 0.02 . 1 . . . A 45 ARG HD3 . 25158 1 527 . 1 1 45 45 ARG HE H 1 6.9830 0.02 . 1 . . . A 45 ARG HE . 25158 1 528 . 1 1 45 45 ARG C C 13 175.6020 0.3 . 1 . . . A 45 ARG C . 25158 1 529 . 1 1 45 45 ARG CA C 13 53.8320 0.3 . 1 . . . A 45 ARG CA . 25158 1 530 . 1 1 45 45 ARG CB C 13 33.6640 0.3 . 1 . . . A 45 ARG CB . 25158 1 531 . 1 1 45 45 ARG CG C 13 26.6630 0.3 . 1 . . . A 45 ARG CG . 25158 1 532 . 1 1 45 45 ARG CD C 13 43.3980 0.3 . 1 . . . A 45 ARG CD . 25158 1 533 . 1 1 45 45 ARG N N 15 118.1540 0.2 . 1 . . . A 45 ARG N . 25158 1 534 . 1 1 45 45 ARG NE N 15 84.9200 0.2 . 1 . . . A 45 ARG NE . 25158 1 535 . 1 1 46 46 VAL H H 1 9.1150 0.02 . 1 . . . A 46 VAL H . 25158 1 536 . 1 1 46 46 VAL HA H 1 4.7900 0.02 . 1 . . . A 46 VAL HA . 25158 1 537 . 1 1 46 46 VAL HB H 1 2.1690 0.02 . 1 . . . A 46 VAL HB . 25158 1 538 . 1 1 46 46 VAL HG11 H 1 0.7850 0.02 . 1 . . . A 46 VAL HG11 . 25158 1 539 . 1 1 46 46 VAL HG12 H 1 0.7850 0.02 . 1 . . . A 46 VAL HG12 . 25158 1 540 . 1 1 46 46 VAL HG13 H 1 0.7850 0.02 . 1 . . . A 46 VAL HG13 . 25158 1 541 . 1 1 46 46 VAL HG21 H 1 0.7780 0.02 . 1 . . . A 46 VAL HG21 . 25158 1 542 . 1 1 46 46 VAL HG22 H 1 0.7780 0.02 . 1 . . . A 46 VAL HG22 . 25158 1 543 . 1 1 46 46 VAL HG23 H 1 0.7780 0.02 . 1 . . . A 46 VAL HG23 . 25158 1 544 . 1 1 46 46 VAL C C 13 174.6440 0.3 . 1 . . . A 46 VAL C . 25158 1 545 . 1 1 46 46 VAL CA C 13 61.7290 0.3 . 1 . . . A 46 VAL CA . 25158 1 546 . 1 1 46 46 VAL CB C 13 31.6660 0.3 . 1 . . . A 46 VAL CB . 25158 1 547 . 1 1 46 46 VAL CG1 C 13 22.2900 0.3 . 2 . . . A 46 VAL CG1 . 25158 1 548 . 1 1 46 46 VAL CG2 C 13 21.2500 0.3 . 2 . . . A 46 VAL CG2 . 25158 1 549 . 1 1 46 46 VAL N N 15 126.3920 0.2 . 1 . . . A 46 VAL N . 25158 1 550 . 1 1 47 47 ASN H H 1 10.0770 0.02 . 1 . . . A 47 ASN H . 25158 1 551 . 1 1 47 47 ASN HA H 1 4.8750 0.02 . 1 . . . A 47 ASN HA . 25158 1 552 . 1 1 47 47 ASN HB2 H 1 3.6370 0.02 . 1 . . . A 47 ASN HB2 . 25158 1 553 . 1 1 47 47 ASN HB3 H 1 3.1440 0.02 . 1 . . . A 47 ASN HB3 . 25158 1 554 . 1 1 47 47 ASN HD21 H 1 7.8990 0.02 . 1 . . . A 47 ASN HD21 . 25158 1 555 . 1 1 47 47 ASN HD22 H 1 7.5060 0.02 . 1 . . . A 47 ASN HD22 . 25158 1 556 . 1 1 47 47 ASN C C 13 176.4670 0.3 . 1 . . . A 47 ASN C . 25158 1 557 . 1 1 47 47 ASN CA C 13 52.0400 0.3 . 1 . . . A 47 ASN CA . 25158 1 558 . 1 1 47 47 ASN CB C 13 39.1870 0.3 . 1 . . . A 47 ASN CB . 25158 1 559 . 1 1 47 47 ASN N N 15 126.7370 0.2 . 1 . . . A 47 ASN N . 25158 1 560 . 1 1 47 47 ASN ND2 N 15 113.9180 0.2 . 1 . . . A 47 ASN ND2 . 25158 1 561 . 1 1 48 48 SER H H 1 8.9360 0.02 . 1 . . . A 48 SER H . 25158 1 562 . 1 1 48 48 SER HA H 1 4.0860 0.02 . 1 . . . A 48 SER HA . 25158 1 563 . 1 1 48 48 SER HB2 H 1 4.0860 0.02 . 1 . . . A 48 SER HB2 . 25158 1 564 . 1 1 48 48 SER HB3 H 1 4.0860 0.02 . 1 . . . A 48 SER HB3 . 25158 1 565 . 1 1 48 48 SER C C 13 176.6710 0.3 . 1 . . . A 48 SER C . 25158 1 566 . 1 1 48 48 SER CA C 13 62.3750 0.3 . 1 . . . A 48 SER CA . 25158 1 567 . 1 1 48 48 SER CB C 13 62.3750 0.3 . 1 . . . A 48 SER CB . 25158 1 568 . 1 1 48 48 SER N N 15 113.4090 0.2 . 1 . . . A 48 SER N . 25158 1 569 . 1 1 49 49 THR H H 1 8.1240 0.02 . 1 . . . A 49 THR H . 25158 1 570 . 1 1 49 49 THR HA H 1 4.1120 0.02 . 1 . . . A 49 THR HA . 25158 1 571 . 1 1 49 49 THR HB H 1 4.3200 0.02 . 1 . . . A 49 THR HB . 25158 1 572 . 1 1 49 49 THR HG21 H 1 1.2220 0.02 . 1 . . . A 49 THR HG21 . 25158 1 573 . 1 1 49 49 THR HG22 H 1 1.2220 0.02 . 1 . . . A 49 THR HG22 . 25158 1 574 . 1 1 49 49 THR HG23 H 1 1.2220 0.02 . 1 . . . A 49 THR HG23 . 25158 1 575 . 1 1 49 49 THR C C 13 177.3200 0.3 . 1 . . . A 49 THR C . 25158 1 576 . 1 1 49 49 THR CA C 13 66.7130 0.3 . 1 . . . A 49 THR CA . 25158 1 577 . 1 1 49 49 THR CB C 13 67.7870 0.3 . 1 . . . A 49 THR CB . 25158 1 578 . 1 1 49 49 THR CG2 C 13 22.2830 0.3 . 1 . . . A 49 THR CG2 . 25158 1 579 . 1 1 49 49 THR N N 15 121.8850 0.2 . 1 . . . A 49 THR N . 25158 1 580 . 1 1 50 50 ASP H H 1 7.5600 0.02 . 1 . . . A 50 ASP H . 25158 1 581 . 1 1 50 50 ASP HA H 1 4.3700 0.02 . 1 . . . A 50 ASP HA . 25158 1 582 . 1 1 50 50 ASP HB2 H 1 3.2390 0.02 . 1 . . . A 50 ASP HB2 . 25158 1 583 . 1 1 50 50 ASP HB3 H 1 3.1510 0.02 . 1 . . . A 50 ASP HB3 . 25158 1 584 . 1 1 50 50 ASP C C 13 177.0330 0.3 . 1 . . . A 50 ASP C . 25158 1 585 . 1 1 50 50 ASP CA C 13 58.8200 0.3 . 1 . . . A 50 ASP CA . 25158 1 586 . 1 1 50 50 ASP CB C 13 41.7080 0.3 . 1 . . . A 50 ASP CB . 25158 1 587 . 1 1 50 50 ASP N N 15 120.4010 0.2 . 1 . . . A 50 ASP N . 25158 1 588 . 1 1 51 51 LEU H H 1 7.1340 0.02 . 1 . . . A 51 LEU H . 25158 1 589 . 1 1 51 51 LEU HA H 1 4.1880 0.02 . 1 . . . A 51 LEU HA . 25158 1 590 . 1 1 51 51 LEU HB2 H 1 2.2770 0.02 . 1 . . . A 51 LEU HB2 . 25158 1 591 . 1 1 51 51 LEU HB3 H 1 1.2160 0.02 . 1 . . . A 51 LEU HB3 . 25158 1 592 . 1 1 51 51 LEU HG H 1 1.6850 0.02 . 1 . . . A 51 LEU HG . 25158 1 593 . 1 1 51 51 LEU HD11 H 1 0.9720 0.02 . 1 . . . A 51 LEU HD11 . 25158 1 594 . 1 1 51 51 LEU HD12 H 1 0.9720 0.02 . 1 . . . A 51 LEU HD12 . 25158 1 595 . 1 1 51 51 LEU HD13 H 1 0.9720 0.02 . 1 . . . A 51 LEU HD13 . 25158 1 596 . 1 1 51 51 LEU HD21 H 1 1.0900 0.02 . 1 . . . A 51 LEU HD21 . 25158 1 597 . 1 1 51 51 LEU HD22 H 1 1.0900 0.02 . 1 . . . A 51 LEU HD22 . 25158 1 598 . 1 1 51 51 LEU HD23 H 1 1.0900 0.02 . 1 . . . A 51 LEU HD23 . 25158 1 599 . 1 1 51 51 LEU C C 13 177.4410 0.3 . 1 . . . A 51 LEU C . 25158 1 600 . 1 1 51 51 LEU CA C 13 58.1370 0.3 . 1 . . . A 51 LEU CA . 25158 1 601 . 1 1 51 51 LEU CB C 13 41.8470 0.3 . 1 . . . A 51 LEU CB . 25158 1 602 . 1 1 51 51 LEU CG C 13 26.7500 0.3 . 1 . . . A 51 LEU CG . 25158 1 603 . 1 1 51 51 LEU CD1 C 13 26.3500 0.3 . 2 . . . A 51 LEU CD1 . 25158 1 604 . 1 1 51 51 LEU CD2 C 13 23.4100 0.3 . 2 . . . A 51 LEU CD2 . 25158 1 605 . 1 1 51 51 LEU N N 15 118.1740 0.2 . 1 . . . A 51 LEU N . 25158 1 606 . 1 1 52 52 GLY H H 1 8.0340 0.02 . 1 . . . A 52 GLY H . 25158 1 607 . 1 1 52 52 GLY HA2 H 1 4.0530 0.02 . 1 . . . A 52 GLY HA2 . 25158 1 608 . 1 1 52 52 GLY HA3 H 1 3.8400 0.02 . 1 . . . A 52 GLY HA3 . 25158 1 609 . 1 1 52 52 GLY C C 13 176.7640 0.3 . 1 . . . A 52 GLY C . 25158 1 610 . 1 1 52 52 GLY CA C 13 47.6420 0.3 . 1 . . . A 52 GLY CA . 25158 1 611 . 1 1 52 52 GLY N N 15 105.5960 0.2 . 1 . . . A 52 GLY N . 25158 1 612 . 1 1 53 53 ILE H H 1 7.6110 0.02 . 1 . . . A 53 ILE H . 25158 1 613 . 1 1 53 53 ILE HA H 1 3.4490 0.02 . 1 . . . A 53 ILE HA . 25158 1 614 . 1 1 53 53 ILE HB H 1 1.8680 0.02 . 1 . . . A 53 ILE HB . 25158 1 615 . 1 1 53 53 ILE HG12 H 1 0.8140 0.02 . 1 . . . A 53 ILE HG12 . 25158 1 616 . 1 1 53 53 ILE HG13 H 1 1.9250 0.02 . 1 . . . A 53 ILE HG13 . 25158 1 617 . 1 1 53 53 ILE HG21 H 1 0.7650 0.02 . 1 . . . A 53 ILE HG21 . 25158 1 618 . 1 1 53 53 ILE HG22 H 1 0.7650 0.02 . 1 . . . A 53 ILE HG22 . 25158 1 619 . 1 1 53 53 ILE HG23 H 1 0.7650 0.02 . 1 . . . A 53 ILE HG23 . 25158 1 620 . 1 1 53 53 ILE HD11 H 1 0.9600 0.02 . 1 . . . A 53 ILE HD11 . 25158 1 621 . 1 1 53 53 ILE HD12 H 1 0.9600 0.02 . 1 . . . A 53 ILE HD12 . 25158 1 622 . 1 1 53 53 ILE HD13 H 1 0.9600 0.02 . 1 . . . A 53 ILE HD13 . 25158 1 623 . 1 1 53 53 ILE C C 13 177.1120 0.3 . 1 . . . A 53 ILE C . 25158 1 624 . 1 1 53 53 ILE CA C 13 65.3880 0.3 . 1 . . . A 53 ILE CA . 25158 1 625 . 1 1 53 53 ILE CB C 13 38.2580 0.3 . 1 . . . A 53 ILE CB . 25158 1 626 . 1 1 53 53 ILE CG1 C 13 29.4680 0.3 . 1 . . . A 53 ILE CG1 . 25158 1 627 . 1 1 53 53 ILE CG2 C 13 19.3250 0.3 . 1 . . . A 53 ILE CG2 . 25158 1 628 . 1 1 53 53 ILE CD1 C 13 15.3100 0.3 . 1 . . . A 53 ILE CD1 . 25158 1 629 . 1 1 53 53 ILE N N 15 122.0430 0.2 . 1 . . . A 53 ILE N . 25158 1 630 . 1 1 54 54 LEU H H 1 8.3230 0.02 . 1 . . . A 54 LEU H . 25158 1 631 . 1 1 54 54 LEU HA H 1 3.9410 0.02 . 1 . . . A 54 LEU HA . 25158 1 632 . 1 1 54 54 LEU C C 13 175.3400 0.3 . 1 . . . A 54 LEU C . 25158 1 633 . 1 1 54 54 LEU CA C 13 58.1950 0.3 . 1 . . . A 54 LEU CA . 25158 1 634 . 1 1 54 54 LEU CB C 13 41.2210 0.3 . 1 . . . A 54 LEU CB . 25158 1 635 . 1 1 54 54 LEU N N 15 120.7870 0.2 . 1 . . . A 54 LEU N . 25158 1 636 . 1 1 55 55 LYS H H 1 8.3560 0.02 . 1 . . . A 55 LYS H . 25158 1 637 . 1 1 55 55 LYS HA H 1 3.8840 0.02 . 1 . . . A 55 LYS HA . 25158 1 638 . 1 1 55 55 LYS HB2 H 1 1.9100 0.02 . 2 . . . A 55 LYS HB2 . 25158 1 639 . 1 1 55 55 LYS HB3 H 1 1.9100 0.02 . 1 . . . A 55 LYS HB3 . 25158 1 640 . 1 1 55 55 LYS HG2 H 1 1.3800 0.02 . 1 . . . A 55 LYS HG2 . 25158 1 641 . 1 1 55 55 LYS HG3 H 1 1.3800 0.02 . 1 . . . A 55 LYS HG3 . 25158 1 642 . 1 1 55 55 LYS HD2 H 1 1.6920 0.02 . 1 . . . A 55 LYS HD2 . 25158 1 643 . 1 1 55 55 LYS HD3 H 1 1.7390 0.02 . 1 . . . A 55 LYS HD3 . 25158 1 644 . 1 1 55 55 LYS HE2 H 1 2.9450 0.02 . 1 . . . A 55 LYS HE2 . 25158 1 645 . 1 1 55 55 LYS HE3 H 1 2.9450 0.02 . 1 . . . A 55 LYS HE3 . 25158 1 646 . 1 1 55 55 LYS C C 13 179.0670 0.3 . 1 . . . A 55 LYS C . 25158 1 647 . 1 1 55 55 LYS CA C 13 60.6510 0.3 . 1 . . . A 55 LYS CA . 25158 1 648 . 1 1 55 55 LYS CB C 13 32.0090 0.3 . 1 . . . A 55 LYS CB . 25158 1 649 . 1 1 55 55 LYS CG C 13 25.5230 0.3 . 1 . . . A 55 LYS CG . 25158 1 650 . 1 1 55 55 LYS CD C 13 29.6090 0.3 . 1 . . . A 55 LYS CD . 25158 1 651 . 1 1 55 55 LYS CE C 13 41.8650 0.3 . 1 . . . A 55 LYS CE . 25158 1 652 . 1 1 55 55 LYS N N 15 116.8330 0.2 . 1 . . . A 55 LYS N . 25158 1 653 . 1 1 56 56 ARG H H 1 7.5430 0.02 . 1 . . . A 56 ARG H . 25158 1 654 . 1 1 56 56 ARG HA H 1 3.9160 0.02 . 1 . . . A 56 ARG HA . 25158 1 655 . 1 1 56 56 ARG HB2 H 1 1.7330 0.02 . 1 . . . A 56 ARG HB2 . 25158 1 656 . 1 1 56 56 ARG HB3 H 1 1.8750 0.02 . 1 . . . A 56 ARG HB3 . 25158 1 657 . 1 1 56 56 ARG HG2 H 1 2.0430 0.02 . 1 . . . A 56 ARG HG2 . 25158 1 658 . 1 1 56 56 ARG HG3 H 1 1.6030 0.02 . 1 . . . A 56 ARG HG3 . 25158 1 659 . 1 1 56 56 ARG HD2 H 1 2.9500 0.02 . 1 . . . A 56 ARG HD2 . 25158 1 660 . 1 1 56 56 ARG HD3 H 1 3.1640 0.02 . 1 . . . A 56 ARG HD3 . 25158 1 661 . 1 1 56 56 ARG HE H 1 7.2200 0.02 . 1 . . . A 56 ARG HE . 25158 1 662 . 1 1 56 56 ARG C C 13 178.2230 0.3 . 1 . . . A 56 ARG C . 25158 1 663 . 1 1 56 56 ARG CA C 13 60.3510 0.3 . 1 . . . A 56 ARG CA . 25158 1 664 . 1 1 56 56 ARG CB C 13 30.7800 0.3 . 1 . . . A 56 ARG CB . 25158 1 665 . 1 1 56 56 ARG CG C 13 27.7770 0.3 . 1 . . . A 56 ARG CG . 25158 1 666 . 1 1 56 56 ARG CD C 13 44.3300 0.3 . 1 . . . A 56 ARG CD . 25158 1 667 . 1 1 56 56 ARG N N 15 117.0920 0.2 . 1 . . . A 56 ARG N . 25158 1 668 . 1 1 56 56 ARG NE N 15 84.2590 0.2 . 1 . . . A 56 ARG NE . 25158 1 669 . 1 1 57 57 TYR H H 1 8.5920 0.02 . 1 . . . A 57 TYR H . 25158 1 670 . 1 1 57 57 TYR HA H 1 4.3920 0.02 . 1 . . . A 57 TYR HA . 25158 1 671 . 1 1 57 57 TYR HB2 H 1 3.2870 0.02 . 1 . . . A 57 TYR HB2 . 25158 1 672 . 1 1 57 57 TYR HB3 H 1 2.8450 0.02 . 1 . . . A 57 TYR HB3 . 25158 1 673 . 1 1 57 57 TYR HD1 H 1 6.7330 0.02 . 3 . . . A 57 TYR HD1 . 25158 1 674 . 1 1 57 57 TYR HD2 H 1 6.7330 0.02 . 3 . . . A 57 TYR HD2 . 25158 1 675 . 1 1 57 57 TYR HE1 H 1 6.6190 0.02 . 3 . . . A 57 TYR HE1 . 25158 1 676 . 1 1 57 57 TYR HE2 H 1 6.6190 0.02 . 3 . . . A 57 TYR HE2 . 25158 1 677 . 1 1 57 57 TYR C C 13 180.0090 0.3 . 1 . . . A 57 TYR C . 25158 1 678 . 1 1 57 57 TYR CA C 13 61.5790 0.3 . 1 . . . A 57 TYR CA . 25158 1 679 . 1 1 57 57 TYR CB C 13 38.8360 0.3 . 1 . . . A 57 TYR CB . 25158 1 680 . 1 1 57 57 TYR CD1 C 13 132.8960 0.3 . 3 . . . A 57 TYR CD1 . 25158 1 681 . 1 1 57 57 TYR CD2 C 13 132.8960 0.3 . 3 . . . A 57 TYR CD2 . 25158 1 682 . 1 1 57 57 TYR CE1 C 13 118.2920 0.3 . 3 . . . A 57 TYR CE1 . 25158 1 683 . 1 1 57 57 TYR CE2 C 13 118.2920 0.3 . 3 . . . A 57 TYR CE2 . 25158 1 684 . 1 1 57 57 TYR N N 15 122.1870 0.2 . 1 . . . A 57 TYR N . 25158 1 685 . 1 1 58 58 ILE H H 1 8.7790 0.02 . 1 . . . A 58 ILE H . 25158 1 686 . 1 1 58 58 ILE HA H 1 3.6800 0.02 . 1 . . . A 58 ILE HA . 25158 1 687 . 1 1 58 58 ILE HB H 1 1.9700 0.02 . 1 . . . A 58 ILE HB . 25158 1 688 . 1 1 58 58 ILE HG12 H 1 1.7550 0.02 . 1 . . . A 58 ILE HG12 . 25158 1 689 . 1 1 58 58 ILE HG13 H 1 1.2020 0.02 . 1 . . . A 58 ILE HG13 . 25158 1 690 . 1 1 58 58 ILE HG21 H 1 0.9380 0.02 . 1 . . . A 58 ILE HG21 . 25158 1 691 . 1 1 58 58 ILE HG22 H 1 0.9380 0.02 . 1 . . . A 58 ILE HG22 . 25158 1 692 . 1 1 58 58 ILE HG23 H 1 0.9380 0.02 . 1 . . . A 58 ILE HG23 . 25158 1 693 . 1 1 58 58 ILE HD11 H 1 0.7880 0.02 . 1 . . . A 58 ILE HD11 . 25158 1 694 . 1 1 58 58 ILE HD12 H 1 0.7880 0.02 . 1 . . . A 58 ILE HD12 . 25158 1 695 . 1 1 58 58 ILE HD13 H 1 0.7880 0.02 . 1 . . . A 58 ILE HD13 . 25158 1 696 . 1 1 58 58 ILE C C 13 178.1860 0.3 . 1 . . . A 58 ILE C . 25158 1 697 . 1 1 58 58 ILE CA C 13 64.7680 0.3 . 1 . . . A 58 ILE CA . 25158 1 698 . 1 1 58 58 ILE CB C 13 37.7200 0.3 . 1 . . . A 58 ILE CB . 25158 1 699 . 1 1 58 58 ILE CG1 C 13 29.6790 0.3 . 1 . . . A 58 ILE CG1 . 25158 1 700 . 1 1 58 58 ILE CG2 C 13 17.2820 0.3 . 1 . . . A 58 ILE CG2 . 25158 1 701 . 1 1 58 58 ILE CD1 C 13 14.1830 0.3 . 1 . . . A 58 ILE CD1 . 25158 1 702 . 1 1 58 58 ILE N N 15 122.8250 0.2 . 1 . . . A 58 ILE N . 25158 1 703 . 1 1 59 59 LEU H H 1 7.5390 0.02 . 1 . . . A 59 LEU H . 25158 1 704 . 1 1 59 59 LEU HA H 1 4.2230 0.02 . 1 . . . A 59 LEU HA . 25158 1 705 . 1 1 59 59 LEU HB2 H 1 1.7480 0.02 . 1 . . . A 59 LEU HB2 . 25158 1 706 . 1 1 59 59 LEU HB3 H 1 1.7480 0.02 . 1 . . . A 59 LEU HB3 . 25158 1 707 . 1 1 59 59 LEU HG H 1 1.7510 0.02 . 1 . . . A 59 LEU HG . 25158 1 708 . 1 1 59 59 LEU HD11 H 1 0.8390 0.02 . 1 . . . A 59 LEU HD11 . 25158 1 709 . 1 1 59 59 LEU HD12 H 1 0.8390 0.02 . 1 . . . A 59 LEU HD12 . 25158 1 710 . 1 1 59 59 LEU HD13 H 1 0.8390 0.02 . 1 . . . A 59 LEU HD13 . 25158 1 711 . 1 1 59 59 LEU HD21 H 1 0.8780 0.02 . 1 . . . A 59 LEU HD21 . 25158 1 712 . 1 1 59 59 LEU HD22 H 1 0.8780 0.02 . 1 . . . A 59 LEU HD22 . 25158 1 713 . 1 1 59 59 LEU HD23 H 1 0.8780 0.02 . 1 . . . A 59 LEU HD23 . 25158 1 714 . 1 1 59 59 LEU C C 13 175.9370 0.3 . 1 . . . A 59 LEU C . 25158 1 715 . 1 1 59 59 LEU CA C 13 55.5120 0.3 . 1 . . . A 59 LEU CA . 25158 1 716 . 1 1 59 59 LEU CB C 13 42.4260 0.3 . 1 . . . A 59 LEU CB . 25158 1 717 . 1 1 59 59 LEU CG C 13 27.0000 0.3 . 1 . . . A 59 LEU CG . 25158 1 718 . 1 1 59 59 LEU CD1 C 13 25.2370 0.3 . 2 . . . A 59 LEU CD1 . 25158 1 719 . 1 1 59 59 LEU CD2 C 13 22.4560 0.3 . 2 . . . A 59 LEU CD2 . 25158 1 720 . 1 1 59 59 LEU N N 15 118.5520 0.2 . 1 . . . A 59 LEU N . 25158 1 721 . 1 1 60 60 LYS H H 1 7.8150 0.02 . 1 . . . A 60 LYS H . 25158 1 722 . 1 1 60 60 LYS HA H 1 3.9950 0.02 . 1 . . . A 60 LYS HA . 25158 1 723 . 1 1 60 60 LYS HB2 H 1 1.9580 0.02 . 1 . . . A 60 LYS HB2 . 25158 1 724 . 1 1 60 60 LYS HB3 H 1 2.1250 0.02 . 1 . . . A 60 LYS HB3 . 25158 1 725 . 1 1 60 60 LYS HG2 H 1 1.2470 0.02 . 1 . . . A 60 LYS HG2 . 25158 1 726 . 1 1 60 60 LYS HG3 H 1 1.2860 0.02 . 1 . . . A 60 LYS HG3 . 25158 1 727 . 1 1 60 60 LYS HD2 H 1 1.6200 0.02 . 1 . . . A 60 LYS HD2 . 25158 1 728 . 1 1 60 60 LYS HD3 H 1 1.6200 0.02 . 1 . . . A 60 LYS HD3 . 25158 1 729 . 1 1 60 60 LYS HE2 H 1 2.9480 0.02 . 1 . . . A 60 LYS HE2 . 25158 1 730 . 1 1 60 60 LYS HE3 H 1 2.9480 0.02 . 1 . . . A 60 LYS HE3 . 25158 1 731 . 1 1 60 60 LYS C C 13 176.5350 0.3 . 1 . . . A 60 LYS C . 25158 1 732 . 1 1 60 60 LYS CA C 13 57.2910 0.3 . 1 . . . A 60 LYS CA . 25158 1 733 . 1 1 60 60 LYS CB C 13 28.2000 0.3 . 1 . . . A 60 LYS CB . 25158 1 734 . 1 1 60 60 LYS CG C 13 24.7370 0.3 . 1 . . . A 60 LYS CG . 25158 1 735 . 1 1 60 60 LYS CD C 13 28.5500 0.3 . 1 . . . A 60 LYS CD . 25158 1 736 . 1 1 60 60 LYS CE C 13 42.3500 0.3 . 1 . . . A 60 LYS CE . 25158 1 737 . 1 1 60 60 LYS N N 15 113.6500 0.2 . 1 . . . A 60 LYS N . 25158 1 738 . 1 1 61 61 GLU H H 1 8.4380 0.02 . 1 . . . A 61 GLU H . 25158 1 739 . 1 1 61 61 GLU HA H 1 4.1440 0.02 . 1 . . . A 61 GLU HA . 25158 1 740 . 1 1 61 61 GLU HB2 H 1 1.8240 0.02 . 1 . . . A 61 GLU HB2 . 25158 1 741 . 1 1 61 61 GLU HB3 H 1 2.1340 0.02 . 1 . . . A 61 GLU HB3 . 25158 1 742 . 1 1 61 61 GLU HG2 H 1 2.2530 0.02 . 1 . . . A 61 GLU HG2 . 25158 1 743 . 1 1 61 61 GLU HG3 H 1 2.2530 0.02 . 1 . . . A 61 GLU HG3 . 25158 1 744 . 1 1 61 61 GLU C C 13 176.9920 0.3 . 1 . . . A 61 GLU C . 25158 1 745 . 1 1 61 61 GLU CA C 13 57.6890 0.3 . 1 . . . A 61 GLU CA . 25158 1 746 . 1 1 61 61 GLU CB C 13 30.6920 0.3 . 1 . . . A 61 GLU CB . 25158 1 747 . 1 1 61 61 GLU CG C 13 36.4410 0.3 . 1 . . . A 61 GLU CG . 25158 1 748 . 1 1 61 61 GLU N N 15 117.5350 0.2 . 1 . . . A 61 GLU N . 25158 1 749 . 1 1 62 62 ILE H H 1 6.8670 0.02 . 1 . . . A 62 ILE H . 25158 1 750 . 1 1 62 62 ILE HA H 1 4.3830 0.02 . 1 . . . A 62 ILE HA . 25158 1 751 . 1 1 62 62 ILE HB H 1 1.5440 0.02 . 1 . . . A 62 ILE HB . 25158 1 752 . 1 1 62 62 ILE HG12 H 1 0.5730 0.02 . 1 . . . A 62 ILE HG12 . 25158 1 753 . 1 1 62 62 ILE HG13 H 1 1.2120 0.02 . 1 . . . A 62 ILE HG13 . 25158 1 754 . 1 1 62 62 ILE HG21 H 1 0.6660 0.02 . 1 . . . A 62 ILE HG21 . 25158 1 755 . 1 1 62 62 ILE HG22 H 1 0.6660 0.02 . 1 . . . A 62 ILE HG22 . 25158 1 756 . 1 1 62 62 ILE HG23 H 1 0.6660 0.02 . 1 . . . A 62 ILE HG23 . 25158 1 757 . 1 1 62 62 ILE HD11 H 1 0.5090 0.02 . 1 . . . A 62 ILE HD11 . 25158 1 758 . 1 1 62 62 ILE HD12 H 1 0.5090 0.02 . 1 . . . A 62 ILE HD12 . 25158 1 759 . 1 1 62 62 ILE HD13 H 1 0.5090 0.02 . 1 . . . A 62 ILE HD13 . 25158 1 760 . 1 1 62 62 ILE C C 13 175.4250 0.3 . 1 . . . A 62 ILE C . 25158 1 761 . 1 1 62 62 ILE CA C 13 59.9260 0.3 . 1 . . . A 62 ILE CA . 25158 1 762 . 1 1 62 62 ILE CB C 13 41.7480 0.3 . 1 . . . A 62 ILE CB . 25158 1 763 . 1 1 62 62 ILE CG1 C 13 26.1250 0.3 . 1 . . . A 62 ILE CG1 . 25158 1 764 . 1 1 62 62 ILE CG2 C 13 17.8690 0.3 . 1 . . . A 62 ILE CG2 . 25158 1 765 . 1 1 62 62 ILE CD1 C 13 14.3930 0.3 . 1 . . . A 62 ILE CD1 . 25158 1 766 . 1 1 62 62 ILE N N 15 112.1020 0.2 . 1 . . . A 62 ILE N . 25158 1 767 . 1 1 63 63 ASP H H 1 8.5610 0.02 . 1 . . . A 63 ASP H . 25158 1 768 . 1 1 63 63 ASP HA H 1 4.6740 0.02 . 1 . . . A 63 ASP HA . 25158 1 769 . 1 1 63 63 ASP HB2 H 1 2.8470 0.02 . 1 . . . A 63 ASP HB2 . 25158 1 770 . 1 1 63 63 ASP HB3 H 1 2.6650 0.02 . 1 . . . A 63 ASP HB3 . 25158 1 771 . 1 1 63 63 ASP C C 13 176.2020 0.3 . 1 . . . A 63 ASP C . 25158 1 772 . 1 1 63 63 ASP CA C 13 54.8180 0.3 . 1 . . . A 63 ASP CA . 25158 1 773 . 1 1 63 63 ASP CB C 13 42.2170 0.3 . 1 . . . A 63 ASP CB . 25158 1 774 . 1 1 63 63 ASP N N 15 119.7190 0.2 . 1 . . . A 63 ASP N . 25158 1 775 . 1 1 64 64 THR H H 1 7.4100 0.02 . 1 . . . A 64 THR H . 25158 1 776 . 1 1 64 64 THR HA H 1 4.7120 0.02 . 1 . . . A 64 THR HA . 25158 1 777 . 1 1 64 64 THR HB H 1 4.0390 0.02 . 1 . . . A 64 THR HB . 25158 1 778 . 1 1 64 64 THR HG21 H 1 1.1880 0.02 . 1 . . . A 64 THR HG21 . 25158 1 779 . 1 1 64 64 THR HG22 H 1 1.1880 0.02 . 1 . . . A 64 THR HG22 . 25158 1 780 . 1 1 64 64 THR HG23 H 1 1.1880 0.02 . 1 . . . A 64 THR HG23 . 25158 1 781 . 1 1 64 64 THR C C 13 170.8540 0.3 . 1 . . . A 64 THR C . 25158 1 782 . 1 1 64 64 THR CA C 13 61.2690 0.3 . 1 . . . A 64 THR CA . 25158 1 783 . 1 1 64 64 THR CB C 13 71.9930 0.3 . 1 . . . A 64 THR CB . 25158 1 784 . 1 1 64 64 THR CG2 C 13 20.9450 0.3 . 1 . . . A 64 THR CG2 . 25158 1 785 . 1 1 64 64 THR N N 15 113.2890 0.2 . 1 . . . A 64 THR N . 25158 1 786 . 1 1 65 65 LEU H H 1 7.8770 0.02 . 1 . . . A 65 LEU H . 25158 1 787 . 1 1 65 65 LEU HA H 1 4.2290 0.02 . 1 . . . A 65 LEU HA . 25158 1 788 . 1 1 65 65 LEU HB2 H 1 0.5220 0.02 . 1 . . . A 65 LEU HB2 . 25158 1 789 . 1 1 65 65 LEU HB3 H 1 1.2980 0.02 . 1 . . . A 65 LEU HB3 . 25158 1 790 . 1 1 65 65 LEU HG H 1 0.7860 0.02 . 1 . . . A 65 LEU HG . 25158 1 791 . 1 1 65 65 LEU HD11 H 1 0.6530 0.02 . 1 . . . A 65 LEU HD11 . 25158 1 792 . 1 1 65 65 LEU HD12 H 1 0.6530 0.02 . 1 . . . A 65 LEU HD12 . 25158 1 793 . 1 1 65 65 LEU HD13 H 1 0.6530 0.02 . 1 . . . A 65 LEU HD13 . 25158 1 794 . 1 1 65 65 LEU HD21 H 1 0.0110 0.02 . 1 . . . A 65 LEU HD21 . 25158 1 795 . 1 1 65 65 LEU HD22 H 1 0.0110 0.02 . 1 . . . A 65 LEU HD22 . 25158 1 796 . 1 1 65 65 LEU HD23 H 1 0.0110 0.02 . 1 . . . A 65 LEU HD23 . 25158 1 797 . 1 1 65 65 LEU C C 13 174.7630 0.3 . 1 . . . A 65 LEU C . 25158 1 798 . 1 1 65 65 LEU CA C 13 51.6350 0.3 . 1 . . . A 65 LEU CA . 25158 1 799 . 1 1 65 65 LEU CB C 13 44.5200 0.3 . 1 . . . A 65 LEU CB . 25158 1 800 . 1 1 65 65 LEU CG C 13 26.7910 0.3 . 1 . . . A 65 LEU CG . 25158 1 801 . 1 1 65 65 LEU CD1 C 13 24.3260 0.3 . 2 . . . A 65 LEU CD1 . 25158 1 802 . 1 1 65 65 LEU CD2 C 13 25.2420 0.3 . 2 . . . A 65 LEU CD2 . 25158 1 803 . 1 1 65 65 LEU N N 15 121.0120 0.2 . 1 . . . A 65 LEU N . 25158 1 804 . 1 1 66 66 PRO HA H 1 3.9920 0.02 . 1 . . . A 66 PRO HA . 25158 1 805 . 1 1 66 66 PRO HB2 H 1 1.6410 0.02 . 1 . . . A 66 PRO HB2 . 25158 1 806 . 1 1 66 66 PRO HB3 H 1 1.5780 0.02 . 1 . . . A 66 PRO HB3 . 25158 1 807 . 1 1 66 66 PRO HG2 H 1 1.3370 0.02 . 1 . . . A 66 PRO HG2 . 25158 1 808 . 1 1 66 66 PRO HG3 H 1 1.4340 0.02 . 1 . . . A 66 PRO HG3 . 25158 1 809 . 1 1 66 66 PRO HD2 H 1 2.6270 0.02 . 1 . . . A 66 PRO HD2 . 25158 1 810 . 1 1 66 66 PRO HD3 H 1 3.2880 0.02 . 1 . . . A 66 PRO HD3 . 25158 1 811 . 1 1 66 66 PRO C C 13 174.4190 0.3 . 1 . . . A 66 PRO C . 25158 1 812 . 1 1 66 66 PRO CA C 13 62.3100 0.3 . 1 . . . A 66 PRO CA . 25158 1 813 . 1 1 66 66 PRO CB C 13 35.2260 0.3 . 1 . . . A 66 PRO CB . 25158 1 814 . 1 1 66 66 PRO CG C 13 24.2550 0.3 . 1 . . . A 66 PRO CG . 25158 1 815 . 1 1 66 66 PRO CD C 13 50.1060 0.3 . 1 . . . A 66 PRO CD . 25158 1 816 . 1 1 67 67 TYR H H 1 8.6620 0.02 . 1 . . . A 67 TYR H . 25158 1 817 . 1 1 67 67 TYR HA H 1 4.6560 0.02 . 1 . . . A 67 TYR HA . 25158 1 818 . 1 1 67 67 TYR HB2 H 1 2.9080 0.02 . 1 . . . A 67 TYR HB2 . 25158 1 819 . 1 1 67 67 TYR HB3 H 1 2.7650 0.02 . 1 . . . A 67 TYR HB3 . 25158 1 820 . 1 1 67 67 TYR HD1 H 1 7.1520 0.02 . 3 . . . A 67 TYR HD1 . 25158 1 821 . 1 1 67 67 TYR HD2 H 1 7.1520 0.02 . 3 . . . A 67 TYR HD2 . 25158 1 822 . 1 1 67 67 TYR HE1 H 1 6.8640 0.02 . 3 . . . A 67 TYR HE1 . 25158 1 823 . 1 1 67 67 TYR HE2 H 1 6.8640 0.02 . 3 . . . A 67 TYR HE2 . 25158 1 824 . 1 1 67 67 TYR C C 13 174.4460 0.3 . 1 . . . A 67 TYR C . 25158 1 825 . 1 1 67 67 TYR CA C 13 58.0110 0.3 . 1 . . . A 67 TYR CA . 25158 1 826 . 1 1 67 67 TYR CB C 13 41.0810 0.3 . 1 . . . A 67 TYR CB . 25158 1 827 . 1 1 67 67 TYR CD1 C 13 133.4890 0.3 . 3 . . . A 67 TYR CD1 . 25158 1 828 . 1 1 67 67 TYR CD2 C 13 133.4890 0.3 . 3 . . . A 67 TYR CD2 . 25158 1 829 . 1 1 67 67 TYR CE1 C 13 118.4390 0.3 . 3 . . . A 67 TYR CE1 . 25158 1 830 . 1 1 67 67 TYR CE2 C 13 118.4390 0.3 . 3 . . . A 67 TYR CE2 . 25158 1 831 . 1 1 67 67 TYR N N 15 122.6160 0.2 . 1 . . . A 67 TYR N . 25158 1 832 . 1 1 68 68 LYS H H 1 8.1120 0.02 . 1 . . . A 68 LYS H . 25158 1 833 . 1 1 68 68 LYS HA H 1 4.2680 0.02 . 1 . . . A 68 LYS HA . 25158 1 834 . 1 1 68 68 LYS HB2 H 1 1.7840 0.02 . 1 . . . A 68 LYS HB2 . 25158 1 835 . 1 1 68 68 LYS HB3 H 1 1.4410 0.02 . 1 . . . A 68 LYS HB3 . 25158 1 836 . 1 1 68 68 LYS HG2 H 1 1.1710 0.02 . 1 . . . A 68 LYS HG2 . 25158 1 837 . 1 1 68 68 LYS HG3 H 1 1.1710 0.02 . 1 . . . A 68 LYS HG3 . 25158 1 838 . 1 1 68 68 LYS HD2 H 1 1.5340 0.02 . 1 . . . A 68 LYS HD2 . 25158 1 839 . 1 1 68 68 LYS HD3 H 1 1.5340 0.02 . 1 . . . A 68 LYS HD3 . 25158 1 840 . 1 1 68 68 LYS HE2 H 1 2.8430 0.02 . 1 . . . A 68 LYS HE2 . 25158 1 841 . 1 1 68 68 LYS HE3 H 1 2.8430 0.02 . 1 . . . A 68 LYS HE3 . 25158 1 842 . 1 1 68 68 LYS C C 13 174.7480 0.3 . 1 . . . A 68 LYS C . 25158 1 843 . 1 1 68 68 LYS CA C 13 55.6030 0.3 . 1 . . . A 68 LYS CA . 25158 1 844 . 1 1 68 68 LYS CB C 13 32.7700 0.3 . 1 . . . A 68 LYS CB . 25158 1 845 . 1 1 68 68 LYS CG C 13 24.3800 0.3 . 1 . . . A 68 LYS CG . 25158 1 846 . 1 1 68 68 LYS CD C 13 28.7640 0.3 . 1 . . . A 68 LYS CD . 25158 1 847 . 1 1 68 68 LYS CE C 13 41.8660 0.3 . 1 . . . A 68 LYS CE . 25158 1 848 . 1 1 68 68 LYS N N 15 126.2230 0.2 . 1 . . . A 68 LYS N . 25158 1 849 . 1 1 69 69 ASN H H 1 6.9140 0.02 . 1 . . . A 69 ASN H . 25158 1 850 . 1 1 69 69 ASN HA H 1 4.3290 0.02 . 1 . . . A 69 ASN HA . 25158 1 851 . 1 1 69 69 ASN HB2 H 1 2.7060 0.02 . 1 . . . A 69 ASN HB2 . 25158 1 852 . 1 1 69 69 ASN HB3 H 1 2.3430 0.02 . 1 . . . A 69 ASN HB3 . 25158 1 853 . 1 1 69 69 ASN HD21 H 1 6.7270 0.02 . 1 . . . A 69 ASN HD21 . 25158 1 854 . 1 1 69 69 ASN HD22 H 1 7.3140 0.02 . 1 . . . A 69 ASN HD22 . 25158 1 855 . 1 1 69 69 ASN C C 13 179.0320 0.3 . 1 . . . A 69 ASN C . 25158 1 856 . 1 1 69 69 ASN CA C 13 54.7840 0.3 . 1 . . . A 69 ASN CA . 25158 1 857 . 1 1 69 69 ASN CB C 13 40.2460 0.3 . 1 . . . A 69 ASN CB . 25158 1 858 . 1 1 69 69 ASN N N 15 123.9640 0.2 . 1 . . . A 69 ASN N . 25158 1 859 . 1 1 69 69 ASN ND2 N 15 112.0130 0.2 . 1 . . . A 69 ASN ND2 . 25158 1 stop_ save_