data_15682 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15682 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Epidermal Growth Factor-like 2 domain from Microneme Protein 6 (Toxoplasma gondii) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-03-14 _Entry.Accession_date 2008-03-14 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.112 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'The construct contains a felxible N-terminal extension which readily degraded and was only assignable in part. The structural integrity of the EGF2 domain was unaffected and therefore complete assignments are recorded.' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kovilen Sawmynaden . . . 15682 2 Savvas Saouros . . . 15682 3 Jan Marchant . . . 15682 4 Peter Simpson . . . 15682 5 Stephen Matthews . . . 15682 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15682 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 218 15682 '15N chemical shifts' 54 15682 '1H chemical shifts' 332 15682 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 3 . . 2009-08-13 2008-03-14 update BMRB 'added PubMed ID and related entries' 15682 2 . . 2008-12-03 2008-03-14 update BMRB 'complete entry citation' 15682 1 . . 2008-10-03 2008-03-14 original author 'original release' 15682 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15685 'EGF2 - MIC1 complex' 15682 BMRB 15692 'TgMIC1-CT TgMIC16-EGF2 complex' 15682 BMRB 6376 'C-terminal domain from TgMIC1' 15682 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15682 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636901 _Citation.Full_citation . _Citation.Title 'Complete NMR assignments for the second EGF domain of MIC6 from Toxoplasma gondii and re-assignment in complex with the galectin-like domain of MIC1' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume 2 _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 187 _Citation.Page_last 189 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Kovilen Sawmynaden . . . 15682 1 2 Savvas Saouros . . . 15682 1 3 Jan Marchant . . . 15682 1 4 Peter Simpson . . . 15682 1 5 Stephen Matthews . . . 15682 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15682 _Assembly.ID 1 _Assembly.Name 'Epidermal Growth Factor-like domain 2' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'Epidermal Growth Factor-like domain 2' 1 $Epidermal_Growth_Factor-like_domain_2 A . yes native no no . . . 15682 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 14 14 SG . 1 . 1 CYS 27 27 SG . . . . . . . . . . 15682 1 2 disulfide single . 1 . 1 CYS 19 19 SG . 1 . 1 CYS 36 36 SG . . . . . . . . . . 15682 1 3 disulfide single . 1 . 1 CYS 38 38 SG . 1 . 1 CYS 54 54 SG . . . . . . . . . . 15682 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Epidermal_Growth_Factor-like_domain_2 _Entity.Sf_category entity _Entity.Sf_framecode Epidermal_Growth_Factor-like_domain_2 _Entity.Entry_ID 15682 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Epidermal_Growth_Factor-like_domain_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MANFVQLSETPAACSSNPCG PEAAGTCKETNSGYICRCNQ GYRISLDGTGNVTCIVRQES G ; _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 61 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Epidermal growth factor-like domain 2 (EGF2)' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6362 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15685 . Epidermal_Growth_Factor-like_domain_2 . . . . . 100.00 61 100.00 100.00 1.96e-35 . . . . 15682 1 2 no PDB 2K2S . "Structure Of The Mic1-GldMIC6-Egf Complex From Toxoplasma Gondii" . . . . . 100.00 61 100.00 100.00 1.96e-35 . . . . 15682 1 3 no PDB 2K2T . "Epidermal Growth Factor-Like Domain 2 From Toxoplasma Gondii Microneme Protein 6" . . . . . 100.00 61 100.00 100.00 1.96e-35 . . . . 15682 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15682 1 2 . ALA . 15682 1 3 . ASN . 15682 1 4 . PHE . 15682 1 5 . VAL . 15682 1 6 . GLN . 15682 1 7 . LEU . 15682 1 8 . SER . 15682 1 9 . GLU . 15682 1 10 . THR . 15682 1 11 . PRO . 15682 1 12 . ALA . 15682 1 13 . ALA . 15682 1 14 . CYS . 15682 1 15 . SER . 15682 1 16 . SER . 15682 1 17 . ASN . 15682 1 18 . PRO . 15682 1 19 . CYS . 15682 1 20 . GLY . 15682 1 21 . PRO . 15682 1 22 . GLU . 15682 1 23 . ALA . 15682 1 24 . ALA . 15682 1 25 . GLY . 15682 1 26 . THR . 15682 1 27 . CYS . 15682 1 28 . LYS . 15682 1 29 . GLU . 15682 1 30 . THR . 15682 1 31 . ASN . 15682 1 32 . SER . 15682 1 33 . GLY . 15682 1 34 . TYR . 15682 1 35 . ILE . 15682 1 36 . CYS . 15682 1 37 . ARG . 15682 1 38 . CYS . 15682 1 39 . ASN . 15682 1 40 . GLN . 15682 1 41 . GLY . 15682 1 42 . TYR . 15682 1 43 . ARG . 15682 1 44 . ILE . 15682 1 45 . SER . 15682 1 46 . LEU . 15682 1 47 . ASP . 15682 1 48 . GLY . 15682 1 49 . THR . 15682 1 50 . GLY . 15682 1 51 . ASN . 15682 1 52 . VAL . 15682 1 53 . THR . 15682 1 54 . CYS . 15682 1 55 . ILE . 15682 1 56 . VAL . 15682 1 57 . ARG . 15682 1 58 . GLN . 15682 1 59 . GLU . 15682 1 60 . SER . 15682 1 61 . GLY . 15682 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 . MET 1 1 15682 1 . ALA 2 2 15682 1 . ASN 3 3 15682 1 . PHE 4 4 15682 1 . VAL 5 5 15682 1 . GLN 6 6 15682 1 . LEU 7 7 15682 1 . SER 8 8 15682 1 . GLU 9 9 15682 1 . THR 10 10 15682 1 . PRO 11 11 15682 1 . ALA 12 12 15682 1 . ALA 13 13 15682 1 . CYS 14 14 15682 1 . SER 15 15 15682 1 . SER 16 16 15682 1 . ASN 17 17 15682 1 . PRO 18 18 15682 1 . CYS 19 19 15682 1 . GLY 20 20 15682 1 . PRO 21 21 15682 1 . GLU 22 22 15682 1 . ALA 23 23 15682 1 . ALA 24 24 15682 1 . GLY 25 25 15682 1 . THR 26 26 15682 1 . CYS 27 27 15682 1 . LYS 28 28 15682 1 . GLU 29 29 15682 1 . THR 30 30 15682 1 . ASN 31 31 15682 1 . SER 32 32 15682 1 . GLY 33 33 15682 1 . TYR 34 34 15682 1 . ILE 35 35 15682 1 . CYS 36 36 15682 1 . ARG 37 37 15682 1 . CYS 38 38 15682 1 . ASN 39 39 15682 1 . GLN 40 40 15682 1 . GLY 41 41 15682 1 . TYR 42 42 15682 1 . ARG 43 43 15682 1 . ILE 44 44 15682 1 . SER 45 45 15682 1 . LEU 46 46 15682 1 . ASP 47 47 15682 1 . GLY 48 48 15682 1 . THR 49 49 15682 1 . GLY 50 50 15682 1 . ASN 51 51 15682 1 . VAL 52 52 15682 1 . THR 53 53 15682 1 . CYS 54 54 15682 1 . ILE 55 55 15682 1 . VAL 56 56 15682 1 . ARG 57 57 15682 1 . GLN 58 58 15682 1 . GLU 59 59 15682 1 . SER 60 60 15682 1 . GLY 61 61 15682 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 15682 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Epidermal_Growth_Factor-like_domain_2 . 5811 organism . 'Toxoplasma gondii' 'Toxoplasma gondii' . . Eukaryota . Toxoplasma gondii . . . . . . . . . . . . . . . . . . . . . 15682 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 15682 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Epidermal_Growth_Factor-like_domain_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pET-32 Xa/LIC' . . . 'Expressed as thioredoxin fusion protein. Fusion partner removed for structural study.' . . 15682 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15682 _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 'Epidermal Growth Factor-like domain 2' '[U-98% 13C; U-98% 15N]' . . 1 $Epidermal_Growth_Factor-like_domain_2 . . 0.5 . . mM . . . . 15682 1 2 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 15682 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15682 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 15682 _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 pH 6.8 . pH 15682 1 temperature 303 . K 15682 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15682 _Software.ID 1 _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' . . 15682 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Peak picking' 15682 1 'Viewing NMR spectra' 15682 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15682 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Cryoprobe fitted.' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 15682 _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 DRX . 500 'Cryoprobe fitted.' . . 15682 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 15682 _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 . . . . . . . . . . . . . . . . 15682 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15682 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15682 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15682 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15682 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15682 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15682 1 8 '3D HC(CO)NH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15682 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 15682 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15682 1 H 1 water protons . . . . ppm 4.725 internal direct 1.000000000 . . . . . . . . . 15682 1 N 15 water protons . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15682 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 15682 _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' . . . 15682 1 2 '3D HNCACB' . . . 15682 1 3 '3D CBCA(CO)NH' . . . 15682 1 4 '3D HNCO' . . . 15682 1 5 '3D HN(CA)CO' . . . 15682 1 6 '3D HCCH-TOCSY' . . . 15682 1 7 '3D HBHA(CO)NH' . . . 15682 1 8 '3D HC(CO)NH-TOCSY' . . . 15682 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 3 3 ASN HA H 1 4.653 0.05 . 1 . . . . 3 N HA . 15682 1 2 . 1 1 3 3 ASN HB2 H 1 2.708 0.05 . 2 . . . . 3 N HB1 . 15682 1 3 . 1 1 3 3 ASN HB3 H 1 2.708 0.05 . 2 . . . . 3 N HB2 . 15682 1 4 . 1 1 3 3 ASN C C 13 174.565 0.5 . 1 . . . . 3 N C . 15682 1 5 . 1 1 3 3 ASN CA C 13 53.256 0.5 . 1 . . . . 3 N CA . 15682 1 6 . 1 1 3 3 ASN CB C 13 38.929 0.5 . 1 . . . . 3 N CB . 15682 1 7 . 1 1 4 4 PHE H H 1 8.078 0.05 . 1 . . . . 4 F HN . 15682 1 8 . 1 1 4 4 PHE HA H 1 4.574 0.05 . 1 . . . . 4 F HA . 15682 1 9 . 1 1 4 4 PHE HB2 H 1 3.076 0.05 . 2 . . . . 4 F HB1 . 15682 1 10 . 1 1 4 4 PHE HB3 H 1 3.000 0.05 . 2 . . . . 4 F HB2 . 15682 1 11 . 1 1 4 4 PHE C C 13 175.207 0.5 . 1 . . . . 4 F C . 15682 1 12 . 1 1 4 4 PHE CA C 13 57.869 0.5 . 1 . . . . 4 F CA . 15682 1 13 . 1 1 4 4 PHE CB C 13 39.346 0.5 . 1 . . . . 4 F CB . 15682 1 14 . 1 1 4 4 PHE N N 15 120.527 0.5 . 1 . . . . 4 F N . 15682 1 15 . 1 1 5 5 VAL H H 1 7.934 0.05 . 1 . . . . 5 V HN . 15682 1 16 . 1 1 5 5 VAL HA H 1 4.359 0.05 . 1 . . . . 5 V HA . 15682 1 17 . 1 1 5 5 VAL HB H 1 1.920 0.05 . 1 . . . . 5 V HB . 15682 1 18 . 1 1 5 5 VAL C C 13 175.251 0.5 . 1 . . . . 5 V C . 15682 1 19 . 1 1 5 5 VAL CA C 13 63.200 0.5 . 1 . . . . 5 V CA . 15682 1 20 . 1 1 5 5 VAL CB C 13 32.278 0.5 . 1 . . . . 5 V CB . 15682 1 21 . 1 1 5 5 VAL N N 15 122.901 0.5 . 1 . . . . 5 V N . 15682 1 22 . 1 1 6 6 GLN H H 1 8.335 0.05 . 1 . . . . 6 Q HN . 15682 1 23 . 1 1 6 6 GLN HA H 1 4.305 0.05 . 1 . . . . 6 Q HA . 15682 1 24 . 1 1 6 6 GLN HB2 H 1 2.072 0.05 . 2 . . . . 6 Q HB1 . 15682 1 25 . 1 1 6 6 GLN HB3 H 1 1.933 0.05 . 2 . . . . 6 Q HB2 . 15682 1 26 . 1 1 6 6 GLN HG2 H 1 2.276 0.05 . 2 . . . . 6 Q HG1 . 15682 1 27 . 1 1 6 6 GLN HG3 H 1 2.276 0.05 . 2 . . . . 6 Q HG2 . 15682 1 28 . 1 1 6 6 GLN C C 13 175.624 0.5 . 1 . . . . 6 Q C . 15682 1 29 . 1 1 6 6 GLN CA C 13 55.643 0.5 . 1 . . . . 6 Q CA . 15682 1 30 . 1 1 6 6 GLN CB C 13 29.378 0.5 . 1 . . . . 6 Q CB . 15682 1 31 . 1 1 6 6 GLN CG C 13 33.788 0.5 . 1 . . . . 6 Q CG . 15682 1 32 . 1 1 6 6 GLN N N 15 124.679 0.5 . 1 . . . . 6 Q N . 15682 1 33 . 1 1 7 7 LEU H H 1 8.338 0.05 . 1 . . . . 7 L HN . 15682 1 34 . 1 1 7 7 LEU HA H 1 4.316 0.05 . 1 . . . . 7 L HA . 15682 1 35 . 1 1 7 7 LEU HB2 H 1 1.569 0.05 . 2 . . . . 7 L HB1 . 15682 1 36 . 1 1 7 7 LEU HB3 H 1 1.569 0.05 . 2 . . . . 7 L HB2 . 15682 1 37 . 1 1 7 7 LEU HD11 H 1 0.863 0.05 . 2 . . . . 7 L HD11 . 15682 1 38 . 1 1 7 7 LEU HD12 H 1 0.863 0.05 . 2 . . . . 7 L HD11 . 15682 1 39 . 1 1 7 7 LEU HD13 H 1 0.863 0.05 . 2 . . . . 7 L HD11 . 15682 1 40 . 1 1 7 7 LEU HD21 H 1 0.822 0.05 . 2 . . . . 7 L HD21 . 15682 1 41 . 1 1 7 7 LEU HD22 H 1 0.822 0.05 . 2 . . . . 7 L HD21 . 15682 1 42 . 1 1 7 7 LEU HD23 H 1 0.822 0.05 . 2 . . . . 7 L HD21 . 15682 1 43 . 1 1 7 7 LEU HG H 1 1.605 0.05 . 1 . . . . 7 L HG . 15682 1 44 . 1 1 7 7 LEU C C 13 177.310 0.5 . 1 . . . . 7 L C . 15682 1 45 . 1 1 7 7 LEU CA C 13 55.343 0.5 . 1 . . . . 7 L CA . 15682 1 46 . 1 1 7 7 LEU CB C 13 42.377 0.5 . 1 . . . . 7 L CB . 15682 1 47 . 1 1 7 7 LEU CD1 C 13 24.948 0.5 . 1 . . . . 7 L CD1 . 15682 1 48 . 1 1 7 7 LEU CD2 C 13 23.516 0.5 . 1 . . . . 7 L CD2 . 15682 1 49 . 1 1 7 7 LEU CG C 13 27.053 0.5 . 1 . . . . 7 L CG . 15682 1 50 . 1 1 7 7 LEU N N 15 125.018 0.5 . 1 . . . . 7 L N . 15682 1 51 . 1 1 8 8 SER H H 1 8.278 0.05 . 1 . . . . 8 S HN . 15682 1 52 . 1 1 8 8 SER HA H 1 4.468 0.05 . 1 . . . . 8 S HA . 15682 1 53 . 1 1 8 8 SER HB2 H 1 3.837 0.05 . 2 . . . . 8 S HB1 . 15682 1 54 . 1 1 8 8 SER HB3 H 1 3.837 0.05 . 2 . . . . 8 S HB2 . 15682 1 55 . 1 1 8 8 SER C C 13 174.297 0.5 . 1 . . . . 8 S C . 15682 1 56 . 1 1 8 8 SER CA C 13 58.330 0.5 . 1 . . . . 8 S CA . 15682 1 57 . 1 1 8 8 SER CB C 13 63.851 0.5 . 1 . . . . 8 S CB . 15682 1 58 . 1 1 8 8 SER N N 15 116.419 0.5 . 1 . . . . 8 S N . 15682 1 59 . 1 1 9 9 GLU H H 1 8.388 0.05 . 1 . . . . 9 E HN . 15682 1 60 . 1 1 9 9 GLU HA H 1 4.353 0.05 . 1 . . . . 9 E HA . 15682 1 61 . 1 1 9 9 GLU HB2 H 1 2.072 0.05 . 2 . . . . 9 E HB1 . 15682 1 62 . 1 1 9 9 GLU HB3 H 1 1.933 0.05 . 2 . . . . 9 E HB2 . 15682 1 63 . 1 1 9 9 GLU HG2 H 1 2.235 0.05 . 2 . . . . 9 E HG1 . 15682 1 64 . 1 1 9 9 GLU HG3 H 1 2.235 0.05 . 2 . . . . 9 E HG2 . 15682 1 65 . 1 1 9 9 GLU C C 13 176.251 0.5 . 1 . . . . 9 E C . 15682 1 66 . 1 1 9 9 GLU CA C 13 56.539 0.5 . 1 . . . . 9 E CA . 15682 1 67 . 1 1 9 9 GLU CB C 13 30.423 0.5 . 1 . . . . 9 E CB . 15682 1 68 . 1 1 9 9 GLU CG C 13 36.300 0.5 . 1 . . . . 9 E CG . 15682 1 69 . 1 1 9 9 GLU N N 15 122.700 0.5 . 1 . . . . 9 E N . 15682 1 70 . 1 1 10 10 THR H H 1 8.227 0.05 . 1 . . . . 10 T HN . 15682 1 71 . 1 1 10 10 THR HA H 1 4.537 0.05 . 1 . . . . 10 T HA . 15682 1 72 . 1 1 10 10 THR HB H 1 4.073 0.05 . 1 . . . . 10 T HB . 15682 1 73 . 1 1 10 10 THR HG21 H 1 1.194 0.05 . 1 . . . . 10 T HG21 . 15682 1 74 . 1 1 10 10 THR HG22 H 1 1.194 0.05 . 1 . . . . 10 T HG21 . 15682 1 75 . 1 1 10 10 THR HG23 H 1 1.194 0.05 . 1 . . . . 10 T HG21 . 15682 1 76 . 1 1 10 10 THR C C 13 172.596 0.5 . 1 . . . . 10 T C . 15682 1 77 . 1 1 10 10 THR CA C 13 59.722 0.5 . 1 . . . . 10 T CA . 15682 1 78 . 1 1 10 10 THR CB C 13 69.746 0.5 . 1 . . . . 10 T CB . 15682 1 79 . 1 1 10 10 THR CG2 C 13 21.495 0.5 . 1 . . . . 10 T CG2 . 15682 1 80 . 1 1 10 10 THR N N 15 118.125 0.5 . 1 . . . . 10 T N . 15682 1 81 . 1 1 11 11 PRO HA H 1 4.357 0.05 . 1 . . . . 11 P HA . 15682 1 82 . 1 1 11 11 PRO HB2 H 1 2.249 0.05 . 2 . . . . 11 P HB1 . 15682 1 83 . 1 1 11 11 PRO HB3 H 1 1.832 0.05 . 2 . . . . 11 P HB2 . 15682 1 84 . 1 1 11 11 PRO HD2 H 1 3.816 0.05 . 2 . . . . 11 P HD1 . 15682 1 85 . 1 1 11 11 PRO HD3 H 1 3.657 0.05 . 2 . . . . 11 P HD2 . 15682 1 86 . 1 1 11 11 PRO HG2 H 1 1.950 0.05 . 2 . . . . 11 P HG1 . 15682 1 87 . 1 1 11 11 PRO HG3 H 1 1.950 0.05 . 2 . . . . 11 P HG2 . 15682 1 88 . 1 1 11 11 PRO C C 13 176.474 0.5 . 1 . . . . 11 P C . 15682 1 89 . 1 1 11 11 PRO CA C 13 63.200 0.5 . 1 . . . . 11 P CA . 15682 1 90 . 1 1 11 11 PRO CB C 13 32.189 0.5 . 1 . . . . 11 P CB . 15682 1 91 . 1 1 11 11 PRO CD C 13 51.133 0.5 . 1 . . . . 11 P CD . 15682 1 92 . 1 1 11 11 PRO CG C 13 27.474 0.5 . 1 . . . . 11 P CG . 15682 1 93 . 1 1 12 12 ALA H H 1 8.523 0.05 . 1 . . . . 12 A HN . 15682 1 94 . 1 1 12 12 ALA HA H 1 4.375 0.05 . 1 . . . . 12 A HA . 15682 1 95 . 1 1 12 12 ALA HB1 H 1 1.421 0.05 . 1 . . . . 12 A HB1 . 15682 1 96 . 1 1 12 12 ALA HB2 H 1 1.421 0.05 . 1 . . . . 12 A HB1 . 15682 1 97 . 1 1 12 12 ALA HB3 H 1 1.421 0.05 . 1 . . . . 12 A HB1 . 15682 1 98 . 1 1 12 12 ALA C C 13 179.160 0.5 . 1 . . . . 12 A C . 15682 1 99 . 1 1 12 12 ALA CA C 13 52.435 0.5 . 1 . . . . 12 A CA . 15682 1 100 . 1 1 12 12 ALA CB C 13 18.708 0.5 . 1 . . . . 12 A CB . 15682 1 101 . 1 1 12 12 ALA N N 15 125.775 0.5 . 1 . . . . 12 A N . 15682 1 102 . 1 1 13 13 ALA H H 1 9.181 0.05 . 1 . . . . 13 A HN . 15682 1 103 . 1 1 13 13 ALA HA H 1 4.141 0.05 . 1 . . . . 13 A HA . 15682 1 104 . 1 1 13 13 ALA HB1 H 1 1.480 0.05 . 1 . . . . 13 A HB1 . 15682 1 105 . 1 1 13 13 ALA HB2 H 1 1.480 0.05 . 1 . . . . 13 A HB1 . 15682 1 106 . 1 1 13 13 ALA HB3 H 1 1.480 0.05 . 1 . . . . 13 A HB1 . 15682 1 107 . 1 1 13 13 ALA C C 13 179.592 0.5 . 1 . . . . 13 A C . 15682 1 108 . 1 1 13 13 ALA CA C 13 54.748 0.5 . 1 . . . . 13 A CA . 15682 1 109 . 1 1 13 13 ALA CB C 13 19.752 0.5 . 1 . . . . 13 A CB . 15682 1 110 . 1 1 13 13 ALA N N 15 125.710 0.5 . 1 . . . . 13 A N . 15682 1 111 . 1 1 14 14 CYS H H 1 9.151 0.05 . 1 . . . . 14 C HN . 15682 1 112 . 1 1 14 14 CYS HA H 1 4.338 0.05 . 1 . . . . 14 C HA . 15682 1 113 . 1 1 14 14 CYS HB2 H 1 3.249 0.05 . 2 . . . . 14 C HB1 . 15682 1 114 . 1 1 14 14 CYS HB3 H 1 2.949 0.05 . 2 . . . . 14 C HB2 . 15682 1 115 . 1 1 14 14 CYS C C 13 177.683 0.5 . 1 . . . . 14 C C . 15682 1 116 . 1 1 14 14 CYS CA C 13 54.823 0.5 . 1 . . . . 14 C CA . 15682 1 117 . 1 1 14 14 CYS CB C 13 38.332 0.5 . 1 . . . . 14 C CB . 15682 1 118 . 1 1 14 14 CYS N N 15 112.207 0.5 . 1 . . . . 14 C N . 15682 1 119 . 1 1 15 15 SER H H 1 7.980 0.05 . 1 . . . . 15 S HN . 15682 1 120 . 1 1 15 15 SER HA H 1 4.156 0.05 . 1 . . . . 15 S HA . 15682 1 121 . 1 1 15 15 SER HB2 H 1 3.973 0.05 . 2 . . . . 15 S HB1 . 15682 1 122 . 1 1 15 15 SER HB3 H 1 3.973 0.05 . 2 . . . . 15 S HB2 . 15682 1 123 . 1 1 15 15 SER C C 13 174.618 0.5 . 1 . . . . 15 S C . 15682 1 124 . 1 1 15 15 SER CA C 13 61.464 0.5 . 1 . . . . 15 S CA . 15682 1 125 . 1 1 15 15 SER CB C 13 63.031 0.5 . 1 . . . . 15 S CB . 15682 1 126 . 1 1 15 15 SER N N 15 118.235 0.5 . 1 . . . . 15 S N . 15682 1 127 . 1 1 16 16 SER H H 1 7.555 0.05 . 1 . . . . 16 S HN . 15682 1 128 . 1 1 16 16 SER HA H 1 4.463 0.05 . 1 . . . . 16 S HA . 15682 1 129 . 1 1 16 16 SER HB2 H 1 3.987 0.05 . 2 . . . . 16 S HB1 . 15682 1 130 . 1 1 16 16 SER HB3 H 1 3.753 0.05 . 2 . . . . 16 S HB2 . 15682 1 131 . 1 1 16 16 SER C C 13 173.491 0.5 . 1 . . . . 16 S C . 15682 1 132 . 1 1 16 16 SER CA C 13 57.882 0.5 . 1 . . . . 16 S CA . 15682 1 133 . 1 1 16 16 SER CB C 13 63.031 0.5 . 1 . . . . 16 S CB . 15682 1 134 . 1 1 16 16 SER N N 15 113.968 0.5 . 1 . . . . 16 S N . 15682 1 135 . 1 1 17 17 ASN H H 1 7.876 0.05 . 1 . . . . 17 N HN . 15682 1 136 . 1 1 17 17 ASN HA H 1 4.565 0.05 . 1 . . . . 17 N HA . 15682 1 137 . 1 1 17 17 ASN HB2 H 1 2.873 0.05 . 2 . . . . 17 N HB1 . 15682 1 138 . 1 1 17 17 ASN HB3 H 1 2.720 0.05 . 2 . . . . 17 N HB2 . 15682 1 139 . 1 1 17 17 ASN HD21 H 1 7.421 0.05 . 2 . . . . 17 N HD21 . 15682 1 140 . 1 1 17 17 ASN HD22 H 1 6.799 0.05 . 2 . . . . 17 N HD22 . 15682 1 141 . 1 1 17 17 ASN CA C 13 54.449 0.5 . 1 . . . . 17 N CA . 15682 1 142 . 1 1 17 17 ASN CB C 13 36.765 0.5 . 1 . . . . 17 N CB . 15682 1 143 . 1 1 17 17 ASN N N 15 114.988 0.5 . 1 . . . . 17 N N . 15682 1 144 . 1 1 17 17 ASN ND2 N 15 113.601 0.5 . 1 . . . . 17 N ND2 . 15682 1 145 . 1 1 18 18 PRO HA H 1 4.205 0.05 . 1 . . . . 18 P HA . 15682 1 146 . 1 1 18 18 PRO HB2 H 1 1.687 0.05 . 2 . . . . 18 P HB1 . 15682 1 147 . 1 1 18 18 PRO HB3 H 1 1.687 0.05 . 2 . . . . 18 P HB2 . 15682 1 148 . 1 1 18 18 PRO HD2 H 1 3.351 0.05 . 2 . . . . 18 P HD1 . 15682 1 149 . 1 1 18 18 PRO HD3 H 1 3.351 0.05 . 2 . . . . 18 P HD2 . 15682 1 150 . 1 1 18 18 PRO HG2 H 1 1.257 0.05 . 2 . . . . 18 P HG1 . 15682 1 151 . 1 1 18 18 PRO HG3 H 1 0.813 0.05 . 2 . . . . 18 P HG2 . 15682 1 152 . 1 1 18 18 PRO C C 13 178.727 0.5 . 1 . . . . 18 P C . 15682 1 153 . 1 1 18 18 PRO CA C 13 64.719 0.5 . 1 . . . . 18 P CA . 15682 1 154 . 1 1 18 18 PRO CB C 13 31.742 0.5 . 1 . . . . 18 P CB . 15682 1 155 . 1 1 18 18 PRO CD C 13 51.224 0.5 . 1 . . . . 18 P CD . 15682 1 156 . 1 1 18 18 PRO CG C 13 27.305 0.5 . 1 . . . . 18 P CG . 15682 1 157 . 1 1 19 19 CYS H H 1 8.017 0.05 . 1 . . . . 19 C HN . 15682 1 158 . 1 1 19 19 CYS HA H 1 4.514 0.05 . 1 . . . . 19 C HA . 15682 1 159 . 1 1 19 19 CYS HB2 H 1 2.869 0.05 . 2 . . . . 19 C HB1 . 15682 1 160 . 1 1 19 19 CYS HB3 H 1 2.650 0.05 . 2 . . . . 19 C HB2 . 15682 1 161 . 1 1 19 19 CYS C C 13 171.626 0.5 . 1 . . . . 19 C C . 15682 1 162 . 1 1 19 19 CYS CA C 13 56.315 0.5 . 1 . . . . 19 C CA . 15682 1 163 . 1 1 19 19 CYS CB C 13 38.407 0.5 . 1 . . . . 19 C CB . 15682 1 164 . 1 1 19 19 CYS N N 15 116.658 0.5 . 1 . . . . 19 C N . 15682 1 165 . 1 1 20 20 GLY H H 1 7.119 0.05 . 1 . . . . 20 G HN . 15682 1 166 . 1 1 20 20 GLY HA2 H 1 3.941 0.05 . 2 . . . . 20 G HA1 . 15682 1 167 . 1 1 20 20 GLY HA3 H 1 3.885 0.05 . 2 . . . . 20 G HA2 . 15682 1 168 . 1 1 20 20 GLY C C 13 171.955 0.5 . 1 . . . . 20 G C . 15682 1 169 . 1 1 20 20 GLY CA C 13 43.331 0.5 . 1 . . . . 20 G CA . 15682 1 170 . 1 1 20 20 GLY N N 15 103.819 0.5 . 1 . . . . 20 G N . 15682 1 171 . 1 1 21 21 PRO HA H 1 4.505 0.05 . 1 . . . . 21 P HA . 15682 1 172 . 1 1 21 21 PRO HB2 H 1 2.334 0.05 . 2 . . . . 21 P HB1 . 15682 1 173 . 1 1 21 21 PRO HB3 H 1 1.994 0.05 . 2 . . . . 21 P HB2 . 15682 1 174 . 1 1 21 21 PRO HD2 H 1 3.553 0.05 . 2 . . . . 21 P HD1 . 15682 1 175 . 1 1 21 21 PRO HD3 H 1 3.469 0.05 . 2 . . . . 21 P HD2 . 15682 1 176 . 1 1 21 21 PRO HG2 H 1 2.054 0.05 . 2 . . . . 21 P HG1 . 15682 1 177 . 1 1 21 21 PRO HG3 H 1 1.826 0.05 . 2 . . . . 21 P HG2 . 15682 1 178 . 1 1 21 21 PRO C C 13 176.281 0.5 . 1 . . . . 21 P C . 15682 1 179 . 1 1 21 21 PRO CA C 13 62.434 0.5 . 1 . . . . 21 P CA . 15682 1 180 . 1 1 21 21 PRO CB C 13 32.213 0.5 . 1 . . . . 21 P CB . 15682 1 181 . 1 1 21 21 PRO CD C 13 49.169 0.5 . 1 . . . . 21 P CD . 15682 1 182 . 1 1 21 21 PRO CG C 13 27.541 0.5 . 1 . . . . 21 P CG . 15682 1 183 . 1 1 22 22 GLU H H 1 8.608 0.05 . 1 . . . . 22 E HN . 15682 1 184 . 1 1 22 22 GLU HA H 1 3.929 0.05 . 1 . . . . 22 E HA . 15682 1 185 . 1 1 22 22 GLU HB2 H 1 1.959 0.05 . 2 . . . . 22 E HB1 . 15682 1 186 . 1 1 22 22 GLU HB3 H 1 1.883 0.05 . 2 . . . . 22 E HB2 . 15682 1 187 . 1 1 22 22 GLU HG2 H 1 2.264 0.05 . 2 . . . . 22 E HG1 . 15682 1 188 . 1 1 22 22 GLU HG3 H 1 2.201 0.05 . 2 . . . . 22 E HG2 . 15682 1 189 . 1 1 22 22 GLU C C 13 177.847 0.5 . 1 . . . . 22 E C . 15682 1 190 . 1 1 22 22 GLU CA C 13 59.893 0.5 . 1 . . . . 22 E CA . 15682 1 191 . 1 1 22 22 GLU CB C 13 29.494 0.5 . 1 . . . . 22 E CB . 15682 1 192 . 1 1 22 22 GLU CG C 13 36.567 0.5 . 1 . . . . 22 E CG . 15682 1 193 . 1 1 22 22 GLU N N 15 121.373 0.5 . 1 . . . . 22 E N . 15682 1 194 . 1 1 23 23 ALA H H 1 8.065 0.05 . 1 . . . . 23 A HN . 15682 1 195 . 1 1 23 23 ALA HA H 1 3.850 0.05 . 1 . . . . 23 A HA . 15682 1 196 . 1 1 23 23 ALA HB1 H 1 1.266 0.05 . 1 . . . . 23 A HB1 . 15682 1 197 . 1 1 23 23 ALA HB2 H 1 1.266 0.05 . 1 . . . . 23 A HB1 . 15682 1 198 . 1 1 23 23 ALA HB3 H 1 1.266 0.05 . 1 . . . . 23 A HB1 . 15682 1 199 . 1 1 23 23 ALA C C 13 179.055 0.5 . 1 . . . . 23 A C . 15682 1 200 . 1 1 23 23 ALA CA C 13 54.080 0.5 . 1 . . . . 23 A CA . 15682 1 201 . 1 1 23 23 ALA CB C 13 18.801 0.5 . 1 . . . . 23 A CB . 15682 1 202 . 1 1 23 23 ALA N N 15 116.380 0.5 . 1 . . . . 23 A N . 15682 1 203 . 1 1 24 24 ALA H H 1 7.528 0.05 . 1 . . . . 24 A HN . 15682 1 204 . 1 1 24 24 ALA HA H 1 2.042 0.05 . 1 . . . . 24 A HA . 15682 1 205 . 1 1 24 24 ALA HB1 H 1 0.863 0.05 . 1 . . . . 24 A HB1 . 15682 1 206 . 1 1 24 24 ALA HB2 H 1 0.863 0.05 . 1 . . . . 24 A HB1 . 15682 1 207 . 1 1 24 24 ALA HB3 H 1 0.863 0.05 . 1 . . . . 24 A HB1 . 15682 1 208 . 1 1 24 24 ALA C C 13 177.802 0.5 . 1 . . . . 24 A C . 15682 1 209 . 1 1 24 24 ALA CA C 13 52.565 0.5 . 1 . . . . 24 A CA . 15682 1 210 . 1 1 24 24 ALA CB C 13 21.074 0.5 . 1 . . . . 24 A CB . 15682 1 211 . 1 1 24 24 ALA N N 15 119.658 0.5 . 1 . . . . 24 A N . 15682 1 212 . 1 1 25 25 GLY H H 1 6.913 0.05 . 1 . . . . 25 G HN . 15682 1 213 . 1 1 25 25 GLY HA2 H 1 4.220 0.05 . 2 . . . . 25 G HA1 . 15682 1 214 . 1 1 25 25 GLY HA3 H 1 3.860 0.05 . 2 . . . . 25 G HA2 . 15682 1 215 . 1 1 25 25 GLY C C 13 171.134 0.5 . 1 . . . . 25 G C . 15682 1 216 . 1 1 25 25 GLY CA C 13 46.242 0.5 . 1 . . . . 25 G CA . 15682 1 217 . 1 1 25 25 GLY N N 15 101.893 0.5 . 1 . . . . 25 G N . 15682 1 218 . 1 1 26 26 THR H H 1 8.235 0.05 . 1 . . . . 26 T HN . 15682 1 219 . 1 1 26 26 THR HA H 1 4.461 0.05 . 1 . . . . 26 T HA . 15682 1 220 . 1 1 26 26 THR HB H 1 3.929 0.05 . 1 . . . . 26 T HB . 15682 1 221 . 1 1 26 26 THR HG21 H 1 1.160 0.05 . 1 . . . . 26 T HG21 . 15682 1 222 . 1 1 26 26 THR HG22 H 1 1.160 0.05 . 1 . . . . 26 T HG21 . 15682 1 223 . 1 1 26 26 THR HG23 H 1 1.160 0.05 . 1 . . . . 26 T HG21 . 15682 1 224 . 1 1 26 26 THR C C 13 171.895 0.5 . 1 . . . . 26 T C . 15682 1 225 . 1 1 26 26 THR CA C 13 60.717 0.5 . 1 . . . . 26 T CA . 15682 1 226 . 1 1 26 26 THR CB C 13 71.612 0.5 . 1 . . . . 26 T CB . 15682 1 227 . 1 1 26 26 THR N N 15 112.173 0.5 . 1 . . . . 26 T N . 15682 1 228 . 1 1 27 27 CYS H H 1 8.809 0.05 . 1 . . . . 27 C HN . 15682 1 229 . 1 1 27 27 CYS HA H 1 5.280 0.05 . 1 . . . . 27 C HA . 15682 1 230 . 1 1 27 27 CYS HB2 H 1 2.998 0.05 . 2 . . . . 27 C HB1 . 15682 1 231 . 1 1 27 27 CYS HB3 H 1 2.873 0.05 . 2 . . . . 27 C HB2 . 15682 1 232 . 1 1 27 27 CYS C C 13 173.372 0.5 . 1 . . . . 27 C C . 15682 1 233 . 1 1 27 27 CYS CA C 13 56.016 0.5 . 1 . . . . 27 C CA . 15682 1 234 . 1 1 27 27 CYS CB C 13 40.272 0.5 . 1 . . . . 27 C CB . 15682 1 235 . 1 1 27 27 CYS N N 15 126.137 0.5 . 1 . . . . 27 C N . 15682 1 236 . 1 1 28 28 LYS H H 1 9.047 0.05 . 1 . . . . 28 K HN . 15682 1 237 . 1 1 28 28 LYS HA H 1 4.697 0.05 . 1 . . . . 28 K HA . 15682 1 238 . 1 1 28 28 LYS HB2 H 1 1.706 0.05 . 2 . . . . 28 K HB1 . 15682 1 239 . 1 1 28 28 LYS HB3 H 1 1.589 0.05 . 2 . . . . 28 K HB2 . 15682 1 240 . 1 1 28 28 LYS HD2 H 1 1.617 0.05 . 2 . . . . 28 K HD1 . 15682 1 241 . 1 1 28 28 LYS HD3 H 1 1.617 0.05 . 2 . . . . 28 K HD2 . 15682 1 242 . 1 1 28 28 LYS HE2 H 1 2.908 0.05 . 2 . . . . 28 K HE1 . 15682 1 243 . 1 1 28 28 LYS HE3 H 1 2.908 0.05 . 2 . . . . 28 K HE2 . 15682 1 244 . 1 1 28 28 LYS HG2 H 1 1.368 0.05 . 2 . . . . 28 K HG1 . 15682 1 245 . 1 1 28 28 LYS HG3 H 1 1.368 0.05 . 2 . . . . 28 K HG2 . 15682 1 246 . 1 1 28 28 LYS C C 13 174.655 0.5 . 1 . . . . 28 K C . 15682 1 247 . 1 1 28 28 LYS CA C 13 55.425 0.5 . 1 . . . . 28 K CA . 15682 1 248 . 1 1 28 28 LYS CB C 13 35.495 0.5 . 1 . . . . 28 K CB . 15682 1 249 . 1 1 28 28 LYS CD C 13 29.507 0.5 . 1 . . . . 28 K CD . 15682 1 250 . 1 1 28 28 LYS CE C 13 42.198 0.5 . 1 . . . . 28 K CE . 15682 1 251 . 1 1 28 28 LYS CG C 13 24.860 0.5 . 1 . . . . 28 K CG . 15682 1 252 . 1 1 28 28 LYS N N 15 130.287 0.5 . 1 . . . . 28 K N . 15682 1 253 . 1 1 29 29 GLU H H 1 8.821 0.05 . 1 . . . . 29 E HN . 15682 1 254 . 1 1 29 29 GLU HA H 1 4.493 0.05 . 1 . . . . 29 E HA . 15682 1 255 . 1 1 29 29 GLU HB2 H 1 2.098 0.05 . 2 . . . . 29 E HB1 . 15682 1 256 . 1 1 29 29 GLU HB3 H 1 2.008 0.05 . 2 . . . . 29 E HB2 . 15682 1 257 . 1 1 29 29 GLU HG2 H 1 2.447 0.05 . 2 . . . . 29 E HG1 . 15682 1 258 . 1 1 29 29 GLU HG3 H 1 2.398 0.05 . 2 . . . . 29 E HG2 . 15682 1 259 . 1 1 29 29 GLU C C 13 176.713 0.5 . 1 . . . . 29 E C . 15682 1 260 . 1 1 29 29 GLU CA C 13 57.838 0.5 . 1 . . . . 29 E CA . 15682 1 261 . 1 1 29 29 GLU CB C 13 29.954 0.5 . 1 . . . . 29 E CB . 15682 1 262 . 1 1 29 29 GLU CG C 13 37.283 0.5 . 1 . . . . 29 E CG . 15682 1 263 . 1 1 29 29 GLU N N 15 125.609 0.5 . 1 . . . . 29 E N . 15682 1 264 . 1 1 30 30 THR H H 1 8.295 0.05 . 1 . . . . 30 T HN . 15682 1 265 . 1 1 30 30 THR HA H 1 4.752 0.05 . 1 . . . . 30 T HA . 15682 1 266 . 1 1 30 30 THR HB H 1 4.420 0.05 . 1 . . . . 30 T HB . 15682 1 267 . 1 1 30 30 THR HG21 H 1 1.014 0.05 . 1 . . . . 30 T HG21 . 15682 1 268 . 1 1 30 30 THR HG22 H 1 1.014 0.05 . 1 . . . . 30 T HG21 . 15682 1 269 . 1 1 30 30 THR HG23 H 1 1.014 0.05 . 1 . . . . 30 T HG21 . 15682 1 270 . 1 1 30 30 THR C C 13 174.744 0.5 . 1 . . . . 30 T C . 15682 1 271 . 1 1 30 30 THR CA C 13 59.638 0.5 . 1 . . . . 30 T CA . 15682 1 272 . 1 1 30 30 THR CB C 13 71.257 0.5 . 1 . . . . 30 T CB . 15682 1 273 . 1 1 30 30 THR CG2 C 13 21.664 0.5 . 1 . . . . 30 T CG2 . 15682 1 274 . 1 1 30 30 THR N N 15 115.233 0.5 . 1 . . . . 30 T N . 15682 1 275 . 1 1 32 32 SER HA H 1 4.623 0.05 . 1 . . . . 32 S HA . 15682 1 276 . 1 1 32 32 SER HB2 H 1 3.922 0.05 . 2 . . . . 32 S HB1 . 15682 1 277 . 1 1 32 32 SER HB3 H 1 3.753 0.05 . 2 . . . . 32 S HB2 . 15682 1 278 . 1 1 32 32 SER C C 13 173.640 0.5 . 1 . . . . 32 S C . 15682 1 279 . 1 1 32 32 SER CA C 13 57.659 0.5 . 1 . . . . 32 S CA . 15682 1 280 . 1 1 32 32 SER CB C 13 64.094 0.5 . 1 . . . . 32 S CB . 15682 1 281 . 1 1 33 33 GLY H H 1 7.419 0.05 . 1 . . . . 33 G HN . 15682 1 282 . 1 1 33 33 GLY HA2 H 1 4.265 0.05 . 2 . . . . 33 G HA1 . 15682 1 283 . 1 1 33 33 GLY HA3 H 1 3.827 0.05 . 2 . . . . 33 G HA2 . 15682 1 284 . 1 1 33 33 GLY C C 13 171.820 0.5 . 1 . . . . 33 G C . 15682 1 285 . 1 1 33 33 GLY CA C 13 46.220 0.5 . 1 . . . . 33 G CA . 15682 1 286 . 1 1 33 33 GLY N N 15 112.123 0.5 . 1 . . . . 33 G N . 15682 1 287 . 1 1 34 34 TYR H H 1 7.993 0.05 . 1 . . . . 34 Y HN . 15682 1 288 . 1 1 34 34 TYR HA H 1 5.448 0.05 . 1 . . . . 34 Y HA . 15682 1 289 . 1 1 34 34 TYR HB2 H 1 3.069 0.05 . 2 . . . . 34 Y HB1 . 15682 1 290 . 1 1 34 34 TYR HB3 H 1 2.618 0.05 . 2 . . . . 34 Y HB2 . 15682 1 291 . 1 1 34 34 TYR HD1 H 1 6.683 0.05 . 3 . . . . 34 Y HD1 . 15682 1 292 . 1 1 34 34 TYR HD2 H 1 6.683 0.05 . 3 . . . . 34 Y HD2 . 15682 1 293 . 1 1 34 34 TYR HE1 H 1 6.664 0.05 . 3 . . . . 34 Y HE1 . 15682 1 294 . 1 1 34 34 TYR HE2 H 1 6.664 0.05 . 3 . . . . 34 Y HE2 . 15682 1 295 . 1 1 34 34 TYR C C 13 173.446 0.5 . 1 . . . . 34 Y C . 15682 1 296 . 1 1 34 34 TYR CA C 13 56.587 0.5 . 1 . . . . 34 Y CA . 15682 1 297 . 1 1 34 34 TYR CB C 13 40.945 0.5 . 1 . . . . 34 Y CB . 15682 1 298 . 1 1 34 34 TYR CD1 C 13 132.835 0.5 . 3 . . . . 34 Y CD1 . 15682 1 299 . 1 1 34 34 TYR CD2 C 13 132.835 0.5 . 3 . . . . 34 Y CD2 . 15682 1 300 . 1 1 34 34 TYR CE1 C 13 117.526 0.5 . 3 . . . . 34 Y CE1 . 15682 1 301 . 1 1 34 34 TYR CE2 C 13 117.526 0.5 . 3 . . . . 34 Y CE2 . 15682 1 302 . 1 1 34 34 TYR N N 15 122.353 0.5 . 1 . . . . 34 Y N . 15682 1 303 . 1 1 35 35 ILE H H 1 9.118 0.05 . 1 . . . . 35 I HN . 15682 1 304 . 1 1 35 35 ILE HA H 1 4.343 0.05 . 1 . . . . 35 I HA . 15682 1 305 . 1 1 35 35 ILE HB H 1 1.777 0.05 . 1 . . . . 35 I HB . 15682 1 306 . 1 1 35 35 ILE HD11 H 1 0.757 0.05 . 1 . . . . 35 I HD11 . 15682 1 307 . 1 1 35 35 ILE HD12 H 1 0.757 0.05 . 1 . . . . 35 I HD11 . 15682 1 308 . 1 1 35 35 ILE HD13 H 1 0.757 0.05 . 1 . . . . 35 I HD11 . 15682 1 309 . 1 1 35 35 ILE HG12 H 1 1.305 0.05 . 1 . . . . 35 I HG11 . 15682 1 310 . 1 1 35 35 ILE HG13 H 1 0.993 0.05 . 1 . . . . 35 I HG12 . 15682 1 311 . 1 1 35 35 ILE HG21 H 1 0.757 0.05 . 2 . . . . 35 I HG21 . 15682 1 312 . 1 1 35 35 ILE HG22 H 1 0.757 0.05 . 2 . . . . 35 I HG21 . 15682 1 313 . 1 1 35 35 ILE HG23 H 1 0.757 0.05 . 2 . . . . 35 I HG21 . 15682 1 314 . 1 1 35 35 ILE C C 13 174.968 0.5 . 1 . . . . 35 I C . 15682 1 315 . 1 1 35 35 ILE CA C 13 59.300 0.5 . 1 . . . . 35 I CA . 15682 1 316 . 1 1 35 35 ILE CB C 13 42.511 0.5 . 1 . . . . 35 I CB . 15682 1 317 . 1 1 35 35 ILE CD1 C 13 14.002 0.5 . 1 . . . . 35 I CD1 . 15682 1 318 . 1 1 35 35 ILE CG1 C 13 26.968 0.5 . 2 . . . . 35 I CG1 . 15682 1 319 . 1 1 35 35 ILE CG2 C 13 18.380 0.5 . 1 . . . . 35 I CG2 . 15682 1 320 . 1 1 35 35 ILE N N 15 116.738 0.5 . 1 . . . . 35 I N . 15682 1 321 . 1 1 36 36 CYS H H 1 8.279 0.05 . 1 . . . . 36 C HN . 15682 1 322 . 1 1 36 36 CYS HA H 1 5.559 0.05 . 1 . . . . 36 C HA . 15682 1 323 . 1 1 36 36 CYS HB2 H 1 2.805 0.05 . 2 . . . . 36 C HB1 . 15682 1 324 . 1 1 36 36 CYS HB3 H 1 2.292 0.05 . 2 . . . . 36 C HB2 . 15682 1 325 . 1 1 36 36 CYS C C 13 173.998 0.5 . 1 . . . . 36 C C . 15682 1 326 . 1 1 36 36 CYS CA C 13 52.733 0.5 . 1 . . . . 36 C CA . 15682 1 327 . 1 1 36 36 CYS CB C 13 42.361 0.5 . 1 . . . . 36 C CB . 15682 1 328 . 1 1 36 36 CYS N N 15 118.142 0.5 . 1 . . . . 36 C N . 15682 1 329 . 1 1 37 37 ARG H H 1 8.740 0.05 . 1 . . . . 37 R HN . 15682 1 330 . 1 1 37 37 ARG HA H 1 4.536 0.05 . 1 . . . . 37 R HA . 15682 1 331 . 1 1 37 37 ARG HB2 H 1 1.750 0.05 . 2 . . . . 37 R HB1 . 15682 1 332 . 1 1 37 37 ARG HB3 H 1 1.626 0.05 . 2 . . . . 37 R HB2 . 15682 1 333 . 1 1 37 37 ARG HD2 H 1 3.102 0.05 . 2 . . . . 37 R HD1 . 15682 1 334 . 1 1 37 37 ARG HD3 H 1 3.102 0.05 . 2 . . . . 37 R HD2 . 15682 1 335 . 1 1 37 37 ARG HG2 H 1 1.520 0.05 . 2 . . . . 37 R HG1 . 15682 1 336 . 1 1 37 37 ARG HG3 H 1 1.430 0.05 . 2 . . . . 37 R HG2 . 15682 1 337 . 1 1 37 37 ARG C C 13 176.027 0.5 . 1 . . . . 37 R C . 15682 1 338 . 1 1 37 37 ARG CA C 13 54.670 0.5 . 1 . . . . 37 R CA . 15682 1 339 . 1 1 37 37 ARG CB C 13 30.084 0.5 . 1 . . . . 37 R CB . 15682 1 340 . 1 1 37 37 ARG CD C 13 43.303 0.5 . 1 . . . . 37 R CD . 15682 1 341 . 1 1 37 37 ARG CG C 13 26.800 0.5 . 1 . . . . 37 R CG . 15682 1 342 . 1 1 37 37 ARG N N 15 123.785 0.5 . 1 . . . . 37 R N . 15682 1 343 . 1 1 38 38 CYS H H 1 8.895 0.05 . 1 . . . . 38 C HN . 15682 1 344 . 1 1 38 38 CYS HA H 1 5.223 0.05 . 1 . . . . 38 C HA . 15682 1 345 . 1 1 38 38 CYS HB2 H 1 3.169 0.05 . 2 . . . . 38 C HB1 . 15682 1 346 . 1 1 38 38 CYS HB3 H 1 2.591 0.05 . 2 . . . . 38 C HB2 . 15682 1 347 . 1 1 38 38 CYS C C 13 175.266 0.5 . 1 . . . . 38 C C . 15682 1 348 . 1 1 38 38 CYS CA C 13 53.330 0.5 . 1 . . . . 38 C CA . 15682 1 349 . 1 1 38 38 CYS CB C 13 36.317 0.5 . 1 . . . . 38 C CB . 15682 1 350 . 1 1 38 38 CYS N N 15 124.691 0.5 . 1 . . . . 38 C N . 15682 1 351 . 1 1 39 39 ASN H H 1 8.541 0.05 . 1 . . . . 39 N HN . 15682 1 352 . 1 1 39 39 ASN HA H 1 4.850 0.05 . 1 . . . . 39 N HA . 15682 1 353 . 1 1 39 39 ASN HB2 H 1 2.998 0.05 . 2 . . . . 39 N HB1 . 15682 1 354 . 1 1 39 39 ASN HB3 H 1 2.477 0.05 . 2 . . . . 39 N HB2 . 15682 1 355 . 1 1 39 39 ASN HD21 H 1 6.921 0.05 . 2 . . . . 39 N HD21 . 15682 1 356 . 1 1 39 39 ASN HD22 H 1 6.761 0.05 . 2 . . . . 39 N HD22 . 15682 1 357 . 1 1 39 39 ASN C C 13 174.744 0.5 . 1 . . . . 39 N C . 15682 1 358 . 1 1 39 39 ASN CA C 13 52.659 0.5 . 1 . . . . 39 N CA . 15682 1 359 . 1 1 39 39 ASN CB C 13 39.228 0.5 . 1 . . . . 39 N CB . 15682 1 360 . 1 1 39 39 ASN N N 15 122.848 0.5 . 1 . . . . 39 N N . 15682 1 361 . 1 1 39 39 ASN ND2 N 15 112.907 0.5 . 1 . . . . 39 N ND2 . 15682 1 362 . 1 1 40 40 GLN H H 1 8.569 0.05 . 1 . . . . 40 Q HN . 15682 1 363 . 1 1 40 40 GLN HA H 1 4.213 0.05 . 1 . . . . 40 Q HA . 15682 1 364 . 1 1 40 40 GLN HB2 H 1 2.098 0.05 . 2 . . . . 40 Q HB1 . 15682 1 365 . 1 1 40 40 GLN HB3 H 1 2.042 0.05 . 2 . . . . 40 Q HB2 . 15682 1 366 . 1 1 40 40 GLN HG2 H 1 2.431 0.05 . 2 . . . . 40 Q HG1 . 15682 1 367 . 1 1 40 40 GLN HG3 H 1 2.431 0.05 . 2 . . . . 40 Q HG2 . 15682 1 368 . 1 1 40 40 GLN C C 13 177.146 0.5 . 1 . . . . 40 Q C . 15682 1 369 . 1 1 40 40 GLN CA C 13 58.290 0.5 . 1 . . . . 40 Q CA . 15682 1 370 . 1 1 40 40 GLN CB C 13 28.484 0.5 . 1 . . . . 40 Q CB . 15682 1 371 . 1 1 40 40 GLN CG C 13 33.704 0.5 . 1 . . . . 40 Q CG . 15682 1 372 . 1 1 40 40 GLN N N 15 118.756 0.5 . 1 . . . . 40 Q N . 15682 1 373 . 1 1 41 41 GLY HA2 H 1 4.265 0.05 . 2 . . . . 41 G HA1 . 15682 1 374 . 1 1 41 41 GLY HA3 H 1 3.644 0.05 . 2 . . . . 41 G HA2 . 15682 1 375 . 1 1 41 41 GLY C C 13 173.297 0.5 . 1 . . . . 41 G C . 15682 1 376 . 1 1 41 41 GLY CA C 13 45.048 0.5 . 1 . . . . 41 G CA . 15682 1 377 . 1 1 42 42 TYR H H 1 8.550 0.05 . 1 . . . . 42 Y HN . 15682 1 378 . 1 1 42 42 TYR HA H 1 5.171 0.05 . 1 . . . . 42 Y HA . 15682 1 379 . 1 1 42 42 TYR HB2 H 1 3.353 0.05 . 2 . . . . 42 Y HB1 . 15682 1 380 . 1 1 42 42 TYR HB3 H 1 2.611 0.05 . 2 . . . . 42 Y HB2 . 15682 1 381 . 1 1 42 42 TYR HD1 H 1 6.604 0.05 . 3 . . . . 42 Y HD1 . 15682 1 382 . 1 1 42 42 TYR HD2 H 1 6.604 0.05 . 3 . . . . 42 Y HD2 . 15682 1 383 . 1 1 42 42 TYR HE1 H 1 6.632 0.05 . 3 . . . . 42 Y HE1 . 15682 1 384 . 1 1 42 42 TYR HE2 H 1 6.632 0.05 . 3 . . . . 42 Y HE2 . 15682 1 385 . 1 1 42 42 TYR C C 13 174.520 0.5 . 1 . . . . 42 Y C . 15682 1 386 . 1 1 42 42 TYR CA C 13 56.943 0.5 . 1 . . . . 42 Y CA . 15682 1 387 . 1 1 42 42 TYR CB C 13 42.124 0.5 . 1 . . . . 42 Y CB . 15682 1 388 . 1 1 42 42 TYR CD1 C 13 132.288 0.5 . 3 . . . . 42 Y CD1 . 15682 1 389 . 1 1 42 42 TYR CD2 C 13 132.288 0.5 . 3 . . . . 42 Y CD2 . 15682 1 390 . 1 1 42 42 TYR CE1 C 13 117.525 0.5 . 3 . . . . 42 Y CE1 . 15682 1 391 . 1 1 42 42 TYR CE2 C 13 117.525 0.5 . 3 . . . . 42 Y CE2 . 15682 1 392 . 1 1 42 42 TYR N N 15 120.333 0.5 . 1 . . . . 42 Y N . 15682 1 393 . 1 1 43 43 ARG H H 1 9.712 0.05 . 1 . . . . 43 R HN . 15682 1 394 . 1 1 43 43 ARG HA H 1 4.838 0.05 . 1 . . . . 43 R HA . 15682 1 395 . 1 1 43 43 ARG HB2 H 1 1.827 0.05 . 2 . . . . 43 R HB1 . 15682 1 396 . 1 1 43 43 ARG HB3 H 1 1.668 0.05 . 2 . . . . 43 R HB2 . 15682 1 397 . 1 1 43 43 ARG HD2 H 1 3.118 0.05 . 2 . . . . 43 R HD1 . 15682 1 398 . 1 1 43 43 ARG HD3 H 1 3.118 0.05 . 2 . . . . 43 R HD2 . 15682 1 399 . 1 1 43 43 ARG HG2 H 1 1.432 0.05 . 2 . . . . 43 R HG1 . 15682 1 400 . 1 1 43 43 ARG HG3 H 1 1.432 0.05 . 2 . . . . 43 R HG2 . 15682 1 401 . 1 1 43 43 ARG C C 13 174.371 0.5 . 1 . . . . 43 R C . 15682 1 402 . 1 1 43 43 ARG CA C 13 53.912 0.5 . 1 . . . . 43 R CA . 15682 1 403 . 1 1 43 43 ARG CB C 13 33.957 0.5 . 1 . . . . 43 R CB . 15682 1 404 . 1 1 43 43 ARG CD C 13 43.892 0.5 . 1 . . . . 43 R CD . 15682 1 405 . 1 1 43 43 ARG CG C 13 26.042 0.5 . 1 . . . . 43 R CG . 15682 1 406 . 1 1 43 43 ARG N N 15 117.789 0.5 . 1 . . . . 43 R N . 15682 1 407 . 1 1 44 44 ILE H H 1 8.364 0.05 . 1 . . . . 44 I HN . 15682 1 408 . 1 1 44 44 ILE HA H 1 4.572 0.05 . 1 . . . . 44 I HA . 15682 1 409 . 1 1 44 44 ILE HB H 1 1.794 0.05 . 1 . . . . 44 I HB . 15682 1 410 . 1 1 44 44 ILE HD11 H 1 0.843 0.05 . 1 . . . . 44 I HD11 . 15682 1 411 . 1 1 44 44 ILE HD12 H 1 0.843 0.05 . 1 . . . . 44 I HD11 . 15682 1 412 . 1 1 44 44 ILE HD13 H 1 0.843 0.05 . 1 . . . . 44 I HD11 . 15682 1 413 . 1 1 44 44 ILE HG12 H 1 1.585 0.05 . 1 . . . . 44 I HG11 . 15682 1 414 . 1 1 44 44 ILE HG13 H 1 1.280 0.05 . 1 . . . . 44 I HG12 . 15682 1 415 . 1 1 44 44 ILE HG21 H 1 0.891 0.05 . 2 . . . . 44 I HG21 . 15682 1 416 . 1 1 44 44 ILE HG22 H 1 0.891 0.05 . 2 . . . . 44 I HG21 . 15682 1 417 . 1 1 44 44 ILE HG23 H 1 0.891 0.05 . 2 . . . . 44 I HG21 . 15682 1 418 . 1 1 44 44 ILE C C 13 176.564 0.5 . 1 . . . . 44 I C . 15682 1 419 . 1 1 44 44 ILE CA C 13 60.901 0.5 . 1 . . . . 44 I CA . 15682 1 420 . 1 1 44 44 ILE CB C 13 38.335 0.5 . 1 . . . . 44 I CB . 15682 1 421 . 1 1 44 44 ILE CD1 C 13 13.328 0.5 . 1 . . . . 44 I CD1 . 15682 1 422 . 1 1 44 44 ILE CG1 C 13 28.400 0.5 . 2 . . . . 44 I CG1 . 15682 1 423 . 1 1 44 44 ILE CG2 C 13 17.538 0.5 . 1 . . . . 44 I CG2 . 15682 1 424 . 1 1 44 44 ILE N N 15 123.483 0.5 . 1 . . . . 44 I N . 15682 1 425 . 1 1 45 45 SER H H 1 8.802 0.05 . 1 . . . . 45 S HN . 15682 1 426 . 1 1 45 45 SER HA H 1 4.541 0.05 . 1 . . . . 45 S HA . 15682 1 427 . 1 1 45 45 SER HB2 H 1 3.589 0.05 . 2 . . . . 45 S HB1 . 15682 1 428 . 1 1 45 45 SER HB3 H 1 3.382 0.05 . 2 . . . . 45 S HB2 . 15682 1 429 . 1 1 45 45 SER C C 13 172.820 0.5 . 1 . . . . 45 S C . 15682 1 430 . 1 1 45 45 SER CA C 13 56.522 0.5 . 1 . . . . 45 S CA . 15682 1 431 . 1 1 45 45 SER CB C 13 65.784 0.5 . 1 . . . . 45 S CB . 15682 1 432 . 1 1 45 45 SER N N 15 121.740 0.5 . 1 . . . . 45 S N . 15682 1 433 . 1 1 46 46 LEU H H 1 8.129 0.05 . 1 . . . . 46 L HN . 15682 1 434 . 1 1 46 46 LEU HA H 1 5.046 0.05 . 1 . . . . 46 L HA . 15682 1 435 . 1 1 46 46 LEU HB2 H 1 1.664 0.05 . 2 . . . . 46 L HB1 . 15682 1 436 . 1 1 46 46 LEU HB3 H 1 1.423 0.05 . 2 . . . . 46 L HB2 . 15682 1 437 . 1 1 46 46 LEU HD11 H 1 0.799 0.05 . 2 . . . . 46 L HD11 . 15682 1 438 . 1 1 46 46 LEU HD12 H 1 0.799 0.05 . 2 . . . . 46 L HD11 . 15682 1 439 . 1 1 46 46 LEU HD13 H 1 0.799 0.05 . 2 . . . . 46 L HD11 . 15682 1 440 . 1 1 46 46 LEU HD21 H 1 0.688 0.05 . 2 . . . . 46 L HD21 . 15682 1 441 . 1 1 46 46 LEU HD22 H 1 0.688 0.05 . 2 . . . . 46 L HD21 . 15682 1 442 . 1 1 46 46 LEU HD23 H 1 0.688 0.05 . 2 . . . . 46 L HD21 . 15682 1 443 . 1 1 46 46 LEU HG H 1 1.590 0.05 . 1 . . . . 46 L HG . 15682 1 444 . 1 1 46 46 LEU C C 13 177.787 0.5 . 1 . . . . 46 L C . 15682 1 445 . 1 1 46 46 LEU CA C 13 53.853 0.5 . 1 . . . . 46 L CA . 15682 1 446 . 1 1 46 46 LEU CB C 13 44.003 0.5 . 1 . . . . 46 L CB . 15682 1 447 . 1 1 46 46 LEU CD1 C 13 27.720 0.5 . 1 . . . . 46 L CD1 . 15682 1 448 . 1 1 46 46 LEU CD2 C 13 24.860 0.5 . 1 . . . . 46 L CD2 . 15682 1 449 . 1 1 46 46 LEU N N 15 123.127 0.5 . 1 . . . . 46 L N . 15682 1 450 . 1 1 47 47 ASP H H 1 8.814 0.05 . 1 . . . . 47 D HN . 15682 1 451 . 1 1 47 47 ASP HA H 1 4.657 0.05 . 1 . . . . 47 D HA . 15682 1 452 . 1 1 47 47 ASP HB2 H 1 3.208 0.05 . 2 . . . . 47 D HB1 . 15682 1 453 . 1 1 47 47 ASP HB3 H 1 2.590 0.05 . 2 . . . . 47 D HB2 . 15682 1 454 . 1 1 47 47 ASP C C 13 178.250 0.5 . 1 . . . . 47 D C . 15682 1 455 . 1 1 47 47 ASP CA C 13 52.312 0.5 . 1 . . . . 47 D CA . 15682 1 456 . 1 1 47 47 ASP CB C 13 41.282 0.5 . 1 . . . . 47 D CB . 15682 1 457 . 1 1 47 47 ASP N N 15 123.218 0.5 . 1 . . . . 47 D N . 15682 1 458 . 1 1 48 48 GLY H H 1 8.585 0.05 . 1 . . . . 48 G HN . 15682 1 459 . 1 1 48 48 GLY HA2 H 1 3.936 0.05 . 2 . . . . 48 G HA1 . 15682 1 460 . 1 1 48 48 GLY HA3 H 1 3.936 0.05 . 2 . . . . 48 G HA2 . 15682 1 461 . 1 1 48 48 GLY C C 13 175.341 0.5 . 1 . . . . 48 G C . 15682 1 462 . 1 1 48 48 GLY CA C 13 46.671 0.5 . 1 . . . . 48 G CA . 15682 1 463 . 1 1 48 48 GLY N N 15 105.747 0.5 . 1 . . . . 48 G N . 15682 1 464 . 1 1 49 49 THR H H 1 8.369 0.05 . 1 . . . . 49 T HN . 15682 1 465 . 1 1 49 49 THR HA H 1 4.498 0.05 . 1 . . . . 49 T HA . 15682 1 466 . 1 1 49 49 THR HB H 1 4.401 0.05 . 1 . . . . 49 T HB . 15682 1 467 . 1 1 49 49 THR HG21 H 1 1.141 0.05 . 1 . . . . 49 T HG21 . 15682 1 468 . 1 1 49 49 THR HG22 H 1 1.141 0.05 . 1 . . . . 49 T HG21 . 15682 1 469 . 1 1 49 49 THR HG23 H 1 1.141 0.05 . 1 . . . . 49 T HG21 . 15682 1 470 . 1 1 49 49 THR C C 13 174.908 0.5 . 1 . . . . 49 T C . 15682 1 471 . 1 1 49 49 THR CA C 13 61.237 0.5 . 1 . . . . 49 T CA . 15682 1 472 . 1 1 49 49 THR CB C 13 69.826 0.5 . 1 . . . . 49 T CB . 15682 1 473 . 1 1 49 49 THR CG2 C 13 22.001 0.5 . 1 . . . . 49 T CG2 . 15682 1 474 . 1 1 49 49 THR N N 15 111.189 0.5 . 1 . . . . 49 T N . 15682 1 475 . 1 1 50 50 GLY H H 1 8.061 0.05 . 1 . . . . 50 G HN . 15682 1 476 . 1 1 50 50 GLY HA2 H 1 4.241 0.05 . 2 . . . . 50 G HA1 . 15682 1 477 . 1 1 50 50 GLY HA3 H 1 3.555 0.05 . 2 . . . . 50 G HA2 . 15682 1 478 . 1 1 50 50 GLY C C 13 173.566 0.5 . 1 . . . . 50 G C . 15682 1 479 . 1 1 50 50 GLY CA C 13 45.661 0.5 . 1 . . . . 50 G CA . 15682 1 480 . 1 1 50 50 GLY N N 15 109.302 0.5 . 1 . . . . 50 G N . 15682 1 481 . 1 1 51 51 ASN H H 1 8.245 0.05 . 1 . . . . 51 N HN . 15682 1 482 . 1 1 51 51 ASN HA H 1 4.852 0.05 . 1 . . . . 51 N HA . 15682 1 483 . 1 1 51 51 ASN HB2 H 1 2.944 0.05 . 2 . . . . 51 N HB1 . 15682 1 484 . 1 1 51 51 ASN HB3 H 1 2.778 0.05 . 2 . . . . 51 N HB2 . 15682 1 485 . 1 1 51 51 ASN HD21 H 1 7.968 0.05 . 2 . . . . 51 N HD21 . 15682 1 486 . 1 1 51 51 ASN HD22 H 1 6.841 0.05 . 2 . . . . 51 N HD22 . 15682 1 487 . 1 1 51 51 ASN C C 13 174.595 0.5 . 1 . . . . 51 N C . 15682 1 488 . 1 1 51 51 ASN CA C 13 52.565 0.5 . 1 . . . . 51 N CA . 15682 1 489 . 1 1 51 51 ASN CB C 13 40.188 0.5 . 1 . . . . 51 N CB . 15682 1 490 . 1 1 51 51 ASN N N 15 120.228 0.5 . 1 . . . . 51 N N . 15682 1 491 . 1 1 51 51 ASN ND2 N 15 115.998 0.5 . 1 . . . . 51 N ND2 . 15682 1 492 . 1 1 52 52 VAL H H 1 8.073 0.05 . 1 . . . . 52 V HN . 15682 1 493 . 1 1 52 52 VAL HA H 1 4.595 0.05 . 1 . . . . 52 V HA . 15682 1 494 . 1 1 52 52 VAL HB H 1 1.862 0.05 . 1 . . . . 52 V HB . 15682 1 495 . 1 1 52 52 VAL HG11 H 1 0.884 0.05 . 2 . . . . 52 V HG11 . 15682 1 496 . 1 1 52 52 VAL HG12 H 1 0.884 0.05 . 2 . . . . 52 V HG11 . 15682 1 497 . 1 1 52 52 VAL HG13 H 1 0.884 0.05 . 2 . . . . 52 V HG11 . 15682 1 498 . 1 1 52 52 VAL HG21 H 1 0.884 0.05 . 2 . . . . 52 V HG21 . 15682 1 499 . 1 1 52 52 VAL HG22 H 1 0.884 0.05 . 2 . . . . 52 V HG21 . 15682 1 500 . 1 1 52 52 VAL HG23 H 1 0.884 0.05 . 2 . . . . 52 V HG21 . 15682 1 501 . 1 1 52 52 VAL C C 13 175.565 0.5 . 1 . . . . 52 V C . 15682 1 502 . 1 1 52 52 VAL CA C 13 62.332 0.5 . 1 . . . . 52 V CA . 15682 1 503 . 1 1 52 52 VAL CB C 13 33.367 0.5 . 1 . . . . 52 V CB . 15682 1 504 . 1 1 52 52 VAL CG1 C 13 22.169 0.5 . 1 . . . . 52 V CG1 . 15682 1 505 . 1 1 52 52 VAL CG2 C 13 21.327 0.5 . 1 . . . . 52 V CG2 . 15682 1 506 . 1 1 52 52 VAL N N 15 119.554 0.5 . 1 . . . . 52 V N . 15682 1 507 . 1 1 53 53 THR H H 1 8.625 0.05 . 1 . . . . 53 T HN . 15682 1 508 . 1 1 53 53 THR HA H 1 4.907 0.05 . 1 . . . . 53 T HA . 15682 1 509 . 1 1 53 53 THR HB H 1 4.130 0.05 . 1 . . . . 53 T HB . 15682 1 510 . 1 1 53 53 THR HG21 H 1 0.933 0.05 . 1 . . . . 53 T HG21 . 15682 1 511 . 1 1 53 53 THR HG22 H 1 0.933 0.05 . 1 . . . . 53 T HG21 . 15682 1 512 . 1 1 53 53 THR HG23 H 1 0.933 0.05 . 1 . . . . 53 T HG21 . 15682 1 513 . 1 1 53 53 THR C C 13 171.694 0.5 . 1 . . . . 53 T C . 15682 1 514 . 1 1 53 53 THR CA C 13 60.985 0.5 . 1 . . . . 53 T CA . 15682 1 515 . 1 1 53 53 THR CB C 13 70.078 0.5 . 1 . . . . 53 T CB . 15682 1 516 . 1 1 53 53 THR CG2 C 13 17.791 0.5 . 1 . . . . 53 T CG2 . 15682 1 517 . 1 1 53 53 THR N N 15 118.823 0.5 . 1 . . . . 53 T N . 15682 1 518 . 1 1 54 54 CYS H H 1 7.664 0.05 . 1 . . . . 54 C HN . 15682 1 519 . 1 1 54 54 CYS HA H 1 5.434 0.05 . 1 . . . . 54 C HA . 15682 1 520 . 1 1 54 54 CYS HB2 H 1 3.216 0.05 . 2 . . . . 54 C HB1 . 15682 1 521 . 1 1 54 54 CYS HB3 H 1 2.587 0.05 . 2 . . . . 54 C HB2 . 15682 1 522 . 1 1 54 54 CYS C C 13 173.954 0.5 . 1 . . . . 54 C C . 15682 1 523 . 1 1 54 54 CYS CA C 13 54.300 0.5 . 1 . . . . 54 C CA . 15682 1 524 . 1 1 54 54 CYS CB C 13 42.138 0.5 . 1 . . . . 54 C CB . 15682 1 525 . 1 1 54 54 CYS N N 15 118.858 0.5 . 1 . . . . 54 C N . 15682 1 526 . 1 1 55 55 ILE H H 1 9.171 0.05 . 1 . . . . 55 I HN . 15682 1 527 . 1 1 55 55 ILE HA H 1 4.933 0.05 . 1 . . . . 55 I HA . 15682 1 528 . 1 1 55 55 ILE HB H 1 1.936 0.05 . 1 . . . . 55 I HB . 15682 1 529 . 1 1 55 55 ILE HD11 H 1 0.813 0.05 . 1 . . . . 55 I HD11 . 15682 1 530 . 1 1 55 55 ILE HD12 H 1 0.813 0.05 . 1 . . . . 55 I HD11 . 15682 1 531 . 1 1 55 55 ILE HD13 H 1 0.813 0.05 . 1 . . . . 55 I HD11 . 15682 1 532 . 1 1 55 55 ILE HG12 H 1 1.347 0.05 . 1 . . . . 55 I HG11 . 15682 1 533 . 1 1 55 55 ILE HG13 H 1 1.021 0.05 . 1 . . . . 55 I HG12 . 15682 1 534 . 1 1 55 55 ILE HG21 H 1 0.910 0.05 . 2 . . . . 55 I HG21 . 15682 1 535 . 1 1 55 55 ILE HG22 H 1 0.910 0.05 . 2 . . . . 55 I HG21 . 15682 1 536 . 1 1 55 55 ILE HG23 H 1 0.910 0.05 . 2 . . . . 55 I HG21 . 15682 1 537 . 1 1 55 55 ILE C C 13 175.520 0.5 . 1 . . . . 55 I C . 15682 1 538 . 1 1 55 55 ILE CA C 13 59.000 0.5 . 1 . . . . 55 I CA . 15682 1 539 . 1 1 55 55 ILE CB C 13 41.751 0.5 . 1 . . . . 55 I CB . 15682 1 540 . 1 1 55 55 ILE CD1 C 13 14.136 0.5 . 1 . . . . 55 I CD1 . 15682 1 541 . 1 1 55 55 ILE CG1 C 13 26.380 0.5 . 2 . . . . 55 I CG1 . 15682 1 542 . 1 1 55 55 ILE CG2 C 13 17.979 0.5 . 1 . . . . 55 I CG2 . 15682 1 543 . 1 1 55 55 ILE N N 15 117.839 0.5 . 1 . . . . 55 I N . 15682 1 544 . 1 1 56 56 VAL H H 1 8.484 0.05 . 1 . . . . 56 V HN . 15682 1 545 . 1 1 56 56 VAL HA H 1 3.388 0.05 . 1 . . . . 56 V HA . 15682 1 546 . 1 1 56 56 VAL HB H 1 1.786 0.05 . 1 . . . . 56 V HB . 15682 1 547 . 1 1 56 56 VAL HG11 H 1 0.732 0.05 . 2 . . . . 56 V HG11 . 15682 1 548 . 1 1 56 56 VAL HG12 H 1 0.732 0.05 . 2 . . . . 56 V HG11 . 15682 1 549 . 1 1 56 56 VAL HG13 H 1 0.732 0.05 . 2 . . . . 56 V HG11 . 15682 1 550 . 1 1 56 56 VAL HG21 H 1 0.732 0.05 . 2 . . . . 56 V HG21 . 15682 1 551 . 1 1 56 56 VAL HG22 H 1 0.732 0.05 . 2 . . . . 56 V HG21 . 15682 1 552 . 1 1 56 56 VAL HG23 H 1 0.732 0.05 . 2 . . . . 56 V HG21 . 15682 1 553 . 1 1 56 56 VAL C C 13 175.803 0.5 . 1 . . . . 56 V C . 15682 1 554 . 1 1 56 56 VAL CA C 13 63.426 0.5 . 1 . . . . 56 V CA . 15682 1 555 . 1 1 56 56 VAL CB C 13 32.357 0.5 . 1 . . . . 56 V CB . 15682 1 556 . 1 1 56 56 VAL CG1 C 13 22.085 0.5 . 1 . . . . 56 V CG1 . 15682 1 557 . 1 1 56 56 VAL CG2 C 13 20.653 0.5 . 1 . . . . 56 V CG2 . 15682 1 558 . 1 1 56 56 VAL N N 15 123.589 0.5 . 1 . . . . 56 V N . 15682 1 559 . 1 1 57 57 ARG H H 1 8.114 0.05 . 1 . . . . 57 R HN . 15682 1 560 . 1 1 57 57 ARG HA H 1 4.054 0.05 . 1 . . . . 57 R HA . 15682 1 561 . 1 1 57 57 ARG HB2 H 1 1.599 0.05 . 2 . . . . 57 R HB1 . 15682 1 562 . 1 1 57 57 ARG HB3 H 1 1.314 0.05 . 2 . . . . 57 R HB2 . 15682 1 563 . 1 1 57 57 ARG HD2 H 1 3.090 0.05 . 2 . . . . 57 R HD1 . 15682 1 564 . 1 1 57 57 ARG HD3 H 1 3.041 0.05 . 2 . . . . 57 R HD2 . 15682 1 565 . 1 1 57 57 ARG HG2 H 1 1.390 0.05 . 2 . . . . 57 R HG1 . 15682 1 566 . 1 1 57 57 ARG HG3 H 1 1.335 0.05 . 2 . . . . 57 R HG2 . 15682 1 567 . 1 1 57 57 ARG C C 13 175.445 0.5 . 1 . . . . 57 R C . 15682 1 568 . 1 1 57 57 ARG CA C 13 56.522 0.5 . 1 . . . . 57 R CA . 15682 1 569 . 1 1 57 57 ARG CB C 13 30.926 0.5 . 1 . . . . 57 R CB . 15682 1 570 . 1 1 57 57 ARG CD C 13 43.471 0.5 . 1 . . . . 57 R CD . 15682 1 571 . 1 1 57 57 ARG CG C 13 27.979 0.5 . 1 . . . . 57 R CG . 15682 1 572 . 1 1 57 57 ARG N N 15 126.137 0.5 . 1 . . . . 57 R N . 15682 1 573 . 1 1 58 58 GLN HA H 1 4.309 0.05 . 1 . . . . 58 Q HA . 15682 1 574 . 1 1 58 58 GLN HB2 H 1 2.030 0.05 . 2 . . . . 58 Q HB1 . 15682 1 575 . 1 1 58 58 GLN HB3 H 1 1.891 0.05 . 2 . . . . 58 Q HB2 . 15682 1 576 . 1 1 58 58 GLN HG2 H 1 2.283 0.05 . 2 . . . . 58 Q HG1 . 15682 1 577 . 1 1 58 58 GLN HG3 H 1 2.228 0.05 . 2 . . . . 58 Q HG2 . 15682 1 578 . 1 1 58 58 GLN C C 13 175.714 0.5 . 1 . . . . 58 Q C . 15682 1 579 . 1 1 58 58 GLN CA C 13 55.568 0.5 . 1 . . . . 58 Q CA . 15682 1 580 . 1 1 58 58 GLN CB C 13 29.677 0.5 . 1 . . . . 58 Q CB . 15682 1 581 . 1 1 58 58 GLN CG C 13 33.887 0.5 . 1 . . . . 58 Q CG . 15682 1 582 . 1 1 59 59 GLU H H 1 8.577 0.05 . 1 . . . . 59 E HN . 15682 1 583 . 1 1 59 59 GLU HA H 1 4.314 0.05 . 1 . . . . 59 E HA . 15682 1 584 . 1 1 59 59 GLU HB2 H 1 2.089 0.05 . 2 . . . . 59 E HB1 . 15682 1 585 . 1 1 59 59 GLU HB3 H 1 1.921 0.05 . 2 . . . . 59 E HB2 . 15682 1 586 . 1 1 59 59 GLU HG2 H 1 2.214 0.05 . 2 . . . . 59 E HG1 . 15682 1 587 . 1 1 59 59 GLU HG3 H 1 2.214 0.05 . 2 . . . . 59 E HG2 . 15682 1 588 . 1 1 59 59 GLU C C 13 176.415 0.5 . 1 . . . . 59 E C . 15682 1 589 . 1 1 59 59 GLU CA C 13 56.765 0.5 . 1 . . . . 59 E CA . 15682 1 590 . 1 1 59 59 GLU CB C 13 30.312 0.5 . 1 . . . . 59 E CB . 15682 1 591 . 1 1 59 59 GLU CG C 13 36.210 0.5 . 1 . . . . 59 E CG . 15682 1 592 . 1 1 59 59 GLU N N 15 122.963 0.5 . 1 . . . . 59 E N . 15682 1 593 . 1 1 60 60 SER H H 1 8.315 0.05 . 1 . . . . 60 S HN . 15682 1 594 . 1 1 60 60 SER HA H 1 4.446 0.05 . 1 . . . . 60 S HA . 15682 1 595 . 1 1 60 60 SER HB2 H 1 3.837 0.05 . 2 . . . . 60 S HB1 . 15682 1 596 . 1 1 60 60 SER HB3 H 1 3.837 0.05 . 2 . . . . 60 S HB2 . 15682 1 597 . 1 1 60 60 SER C C 13 173.939 0.5 . 1 . . . . 60 S C . 15682 1 598 . 1 1 60 60 SER CA C 13 58.479 0.5 . 1 . . . . 60 S CA . 15682 1 599 . 1 1 60 60 SER CB C 13 64.001 0.5 . 1 . . . . 60 S CB . 15682 1 600 . 1 1 60 60 SER N N 15 116.541 0.5 . 1 . . . . 60 S N . 15682 1 601 . 1 1 61 61 GLY H H 1 7.999 0.05 . 1 . . . . 61 G HN . 15682 1 602 . 1 1 61 61 GLY C C 13 179.025 0.5 . 1 . . . . 61 G C . 15682 1 603 . 1 1 61 61 GLY CA C 13 46.167 0.5 . 1 . . . . 61 G CA . 15682 1 604 . 1 1 61 61 GLY N N 15 116.984 0.5 . 1 . . . . 61 G N . 15682 1 stop_ save_