data_26562 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26562 _Entry.Title ; NMR assignments of the dust mite allergen Der p 23 from Dermatophagoides pteronyssinus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-04-16 _Entry.Accession_date 2015-04-16 _Entry.Last_release_date 2016-01-06 _Entry.Original_release_date 2016-01-06 _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 Geoffrey Mueller . . . . 26562 2 Robert London . . . . 26562 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26562 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 139 26562 '15N chemical shifts' 41 26562 '1H chemical shifts' 207 26562 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 . . 2016-07-12 2015-04-16 update BMRB 'update entry citation' 26562 1 . . 2016-01-06 2015-04-16 original author 'original release' 26562 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26562 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26602749 _Citation.Full_citation . _Citation.Title ; Serological, genomic, and structural analyses of the major mite allergen Der p 23 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Clin. Exp. Allergy' _Citation.Journal_name_full . _Citation.Journal_volume 46 _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 365 _Citation.Page_last 376 _Citation.Year 2015 _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 Geoffrey Mueller . . . . 26562 1 2 Robert London . . . . 26562 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26562 _Assembly.ID 1 _Assembly.Name 'major mite allergen Der p 23' _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 'major mite allergen Der p 23' 1 $Der_p_23 A . yes native no no . . . 26562 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 7 7 SG . 1 . 1 CYS 26 26 SG . . . . . . . . . . 26562 1 2 disulfide single . 1 . 1 CYS 36 36 SG . 1 . 1 CYS 49 49 SG . . . . . . . . . . 26562 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 4ZCE . . 'X-ray crystallography' . 'same protein construct' . 26562 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Der_p_23 _Entity.Sf_category entity _Entity.Sf_framecode Der_p_23 _Entity.Entry_ID 26562 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Der_p_23 _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 ; SFTKFECPSRFGYFADPKDP HKFYICSNWEAVHKDCPGNT RWNEDEETCT ; _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 50 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes GB ACB46292 . . . . . . . . . . . . . . . . 26562 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 41 SER . 26562 1 2 42 PHE . 26562 1 3 43 THR . 26562 1 4 44 LYS . 26562 1 5 45 PHE . 26562 1 6 46 GLU . 26562 1 7 47 CYS . 26562 1 8 48 PRO . 26562 1 9 49 SER . 26562 1 10 50 ARG . 26562 1 11 51 PHE . 26562 1 12 52 GLY . 26562 1 13 53 TYR . 26562 1 14 54 PHE . 26562 1 15 55 ALA . 26562 1 16 56 ASP . 26562 1 17 57 PRO . 26562 1 18 58 LYS . 26562 1 19 59 ASP . 26562 1 20 60 PRO . 26562 1 21 61 HIS . 26562 1 22 62 LYS . 26562 1 23 63 PHE . 26562 1 24 64 TYR . 26562 1 25 65 ILE . 26562 1 26 66 CYS . 26562 1 27 67 SER . 26562 1 28 68 ASN . 26562 1 29 69 TRP . 26562 1 30 70 GLU . 26562 1 31 71 ALA . 26562 1 32 72 VAL . 26562 1 33 73 HIS . 26562 1 34 74 LYS . 26562 1 35 75 ASP . 26562 1 36 76 CYS . 26562 1 37 77 PRO . 26562 1 38 78 GLY . 26562 1 39 79 ASN . 26562 1 40 80 THR . 26562 1 41 81 ARG . 26562 1 42 82 TRP . 26562 1 43 83 ASN . 26562 1 44 84 GLU . 26562 1 45 85 ASP . 26562 1 46 86 GLU . 26562 1 47 87 GLU . 26562 1 48 88 THR . 26562 1 49 89 CYS . 26562 1 50 90 THR . 26562 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 26562 1 . PHE 2 2 26562 1 . THR 3 3 26562 1 . LYS 4 4 26562 1 . PHE 5 5 26562 1 . GLU 6 6 26562 1 . CYS 7 7 26562 1 . PRO 8 8 26562 1 . SER 9 9 26562 1 . ARG 10 10 26562 1 . PHE 11 11 26562 1 . GLY 12 12 26562 1 . TYR 13 13 26562 1 . PHE 14 14 26562 1 . ALA 15 15 26562 1 . ASP 16 16 26562 1 . PRO 17 17 26562 1 . LYS 18 18 26562 1 . ASP 19 19 26562 1 . PRO 20 20 26562 1 . HIS 21 21 26562 1 . LYS 22 22 26562 1 . PHE 23 23 26562 1 . TYR 24 24 26562 1 . ILE 25 25 26562 1 . CYS 26 26 26562 1 . SER 27 27 26562 1 . ASN 28 28 26562 1 . TRP 29 29 26562 1 . GLU 30 30 26562 1 . ALA 31 31 26562 1 . VAL 32 32 26562 1 . HIS 33 33 26562 1 . LYS 34 34 26562 1 . ASP 35 35 26562 1 . CYS 36 36 26562 1 . PRO 37 37 26562 1 . GLY 38 38 26562 1 . ASN 39 39 26562 1 . THR 40 40 26562 1 . ARG 41 41 26562 1 . TRP 42 42 26562 1 . ASN 43 43 26562 1 . GLU 44 44 26562 1 . ASP 45 45 26562 1 . GLU 46 46 26562 1 . GLU 47 47 26562 1 . THR 48 48 26562 1 . CYS 49 49 26562 1 . THR 50 50 26562 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 26562 _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 $Der_p_23 . 6956 organism . 'Dermatophagoides pteronyssinus' 'European house dust mite' . . Eukaryota Metazoa Dermatophagoides pteronyssinus . . . . . . . . . . . . . 26562 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 26562 _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 $Der_p_23 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pDest566 . . . 26562 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26562 _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 'Der p 23' '[U-100% 13C; U-100% 15N]' . . 1 $Der_p_23 . . 0.5 . . mM 0.2 . . . 26562 1 2 'sodium chloride' 'natural abundance' . . . . . . 68.5 . . mM . . . . 26562 1 3 'potassium chloride' 'natural abundance' . . . . . . 1.35 . . mM . . . . 26562 1 4 'sodium phosphate' 'natural abundance' . . . . . . 5 . . mM . . . . 26562 1 5 'potassium phosphate' 'natural abundance' . . . . . . 0.9 . . mM . . . . 26562 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26562 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26562 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 26562 _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' 0.10185 . M 26562 1 pH 7.4 . pH 26562 1 pressure 1 . atm 26562 1 temperature 273 . K 26562 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 26562 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 26562 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26562 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26562 _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' . . 26562 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26562 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 26562 _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' . . 26562 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26562 3 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 26562 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26562 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 26562 _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 Varian INOVA . 500 . . . 26562 1 2 spectrometer_2 Varian INOVA . 600 . . . 26562 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 26562 _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 . . . . . . . . . . . . . . . . . . . . . 26562 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26562 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26562 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26562 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26562 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26562 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26562 1 8 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26562 1 9 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26562 1 10 hbcbcgcdhd no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26562 1 11 hbcbcgcdcehe no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26562 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 26562 _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 water protons . . . . ppm 4.7649 internal indirect 0.251449530 . . . . . 26562 1 H 1 water protons . . . . ppm 4.7649 internal direct 1 . . . . . 26562 1 N 15 water protons . . . . ppm 4.7649 internal indirect 0.101329118 . . . . . 26562 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 26562 _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' . . . 26562 1 2 '3D HNCA' . . . 26562 1 3 '3D HNCACB' . . . 26562 1 4 '3D HN(CO)CA' . . . 26562 1 5 '3D CBCA(CO)NH' . . . 26562 1 6 '3D C(CO)NH' . . . 26562 1 7 '3D H(CCO)NH' . . . 26562 1 8 '2D 1H-13C HSQC aromatic' . . . 26562 1 9 '2D 1H-13C HSQC aliphatic' . . . 26562 1 10 hbcbcgcdhd . . . 26562 1 11 hbcbcgcdcehe . . . 26562 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 4 4 LYS HA H 1 4.2712 . . 1 . . . . 44 LYS HA . 26562 1 2 . 1 1 4 4 LYS HG2 H 1 1.3212 . . 2 . . . . 44 LYS HG2 . 26562 1 3 . 1 1 4 4 LYS HD2 H 1 1.6641 . . 2 . . . . 44 LYS HD2 . 26562 1 4 . 1 1 4 4 LYS HE2 H 1 2.9700 . . 2 . . . . 44 LYS HE2 . 26562 1 5 . 1 1 4 4 LYS CA C 13 55.8305 . . 1 . 66392 . . 44 LYS CA . 26562 1 6 . 1 1 4 4 LYS CB C 13 33.5769 . . 1 . 66776 . . 44 LYS CB . 26562 1 7 . 1 1 4 4 LYS CG C 13 24.4127 . . 1 . . . . 44 LYS CG . 26562 1 8 . 1 1 4 4 LYS CD C 13 29.2284 . . 1 . . . . 44 LYS CD . 26562 1 9 . 1 1 4 4 LYS CE C 13 42.1225 . . 1 . . . . 44 LYS CE . 26562 1 10 . 1 1 5 5 PHE H H 1 8.2472 . . 1 . 66394 . . 45 PHE H . 26562 1 11 . 1 1 5 5 PHE HA H 1 3.9895 . . 1 . . . . 45 PHE HA . 26562 1 12 . 1 1 5 5 PHE HB2 H 1 2.3853 . . 2 . . . . 45 PHE HB2 . 26562 1 13 . 1 1 5 5 PHE HB3 H 1 1.9452 . . 2 . . . . 45 PHE HB3 . 26562 1 14 . 1 1 5 5 PHE HD1 H 1 6.2988 . . 3 . . . . 45 PHE HD1 . 26562 1 15 . 1 1 5 5 PHE CA C 13 58.9201 . . 1 . 66917 . . 45 PHE CA . 26562 1 16 . 1 1 5 5 PHE CB C 13 40.1179 . . 1 . 66914 . . 45 PHE CB . 26562 1 17 . 1 1 5 5 PHE CD1 C 13 131.2083 . . 3 . . . . 45 PHE CD1 . 26562 1 18 . 1 1 5 5 PHE N N 15 124.9415 . . 1 . 66396 . . 45 PHE N . 26562 1 19 . 1 1 6 6 GLU H H 1 7.1354 . . 1 . 66574 . . 46 GLU H . 26562 1 20 . 1 1 6 6 GLU HA H 1 4.0669 . . 1 . . . . 46 GLU HA . 26562 1 21 . 1 1 6 6 GLU HB2 H 1 1.3988 . . 2 . . . . 46 GLU HB2 . 26562 1 22 . 1 1 6 6 GLU HB3 H 1 1.5399 . . 2 . . . . 46 GLU HB3 . 26562 1 23 . 1 1 6 6 GLU HG2 H 1 1.9181 . . 2 . . . . 46 GLU HG2 . 26562 1 24 . 1 1 6 6 GLU CA C 13 53.5959 . . 1 . 67340 . . 46 GLU CA . 26562 1 25 . 1 1 6 6 GLU CB C 13 31.1300 . . 1 . 66311 . . 46 GLU CB . 26562 1 26 . 1 1 6 6 GLU CG C 13 35.7479 . . 1 . . . . 46 GLU CG . 26562 1 27 . 1 1 6 6 GLU N N 15 127.1047 . . 1 . 66576 . . 46 GLU N . 26562 1 28 . 1 1 7 7 CYS H H 1 8.7352 . . 1 . 66322 . . 47 CYS H . 26562 1 29 . 1 1 7 7 CYS HA H 1 3.5150 . . 1 . . . . 47 CYS HA . 26562 1 30 . 1 1 7 7 CYS HB2 H 1 3.4060 . . 2 . . . . 47 CYS HB2 . 26562 1 31 . 1 1 7 7 CYS HB3 H 1 2.9220 . . 2 . . . . 47 CYS HB3 . 26562 1 32 . 1 1 7 7 CYS CA C 13 56.8209 . . 1 . 67043 . . 47 CYS CA . 26562 1 33 . 1 1 7 7 CYS CB C 13 43.9939 . . 1 . 66323 . . 47 CYS CB . 26562 1 34 . 1 1 7 7 CYS N N 15 122.9514 . . 1 . 66324 . . 47 CYS N . 26562 1 35 . 1 1 8 8 PRO HA H 1 4.3734 . . 1 . . . . 48 PRO HA . 26562 1 36 . 1 1 8 8 PRO HB2 H 1 2.1347 . . 2 . . . . 48 PRO HB2 . 26562 1 37 . 1 1 8 8 PRO HG2 H 1 1.4684 . . 2 . . . . 48 PRO HG2 . 26562 1 38 . 1 1 8 8 PRO HG3 H 1 1.7899 . . 2 . . . . 48 PRO HG3 . 26562 1 39 . 1 1 8 8 PRO HD2 H 1 3.4390 . . 2 . . . . 48 PRO HD2 . 26562 1 40 . 1 1 8 8 PRO CA C 13 63.0234 . . 1 . 66932 . . 48 PRO CA . 26562 1 41 . 1 1 8 8 PRO CB C 13 32.0531 . . 1 . 66935 . . 48 PRO CB . 26562 1 42 . 1 1 8 8 PRO CG C 13 27.1753 . . 1 . . . . 48 PRO CG . 26562 1 43 . 1 1 8 8 PRO CD C 13 50.6048 . . 1 . . . . 48 PRO CD . 26562 1 44 . 1 1 9 9 SER H H 1 6.7059 . . 1 . 66931 . . 49 SER H . 26562 1 45 . 1 1 9 9 SER HA H 1 4.2002 . . 1 . . . . 49 SER HA . 26562 1 46 . 1 1 9 9 SER HB2 H 1 3.7614 . . 2 . . . . 49 SER HB2 . 26562 1 47 . 1 1 9 9 SER CA C 13 56.1406 . . 1 . 67241 . . 49 SER CA . 26562 1 48 . 1 1 9 9 SER CB C 13 66.0080 . . 1 . 66908 . . 49 SER CB . 26562 1 49 . 1 1 9 9 SER N N 15 109.6158 . . 1 . 66933 . . 49 SER N . 26562 1 50 . 1 1 10 10 ARG H H 1 7.3398 . . 1 . 66910 . . 50 ARG H . 26562 1 51 . 1 1 10 10 ARG CA C 13 59.1202 . . 1 . 66902 . . 50 ARG CA . 26562 1 52 . 1 1 10 10 ARG CB C 13 31.1849 . . 1 . 66563 . . 50 ARG CB . 26562 1 53 . 1 1 10 10 ARG CG C 13 27.5482 . . 1 . . . . 50 ARG CG . 26562 1 54 . 1 1 10 10 ARG CD C 13 43.7710 . . 1 . . . . 50 ARG CD . 26562 1 55 . 1 1 10 10 ARG N N 15 121.4161 . . 1 . 66912 . . 50 ARG N . 26562 1 56 . 1 1 11 11 PHE H H 1 7.4732 . . 1 . 66547 . . 51 PHE H . 26562 1 57 . 1 1 11 11 PHE HA H 1 5.0907 . . 1 . . . . 51 PHE HA . 26562 1 58 . 1 1 11 11 PHE HB2 H 1 2.7290 . . 2 . . . . 51 PHE HB2 . 26562 1 59 . 1 1 11 11 PHE HB3 H 1 3.0911 . . 2 . . . . 51 PHE HB3 . 26562 1 60 . 1 1 11 11 PHE HD1 H 1 7.3879 . . 3 . . . . 51 PHE HD1 . 26562 1 61 . 1 1 11 11 PHE CA C 13 54.6816 . . 1 . 66524 . . 51 PHE CA . 26562 1 62 . 1 1 11 11 PHE CB C 13 43.1567 . . 1 . 66551 . . 51 PHE CB . 26562 1 63 . 1 1 11 11 PHE CD1 C 13 131.7538 . . 3 . . . . 51 PHE CD1 . 26562 1 64 . 1 1 11 11 PHE N N 15 110.0897 . . 1 . 66549 . . 51 PHE N . 26562 1 65 . 1 1 12 12 GLY H H 1 7.6855 . . 1 . 66889 . . 52 GLY H . 26562 1 66 . 1 1 12 12 GLY HA2 H 1 4.3502 . . 2 . . . . 52 GLY HA2 . 26562 1 67 . 1 1 12 12 GLY HA3 H 1 4.9142 . . 2 . . . . 52 GLY HA3 . 26562 1 68 . 1 1 12 12 GLY CA C 13 45.1060 . . 1 . 69426 . . 52 GLY CA . 26562 1 69 . 1 1 12 12 GLY N N 15 107.3377 . . 1 . 66891 . . 52 GLY N . 26562 1 70 . 1 1 13 13 TYR H H 1 8.0792 . . 1 . 69408 . . 53 TYR H . 26562 1 71 . 1 1 13 13 TYR HA H 1 5.2582 . . 1 . . . . 53 TYR HA . 26562 1 72 . 1 1 13 13 TYR HB2 H 1 2.9452 . . 2 . . . . 53 TYR HB2 . 26562 1 73 . 1 1 13 13 TYR HD1 H 1 7.1718 . . 3 . . . . 53 TYR HD1 . 26562 1 74 . 1 1 13 13 TYR HE1 H 1 6.9189 . . 3 . . . . 53 TYR HE1 . 26562 1 75 . 1 1 13 13 TYR CA C 13 56.4941 . . 1 . 67298 . . 53 TYR CA . 26562 1 76 . 1 1 13 13 TYR CB C 13 40.8323 . . 1 . 69420 . . 53 TYR CB . 26562 1 77 . 1 1 13 13 TYR CE1 C 13 118.4262 . . 3 . . . . 53 TYR CE1 . 26562 1 78 . 1 1 13 13 TYR N N 15 119.2208 . . 1 . 69410 . . 53 TYR N . 26562 1 79 . 1 1 14 14 PHE H H 1 9.2327 . . 1 . 66178 . . 54 PHE H . 26562 1 80 . 1 1 14 14 PHE HA H 1 4.9000 . . 1 . . . . 54 PHE HA . 26562 1 81 . 1 1 14 14 PHE HB2 H 1 3.5200 . . 2 . . . . 54 PHE HB2 . 26562 1 82 . 1 1 14 14 PHE HB3 H 1 2.4700 . . 2 . . . . 54 PHE HB3 . 26562 1 83 . 1 1 14 14 PHE HD1 H 1 7.2945 . . 3 . . . . 54 PHE HD1 . 26562 1 84 . 1 1 14 14 PHE CA C 13 56.9588 . . 1 . 67337 . . 54 PHE CA . 26562 1 85 . 1 1 14 14 PHE CB C 13 44.6266 . . 1 . 66176 . . 54 PHE CB . 26562 1 86 . 1 1 14 14 PHE CD1 C 13 131.9810 . . 3 . . . . 54 PHE CD1 . 26562 1 87 . 1 1 14 14 PHE N N 15 119.3694 . . 1 . 66180 . . 54 PHE N . 26562 1 88 . 1 1 15 15 ALA H H 1 8.7526 . . 1 . 67508 . . 55 ALA H . 26562 1 89 . 1 1 15 15 ALA HA H 1 3.5500 . . 1 . . . . 55 ALA HA . 26562 1 90 . 1 1 15 15 ALA HB1 H 1 1.4679 . . 1 . . . . 55 ALA HB1 . 26562 1 91 . 1 1 15 15 ALA HB2 H 1 1.4679 . . 1 . . . . 55 ALA HB1 . 26562 1 92 . 1 1 15 15 ALA HB3 H 1 1.4679 . . 1 . . . . 55 ALA HB1 . 26562 1 93 . 1 1 15 15 ALA CA C 13 52.4930 . . 1 . 67112 . . 55 ALA CA . 26562 1 94 . 1 1 15 15 ALA CB C 13 18.9525 . . 1 . 66302 . . 55 ALA CB . 26562 1 95 . 1 1 15 15 ALA N N 15 122.6698 . . 1 . 67509 . . 55 ALA N . 26562 1 96 . 1 1 16 16 ASP H H 1 8.1942 . . 1 . 66406 . . 56 ASP H . 26562 1 97 . 1 1 16 16 ASP HA H 1 4.9900 . . 1 . . . . 56 ASP HA . 26562 1 98 . 1 1 16 16 ASP CA C 13 50.5604 . . 1 . 67115 . . 56 ASP CA . 26562 1 99 . 1 1 16 16 ASP CB C 13 42.1830 . . 1 . 66410 . . 56 ASP CB . 26562 1 100 . 1 1 16 16 ASP N N 15 118.9593 . . 1 . 66408 . . 56 ASP N . 26562 1 101 . 1 1 17 17 PRO CA C 13 64.0148 . . 1 . 67358 . . 57 PRO CA . 26562 1 102 . 1 1 17 17 PRO CB C 13 32.7146 . . 1 . 69163 . . 57 PRO CB . 26562 1 103 . 1 1 17 17 PRO CG C 13 27.1908 . . 1 . . . . 57 PRO CG . 26562 1 104 . 1 1 17 17 PRO CD C 13 51.1811 . . 1 . . . . 57 PRO CD . 26562 1 105 . 1 1 18 18 LYS H H 1 8.5178 . . 1 . 67357 . . 58 LYS H . 26562 1 106 . 1 1 18 18 LYS HA H 1 4.4117 . . 1 . . . . 58 LYS HA . 26562 1 107 . 1 1 18 18 LYS HB2 H 1 1.9100 . . 2 . . . . 58 LYS HB2 . 26562 1 108 . 1 1 18 18 LYS HB3 H 1 1.9800 . . 2 . . . . 58 LYS HB3 . 26562 1 109 . 1 1 18 18 LYS HG2 H 1 1.5100 . . 2 . . . . 58 LYS HG2 . 26562 1 110 . 1 1 18 18 LYS HG3 H 1 1.4100 . . 2 . . . . 58 LYS HG3 . 26562 1 111 . 1 1 18 18 LYS HD2 H 1 1.6700 . . 2 . . . . 58 LYS HD2 . 26562 1 112 . 1 1 18 18 LYS HE2 H 1 3.0014 . . 2 . . . . 58 LYS HE2 . 26562 1 113 . 1 1 18 18 LYS CA C 13 55.4323 . . 1 . 67265 . . 58 LYS CA . 26562 1 114 . 1 1 18 18 LYS CB C 13 33.2146 . . 1 . 69133 . . 58 LYS CB . 26562 1 115 . 1 1 18 18 LYS CG C 13 24.9791 . . 1 . . . . 58 LYS CG . 26562 1 116 . 1 1 18 18 LYS CD C 13 28.4779 . . 1 . . . . 58 LYS CD . 26562 1 117 . 1 1 18 18 LYS CE C 13 42.0612 . . 1 . . . . 58 LYS CE . 26562 1 118 . 1 1 18 18 LYS N N 15 114.7570 . . 1 . 67359 . . 58 LYS N . 26562 1 119 . 1 1 19 19 ASP H H 1 7.1029 . . 1 . 67444 . . 59 ASP H . 26562 1 120 . 1 1 19 19 ASP HA H 1 5.0000 . . 1 . . . . 59 ASP HA . 26562 1 121 . 1 1 19 19 ASP HB2 H 1 2.3800 . . 2 . . . . 59 ASP HB2 . 26562 1 122 . 1 1 19 19 ASP HB3 H 1 2.7500 . . 2 . . . . 59 ASP HB3 . 26562 1 123 . 1 1 19 19 ASP CA C 13 51.7923 . . 1 . 70691 . . 59 ASP CA . 26562 1 124 . 1 1 19 19 ASP CB C 13 43.4641 . . 1 . 70671 . . 59 ASP CB . 26562 1 125 . 1 1 19 19 ASP N N 15 118.4309 . . 1 . 67446 . . 59 ASP N . 26562 1 126 . 1 1 20 20 PRO HA H 1 4.9613 . . 1 . . . . 60 PRO HA . 26562 1 127 . 1 1 20 20 PRO HB2 H 1 2.5169 . . 2 . . . . 60 PRO HB2 . 26562 1 128 . 1 1 20 20 PRO HG2 H 1 1.7029 . . 2 . . . . 60 PRO HG2 . 26562 1 129 . 1 1 20 20 PRO HG3 H 1 2.0736 . . 2 . . . . 60 PRO HG3 . 26562 1 130 . 1 1 20 20 PRO HD2 H 1 3.9860 . . 2 . . . . 60 PRO HD2 . 26562 1 131 . 1 1 20 20 PRO HD3 H 1 3.8163 . . 2 . . . . 60 PRO HD3 . 26562 1 132 . 1 1 20 20 PRO CA C 13 64.0000 . . 1 . . . . 60 PRO CA . 26562 1 133 . 1 1 20 20 PRO CB C 13 32.8300 . . 1 . . . . 60 PRO CB . 26562 1 134 . 1 1 20 20 PRO CG C 13 26.5000 . . 1 . . . . 60 PRO CG . 26562 1 135 . 1 1 20 20 PRO CD C 13 51.2600 . . 1 . . . . 60 PRO CD . 26562 1 136 . 1 1 21 21 HIS H H 1 9.0200 . . 1 . . . . 61 HIS H . 26562 1 137 . 1 1 21 21 HIS HA H 1 4.7701 . . 1 . . . . 61 HIS HA . 26562 1 138 . 1 1 21 21 HIS HB2 H 1 3.2524 . . 2 . . . . 61 HIS HB2 . 26562 1 139 . 1 1 21 21 HIS HB3 H 1 3.8941 . . 2 . . . . 61 HIS HB3 . 26562 1 140 . 1 1 21 21 HIS HD2 H 1 7.4748 . . 1 . . . . 61 HIS HD2 . 26562 1 141 . 1 1 21 21 HIS CA C 13 56.2191 . . 1 . 66476 . . 61 HIS CA . 26562 1 142 . 1 1 21 21 HIS CB C 13 28.4000 . . 1 . . . . 61 HIS CB . 26562 1 143 . 1 1 21 21 HIS CD2 C 13 120.9436 . . 1 . . . . 61 HIS CD2 . 26562 1 144 . 1 1 21 21 HIS N N 15 115.0800 . . 1 . . . . 61 HIS N . 26562 1 145 . 1 1 22 22 LYS H H 1 7.8649 . . 1 . 67186 . . 62 LYS H . 26562 1 146 . 1 1 22 22 LYS HA H 1 5.1298 . . 1 . . . . 62 LYS HA . 26562 1 147 . 1 1 22 22 LYS HB2 H 1 1.6000 . . 2 . . . . 62 LYS HB2 . 26562 1 148 . 1 1 22 22 LYS HB3 H 1 1.9600 . . 2 . . . . 62 LYS HB3 . 26562 1 149 . 1 1 22 22 LYS HE2 H 1 2.7373 . . 2 . . . . 62 LYS HE2 . 26562 1 150 . 1 1 22 22 LYS CA C 13 54.9976 . . 1 . 67361 . . 62 LYS CA . 26562 1 151 . 1 1 22 22 LYS CB C 13 37.5963 . . 1 . 66770 . . 62 LYS CB . 26562 1 152 . 1 1 22 22 LYS CG C 13 26.2214 . . 1 . . . . 62 LYS CG . 26562 1 153 . 1 1 22 22 LYS CD C 13 29.4310 . . 1 . . . . 62 LYS CD . 26562 1 154 . 1 1 22 22 LYS CE C 13 41.8569 . . 1 . . . . 62 LYS CE . 26562 1 155 . 1 1 22 22 LYS N N 15 120.2337 . . 1 . 67188 . . 62 LYS N . 26562 1 156 . 1 1 23 23 PHE H H 1 8.3682 . . 1 . 66370 . . 63 PHE H . 26562 1 157 . 1 1 23 23 PHE HA H 1 4.4390 . . 1 . . . . 63 PHE HA . 26562 1 158 . 1 1 23 23 PHE HB2 H 1 2.2270 . . 2 . . . . 63 PHE HB2 . 26562 1 159 . 1 1 23 23 PHE HB3 H 1 1.6832 . . 2 . . . . 63 PHE HB3 . 26562 1 160 . 1 1 23 23 PHE HD1 H 1 6.4425 . . 3 . . . . 63 PHE HD1 . 26562 1 161 . 1 1 23 23 PHE HE1 H 1 6.8353 . . 3 . . . . 63 PHE HE1 . 26562 1 162 . 1 1 23 23 PHE CA C 13 56.2005 . . 1 . 66632 . . 63 PHE CA . 26562 1 163 . 1 1 23 23 PHE CB C 13 38.7483 . . 1 . 66374 . . 63 PHE CB . 26562 1 164 . 1 1 23 23 PHE CD1 C 13 132.8970 . . 3 . . . . 63 PHE CD1 . 26562 1 165 . 1 1 23 23 PHE CE1 C 13 130.5325 . . 3 . . . . 63 PHE CE1 . 26562 1 166 . 1 1 23 23 PHE N N 15 112.6114 . . 1 . 66372 . . 63 PHE N . 26562 1 167 . 1 1 24 24 TYR H H 1 9.3264 . . 1 . 67466 . . 64 TYR H . 26562 1 168 . 1 1 24 24 TYR HA H 1 5.2360 . . 1 . . . . 64 TYR HA . 26562 1 169 . 1 1 24 24 TYR HB2 H 1 2.2708 . . 2 . . . . 64 TYR HB2 . 26562 1 170 . 1 1 24 24 TYR HB3 H 1 1.9831 . . 2 . . . . 64 TYR HB3 . 26562 1 171 . 1 1 24 24 TYR HD1 H 1 6.0666 . . 3 . . . . 64 TYR HD1 . 26562 1 172 . 1 1 24 24 TYR HE1 H 1 6.05 . . 3 . . . . 64 TYR HE1 . 26562 1 173 . 1 1 24 24 TYR CA C 13 56.7277 . . 1 . 66266 . . 64 TYR CA . 26562 1 174 . 1 1 24 24 TYR CB C 13 42.6401 . . 1 . 66161 . . 64 TYR CB . 26562 1 175 . 1 1 24 24 TYR CD1 C 13 132.4142 . . 3 . . . . 64 TYR CD1 . 26562 1 176 . 1 1 24 24 TYR CE1 C 13 116.23 . . 3 . . . . 64 TYR CE1 . 26562 1 177 . 1 1 24 24 TYR N N 15 116.8891 . . 1 . 67467 . . 64 TYR N . 26562 1 178 . 1 1 25 25 ILE H H 1 8.8218 . . 1 . 66703 . . 65 ILE H . 26562 1 179 . 1 1 25 25 ILE HA H 1 4.6233 . . 1 . . . . 65 ILE HA . 26562 1 180 . 1 1 25 25 ILE HB H 1 1.57 . . 1 . . . . 65 ILE HB . 26562 1 181 . 1 1 25 25 ILE HG12 H 1 1.3900 . . 2 . . . . 65 ILE HG12 . 26562 1 182 . 1 1 25 25 ILE HG13 H 1 0.7700 . . 2 . . . . 65 ILE HG13 . 26562 1 183 . 1 1 25 25 ILE HG21 H 1 0.6500 . . 1 . . . . 65 ILE HG21 . 26562 1 184 . 1 1 25 25 ILE HG22 H 1 0.6500 . . 1 . . . . 65 ILE HG21 . 26562 1 185 . 1 1 25 25 ILE HG23 H 1 0.6500 . . 1 . . . . 65 ILE HG21 . 26562 1 186 . 1 1 25 25 ILE HD11 H 1 0.8755 . . 1 . . . . 65 ILE HD11 . 26562 1 187 . 1 1 25 25 ILE HD12 H 1 0.8755 . . 1 . . . . 65 ILE HD11 . 26562 1 188 . 1 1 25 25 ILE HD13 H 1 0.8755 . . 1 . . . . 65 ILE HD11 . 26562 1 189 . 1 1 25 25 ILE CA C 13 60.4581 . . 1 . 67289 . . 65 ILE CA . 26562 1 190 . 1 1 25 25 ILE CB C 13 40.4163 . . 1 . 66275 . . 65 ILE CB . 26562 1 191 . 1 1 25 25 ILE CG1 C 13 27.2600 . . 1 . . . . 65 ILE CG1 . 26562 1 192 . 1 1 25 25 ILE CG2 C 13 16.9081 . . 1 . . . . 65 ILE CG2 . 26562 1 193 . 1 1 25 25 ILE CD1 C 13 14.2566 . . 1 . . . . 65 ILE CD1 . 26562 1 194 . 1 1 25 25 ILE N N 15 119.3077 . . 1 . 66705 . . 65 ILE N . 26562 1 195 . 1 1 26 26 CYS H H 1 9.5286 . . 1 . 66151 . . 66 CYS H . 26562 1 196 . 1 1 26 26 CYS HA H 1 5.4771 . . 1 . . . . 66 CYS HA . 26562 1 197 . 1 1 26 26 CYS HB2 H 1 3.2590 . . 2 . . . . 66 CYS HB2 . 26562 1 198 . 1 1 26 26 CYS CA C 13 57.9612 . . 1 . 67313 . . 66 CYS CA . 26562 1 199 . 1 1 26 26 CYS CB C 13 48.4138 . . 1 . 66674 . . 66 CYS CB . 26562 1 200 . 1 1 26 26 CYS N N 15 126.3936 . . 1 . 66153 . . 66 CYS N . 26562 1 201 . 1 1 27 27 SER H H 1 8.9613 . . 1 . 66673 . . 67 SER H . 26562 1 202 . 1 1 27 27 SER HA H 1 4.7614 . . 1 . . . . 67 SER HA . 26562 1 203 . 1 1 27 27 SER HB2 H 1 3.7500 . . 2 . . . . 67 SER HB2 . 26562 1 204 . 1 1 27 27 SER HB3 H 1 3.9400 . . 2 . . . . 67 SER HB3 . 26562 1 205 . 1 1 27 27 SER CA C 13 57.2484 . . 1 . 66608 . . 67 SER CA . 26562 1 206 . 1 1 27 27 SER CB C 13 63.6828 . . 1 . 66605 . . 67 SER CB . 26562 1 207 . 1 1 27 27 SER N N 15 118.1791 . . 1 . 66675 . . 67 SER N . 26562 1 208 . 1 1 28 28 ASN H H 1 6.5892 . . 1 . 66604 . . 68 ASN H . 26562 1 209 . 1 1 28 28 ASN HA H 1 3.6700 . . 1 . . . . 68 ASN HA . 26562 1 210 . 1 1 28 28 ASN HB2 H 1 3.1900 . . 2 . . . . 68 ASN HB2 . 26562 1 211 . 1 1 28 28 ASN HB3 H 1 2.6700 . . 2 . . . . 68 ASN HB3 . 26562 1 212 . 1 1 28 28 ASN CA C 13 55.5103 . . 1 . 67061 . . 68 ASN CA . 26562 1 213 . 1 1 28 28 ASN CB C 13 37.5227 . . 1 . 66341 . . 68 ASN CB . 26562 1 214 . 1 1 28 28 ASN N N 15 128.0123 . . 1 . 66606 . . 68 ASN N . 26562 1 215 . 1 1 29 29 TRP H H 1 8.7061 . . 1 . 66349 . . 69 TRP H . 26562 1 216 . 1 1 29 29 TRP HA H 1 3.7197 . . 1 . . . . 69 TRP HA . 26562 1 217 . 1 1 29 29 TRP HB2 H 1 3.4899 . . 2 . . . . 69 TRP HB2 . 26562 1 218 . 1 1 29 29 TRP HB3 H 1 3.7600 . . 2 . . . . 69 TRP HB3 . 26562 1 219 . 1 1 29 29 TRP HD1 H 1 6.9138 . . 1 . . . . 69 TRP HD1 . 26562 1 220 . 1 1 29 29 TRP HZ2 H 1 7.4236 . . 1 . . . . 69 TRP HZ2 . 26562 1 221 . 1 1 29 29 TRP CA C 13 60.8076 . . 1 . 67169 . . 69 TRP CA . 26562 1 222 . 1 1 29 29 TRP CB C 13 26.3197 . . 1 . 66347 . . 69 TRP CB . 26562 1 223 . 1 1 29 29 TRP CD1 C 13 127.5903 . . 1 . . . . 69 TRP CD1 . 26562 1 224 . 1 1 29 29 TRP CZ2 C 13 114.4178 . . 1 . . . . 69 TRP CZ2 . 26562 1 225 . 1 1 29 29 TRP N N 15 136.01 . . 1 . 66351 . . 69 TRP N . 26562 1 226 . 1 1 30 30 GLU H H 1 7.8567 . . 1 . 66847 . . 70 GLU H . 26562 1 227 . 1 1 30 30 GLU HA H 1 4.6345 . . 1 . . . . 70 GLU HA . 26562 1 228 . 1 1 30 30 GLU HB2 H 1 2.1934 . . 2 . . . . 70 GLU HB2 . 26562 1 229 . 1 1 30 30 GLU HG2 H 1 2.3995 . . 2 . . . . 70 GLU HG2 . 26562 1 230 . 1 1 30 30 GLU CA C 13 55.5089 . . 1 . 66689 . . 70 GLU CA . 26562 1 231 . 1 1 30 30 GLU CB C 13 31.1352 . . 1 . 66242 . . 70 GLU CB . 26562 1 232 . 1 1 30 30 GLU CG C 13 36.1771 . . 1 . . . . 70 GLU CG . 26562 1 233 . 1 1 30 30 GLU N N 15 122.5796 . . 1 . 66849 . . 70 GLU N . 26562 1 234 . 1 1 31 31 ALA H H 1 8.8964 . . 1 . 66241 . . 71 ALA H . 26562 1 235 . 1 1 31 31 ALA HA H 1 5.1800 . . 1 . . . . 71 ALA HA . 26562 1 236 . 1 1 31 31 ALA HB1 H 1 1.4980 . . 1 . . . . 71 ALA HB1 . 26562 1 237 . 1 1 31 31 ALA HB2 H 1 1.4980 . . 1 . . . . 71 ALA HB1 . 26562 1 238 . 1 1 31 31 ALA HB3 H 1 1.4980 . . 1 . . . . 71 ALA HB1 . 26562 1 239 . 1 1 31 31 ALA CA C 13 51.4089 . . 1 . 66197 . . 71 ALA CA . 26562 1 240 . 1 1 31 31 ALA CB C 13 21.3053 . . 1 . 66194 . . 71 ALA CB . 26562 1 241 . 1 1 31 31 ALA N N 15 128.6784 . . 1 . 66243 . . 71 ALA N . 26562 1 242 . 1 1 32 32 VAL H H 1 9.0760 . . 1 . 66196 . . 72 VAL H . 26562 1 243 . 1 1 32 32 VAL HA H 1 4.3200 . . 1 . . . . 72 VAL HA . 26562 1 244 . 1 1 32 32 VAL HB H 1 2.0527 . . 1 . . . . 72 VAL HB . 26562 1 245 . 1 1 32 32 VAL HG11 H 1 0.9415 . . 2 . . . . 72 VAL HG11 . 26562 1 246 . 1 1 32 32 VAL HG12 H 1 0.9415 . . 2 . . . . 72 VAL HG11 . 26562 1 247 . 1 1 32 32 VAL HG13 H 1 0.9415 . . 2 . . . . 72 VAL HG11 . 26562 1 248 . 1 1 32 32 VAL CA C 13 61.7315 . . 1 . 66188 . . 72 VAL CA . 26562 1 249 . 1 1 32 32 VAL CB C 13 34.1807 . . 1 . 66191 . . 72 VAL CB . 26562 1 250 . 1 1 32 32 VAL CG1 C 13 21.1695 . . 2 . . . . 72 VAL CG1 . 26562 1 251 . 1 1 32 32 VAL N N 15 124.1037 . . 1 . 66198 . . 72 VAL N . 26562 1 252 . 1 1 33 33 HIS H H 1 8.8642 . . 1 . 67496 . . 73 HIS H . 26562 1 253 . 1 1 33 33 HIS HA H 1 4.0600 . . 1 . . . . 73 HIS HA . 26562 1 254 . 1 1 33 33 HIS HD2 H 1 5.8837 . . 1 . . . . 73 HIS HD2 . 26562 1 255 . 1 1 33 33 HIS CA C 13 53.4875 . . 1 . 67049 . . 73 HIS CA . 26562 1 256 . 1 1 33 33 HIS CB C 13 31.1500 . . 1 . . . . 73 HIS CB . 26562 1 257 . 1 1 33 33 HIS CD2 C 13 116.6376 . . 1 . . . . 73 HIS CD2 . 26562 1 258 . 1 1 33 33 HIS N N 15 129.8322 . . 1 . 67497 . . 73 HIS N . 26562 1 259 . 1 1 34 34 LYS H H 1 8.7072 . . 1 . 66343 . . 74 LYS H . 26562 1 260 . 1 1 34 34 LYS HA H 1 4.1800 . . 1 . . . . 74 LYS HA . 26562 1 261 . 1 1 34 34 LYS HB2 H 1 -0.4040 . . 2 . . . . 74 LYS HB2 . 26562 1 262 . 1 1 34 34 LYS HB3 H 1 0.7700 . . 2 . . . . 74 LYS HB3 . 26562 1 263 . 1 1 34 34 LYS HG2 H 1 0.9000 . . 2 . . . . 74 LYS HG2 . 26562 1 264 . 1 1 34 34 LYS HD2 H 1 1.4100 . . 2 . . . . 74 LYS HD2 . 26562 1 265 . 1 1 34 34 LYS HE2 H 1 2.9300 . . 2 . . . . 74 LYS HE2 . 26562 1 266 . 1 1 34 34 LYS CA C 13 53.2373 . . 1 . 67412 . . 74 LYS CA . 26562 1 267 . 1 1 34 34 LYS CB C 13 34.9334 . . 1 . 66503 . . 74 LYS CB . 26562 1 268 . 1 1 34 34 LYS CG C 13 23.5005 . . 1 . . . . 74 LYS CG . 26562 1 269 . 1 1 34 34 LYS CD C 13 27.9738 . . 1 . . . . 74 LYS CD . 26562 1 270 . 1 1 34 34 LYS CE C 13 41.9445 . . 1 . . . . 74 LYS CE . 26562 1 271 . 1 1 34 34 LYS N N 15 127.7015 . . 1 . 66345 . . 74 LYS N . 26562 1 272 . 1 1 35 35 ASP H H 1 7.8316 . . 1 . 66502 . . 75 ASP H . 26562 1 273 . 1 1 35 35 ASP HA H 1 4.8398 . . 1 . . . . 75 ASP HA . 26562 1 274 . 1 1 35 35 ASP HB2 H 1 2.3335 . . 2 . . . . 75 ASP HB2 . 26562 1 275 . 1 1 35 35 ASP CA C 13 53.2516 . . 1 . 68528 . . 75 ASP CA . 26562 1 276 . 1 1 35 35 ASP CB C 13 42.4379 . . 1 . 68548 . . 75 ASP CB . 26562 1 277 . 1 1 35 35 ASP N N 15 117.0915 . . 1 . 66504 . . 75 ASP N . 26562 1 278 . 1 1 36 36 CYS H H 1 8.8155 . . 1 . 68524 . . 76 CYS H . 26562 1 279 . 1 1 36 36 CYS HA H 1 5.1200 . . 1 . . . . 76 CYS HA . 26562 1 280 . 1 1 36 36 CYS HB2 H 1 3.7600 . . 2 . . . . 76 CYS HB2 . 26562 1 281 . 1 1 36 36 CYS HB3 H 1 2.7000 . . 2 . . . . 76 CYS HB3 . 26562 1 282 . 1 1 36 36 CYS CA C 13 52.3655 . . 1 . 68539 . . 76 CYS CA . 26562 1 283 . 1 1 36 36 CYS CB C 13 37.6293 . . 1 . 68542 . . 76 CYS CB . 26562 1 284 . 1 1 36 36 CYS N N 15 122.1108 . . 1 . 68526 . . 76 CYS N . 26562 1 285 . 1 1 37 37 PRO HA H 1 4.5652 . . 1 . . . . 77 PRO HA . 26562 1 286 . 1 1 37 37 PRO HB2 H 1 2.2662 . . 2 . . . . 77 PRO HB2 . 26562 1 287 . 1 1 37 37 PRO HG2 H 1 1.9559 . . 2 . . . . 77 PRO HG2 . 26562 1 288 . 1 1 37 37 PRO HD2 H 1 3.8953 . . 2 . . . . 77 PRO HD2 . 26562 1 289 . 1 1 37 37 PRO HD3 H 1 3.7098 . . 2 . . . . 77 PRO HD3 . 26562 1 290 . 1 1 37 37 PRO CA C 13 62.4700 . . 1 . . . . 77 PRO CA . 26562 1 291 . 1 1 37 37 PRO CB C 13 32.1700 . . 1 . . . . 77 PRO CB . 26562 1 292 . 1 1 37 37 PRO CG C 13 27.2300 . . 1 . . . . 77 PRO CG . 26562 1 293 . 1 1 37 37 PRO CD C 13 50.1900 . . 1 . . . . 77 PRO CD . 26562 1 294 . 1 1 38 38 GLY H H 1 8.8900 . . 1 . . . . 78 GLY H . 26562 1 295 . 1 1 38 38 GLY N N 15 111.6400 . . 1 . . . . 78 GLY N . 26562 1 296 . 1 1 39 39 ASN HA H 1 4.9146 . . 1 . . . . 79 ASN HA . 26562 1 297 . 1 1 39 39 ASN HB2 H 1 2.9400 . . 2 . . . . 79 ASN HB2 . 26562 1 298 . 1 1 39 39 ASN HB3 H 1 2.7000 . . 2 . . . . 79 ASN HB3 . 26562 1 299 . 1 1 39 39 ASN CA C 13 52.9831 . . 1 . 67196 . . 79 ASN CA . 26562 1 300 . 1 1 39 39 ASN CB C 13 38.7143 . . 1 . 70214 . . 79 ASN CB . 26562 1 301 . 1 1 40 40 THR H H 1 7.8014 . . 1 . 67568 . . 80 THR H . 26562 1 302 . 1 1 40 40 THR HA H 1 4.3650 . . 1 . . . . 80 THR HA . 26562 1 303 . 1 1 40 40 THR HB H 1 4.0800 . . 1 . . . . 80 THR HB . 26562 1 304 . 1 1 40 40 THR HG21 H 1 1.1755 . . 1 . . . . 80 THR HG21 . 26562 1 305 . 1 1 40 40 THR HG22 H 1 1.1755 . . 1 . . . . 80 THR HG21 . 26562 1 306 . 1 1 40 40 THR HG23 H 1 1.1755 . . 1 . . . . 80 THR HG21 . 26562 1 307 . 1 1 40 40 THR CA C 13 62.4638 . . 1 . 66980 . . 80 THR CA . 26562 1 308 . 1 1 40 40 THR CB C 13 71.1933 . . 1 . 66506 . . 80 THR CB . 26562 1 309 . 1 1 40 40 THR N N 15 110.4436 . . 1 . 67569 . . 80 THR N . 26562 1 310 . 1 1 41 41 ARG H H 1 9.1803 . . 1 . 67474 . . 81 ARG H . 26562 1 311 . 1 1 41 41 ARG HA H 1 4.9000 . . 1 . . . . 81 ARG HA . 26562 1 312 . 1 1 41 41 ARG HB2 H 1 1.6700 . . 2 . . . . 81 ARG HB2 . 26562 1 313 . 1 1 41 41 ARG HG2 H 1 1.1800 . . 2 . . . . 81 ARG HG2 . 26562 1 314 . 1 1 41 41 ARG HG3 H 1 1.4900 . . 2 . . . . 81 ARG HG3 . 26562 1 315 . 1 1 41 41 ARG HD2 H 1 3.1300 . . 2 . . . . 81 ARG HD2 . 26562 1 316 . 1 1 41 41 ARG CA C 13 54.5151 . . 1 . 68441 . . 81 ARG CA . 26562 1 317 . 1 1 41 41 ARG CB C 13 34.2145 . . 1 . 66185 . . 81 ARG CB . 26562 1 318 . 1 1 41 41 ARG CG C 13 27.0098 . . 1 . . . . 81 ARG CG . 26562 1 319 . 1 1 41 41 ARG CD C 13 43.5294 . . 1 . . . . 81 ARG CD . 26562 1 320 . 1 1 41 41 ARG N N 15 117.3959 . . 1 . 67475 . . 81 ARG N . 26562 1 321 . 1 1 42 42 TRP H H 1 8.9564 . . 1 . 68435 . . 82 TRP H . 26562 1 322 . 1 1 42 42 TRP HA H 1 4.3577 . . 1 . . . . 82 TRP HA . 26562 1 323 . 1 1 42 42 TRP HB2 H 1 3.1512 . . 2 . . . . 82 TRP HB2 . 26562 1 324 . 1 1 42 42 TRP HD1 H 1 7.0107 . . 1 . . . . 82 TRP HD1 . 26562 1 325 . 1 1 42 42 TRP HZ2 H 1 6.8874 . . 1 . . . . 82 TRP HZ2 . 26562 1 326 . 1 1 42 42 TRP CA C 13 58.7936 . . 1 . 67424 . . 82 TRP CA . 26562 1 327 . 1 1 42 42 TRP CB C 13 29.5866 . . 1 . 68436 . . 82 TRP CB . 26562 1 328 . 1 1 42 42 TRP CD1 C 13 124.9120 . . 1 . . . . 82 TRP CD1 . 26562 1 329 . 1 1 42 42 TRP CZ2 C 13 112.3348 . . 1 . . . . 82 TRP CZ2 . 26562 1 330 . 1 1 42 42 TRP N N 15 123.6976 . . 1 . 68437 . . 82 TRP N . 26562 1 331 . 1 1 43 43 ASN H H 1 7.6798 . . 1 . 66532 . . 83 ASN H . 26562 1 332 . 1 1 43 43 ASN HA H 1 4.5500 . . 1 . . . . 83 ASN HA . 26562 1 333 . 1 1 43 43 ASN HB2 H 1 2.7000 . . 2 . . . . 83 ASN HB2 . 26562 1 334 . 1 1 43 43 ASN HB3 H 1 2.5300 . . 2 . . . . 83 ASN HB3 . 26562 1 335 . 1 1 43 43 ASN CA C 13 51.5547 . . 1 . 67040 . . 83 ASN CA . 26562 1 336 . 1 1 43 43 ASN CB C 13 39.6584 . . 1 . 66290 . . 83 ASN CB . 26562 1 337 . 1 1 43 43 ASN N N 15 128.6496 . . 1 . 66534 . . 83 ASN N . 26562 1 338 . 1 1 44 44 GLU H H 1 8.7778 . . 1 . 66313 . . 84 GLU H . 26562 1 339 . 1 1 44 44 GLU HA H 1 3.7889 . . 1 . . . . 84 GLU HA . 26562 1 340 . 1 1 44 44 GLU HB2 H 1 1.9220 . . 2 . . . . 84 GLU HB2 . 26562 1 341 . 1 1 44 44 GLU HG2 H 1 2.5200 . . 2 . . . . 84 GLU HG2 . 26562 1 342 . 1 1 44 44 GLU CA C 13 58.7918 . . 1 . 70064 . . 84 GLU CA . 26562 1 343 . 1 1 44 44 GLU CB C 13 30.0477 . . 1 . 66293 . . 84 GLU CB . 26562 1 344 . 1 1 44 44 GLU CG C 13 35.0000 . . 1 . . . . 84 GLU CG . 26562 1 345 . 1 1 44 44 GLU N N 15 124.2897 . . 1 . 66315 . . 84 GLU N . 26562 1 346 . 1 1 45 45 ASP H H 1 7.8347 . . 1 . 70051 . . 85 ASP H . 26562 1 347 . 1 1 45 45 ASP HA H 1 4.3719 . . 1 . . . . 85 ASP HA . 26562 1 348 . 1 1 45 45 ASP HB2 H 1 2.6538 . . 2 . . . . 85 ASP HB2 . 26562 1 349 . 1 1 45 45 ASP CA C 13 56.9239 . . 1 . 67256 . . 85 ASP CA . 26562 1 350 . 1 1 45 45 ASP CB C 13 40.9379 . . 1 . 66578 . . 85 ASP CB . 26562 1 351 . 1 1 45 45 ASP N N 15 117.6738 . . 1 . 70053 . . 85 ASP N . 26562 1 352 . 1 1 46 46 GLU H H 1 7.1142 . . 1 . 66586 . . 86 GLU H . 26562 1 353 . 1 1 46 46 GLU HA H 1 4.0600 . . 1 . . . . 86 GLU HA . 26562 1 354 . 1 1 46 46 GLU HG2 H 1 2.3800 . . 2 . . . . 86 GLU HG2 . 26562 1 355 . 1 1 46 46 GLU HG3 H 1 2.2000 . . 2 . . . . 86 GLU HG3 . 26562 1 356 . 1 1 46 46 GLU CA C 13 55.5143 . . 1 . 66893 . . 86 GLU CA . 26562 1 357 . 1 1 46 46 GLU CB C 13 30.8404 . . 1 . 66584 . . 86 GLU CB . 26562 1 358 . 1 1 46 46 GLU CG C 13 35.9699 . . 1 . . . . 86 GLU CG . 26562 1 359 . 1 1 46 46 GLU N N 15 115.6811 . . 1 . 66588 . . 86 GLU N . 26562 1 360 . 1 1 47 47 GLU H H 1 7.6642 . . 1 . 66895 . . 87 GLU H . 26562 1 361 . 1 1 47 47 GLU HA H 1 2.8900 . . 1 . . . . 87 GLU HA . 26562 1 362 . 1 1 47 47 GLU CA C 13 56.9163 . . 1 . 66950 . . 87 GLU CA . 26562 1 363 . 1 1 47 47 GLU CB C 13 26.6384 . . 1 . 66536 . . 87 GLU CB . 26562 1 364 . 1 1 47 47 GLU CG C 13 37.2128 . . 1 . . . . 87 GLU CG . 26562 1 365 . 1 1 47 47 GLU N N 15 117.4505 . . 1 . 66897 . . 87 GLU N . 26562 1 366 . 1 1 48 48 THR H H 1 6.2280 . . 1 . 66619 . . 88 THR H . 26562 1 367 . 1 1 48 48 THR HA H 1 3.8600 . . 1 . . . . 88 THR HA . 26562 1 368 . 1 1 48 48 THR HB H 1 3.7700 . . 1 . . . . 88 THR HB . 26562 1 369 . 1 1 48 48 THR HG21 H 1 0.6918 . . 1 . . . . 88 THR HG21 . 26562 1 370 . 1 1 48 48 THR HG22 H 1 0.6918 . . 1 . . . . 88 THR HG21 . 26562 1 371 . 1 1 48 48 THR HG23 H 1 0.6918 . . 1 . . . . 88 THR HG21 . 26562 1 372 . 1 1 48 48 THR CA C 13 59.6793 . . 1 . 67205 . . 88 THR CA . 26562 1 373 . 1 1 48 48 THR CB C 13 69.2322 . . 1 . 66617 . . 88 THR CB . 26562 1 374 . 1 1 48 48 THR CG2 C 13 18.8058 . . 1 . . . . 88 THR CG2 . 26562 1 375 . 1 1 48 48 THR N N 15 108.5460 . . 1 . 66621 . . 88 THR N . 26562 1 376 . 1 1 49 49 CYS H H 1 7.6993 . . 1 . 67572 . . 89 CYS H . 26562 1 377 . 1 1 49 49 CYS HA H 1 5.1556 . . 1 . . . . 89 CYS HA . 26562 1 378 . 1 1 49 49 CYS HB2 H 1 3.1589 . . 2 . . . . 89 CYS HB2 . 26562 1 379 . 1 1 49 49 CYS CA C 13 56.2010 . . 1 . 66635 . . 89 CYS CA . 26562 1 380 . 1 1 49 49 CYS CB C 13 43.4339 . . 1 . 66638 . . 89 CYS CB . 26562 1 381 . 1 1 49 49 CYS N N 15 121.0444 . . 1 . 67573 . . 89 CYS N . 26562 1 382 . 1 1 50 50 THR H H 1 9.2515 . . 1 . 66172 . . 90 THR H . 26562 1 383 . 1 1 50 50 THR HA H 1 4.3300 . . 1 . . . . 90 THR HA . 26562 1 384 . 1 1 50 50 THR HB H 1 4.0700 . . 1 . . . . 90 THR HB . 26562 1 385 . 1 1 50 50 THR CA C 13 62.7560 . . 1 . 66167 . . 90 THR CA . 26562 1 386 . 1 1 50 50 THR CB C 13 71.4046 . . 1 . 66164 . . 90 THR CB . 26562 1 387 . 1 1 50 50 THR N N 15 121.8420 . . 1 . 66174 . . 90 THR N . 26562 1 stop_ save_