data_34926 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34926 _Entry.Title ; helix shuffled variant of domain B pf protein A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-07-05 _Entry.Accession_date 2024-07-05 _Entry.Last_release_date 2024-07-30 _Entry.Original_release_date 2024-07-30 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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 U. Weininger U. . . . 34926 2 H. Bobolowski H. . . . 34926 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'PROTEIN BINDING' . 34926 'three-helix bundle helix shuffled protein protein design' . 34926 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34926 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 193 34926 '15N chemical shifts' 60 34926 '1H chemical shifts' 397 34926 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2025-02-04 . original BMRB . 34926 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 9FZM 'BMRB Entry Tracking System' 34926 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34926 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 39840789 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A functional helix shuffled variant of the B domain of Staphylococcus aureus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full 'Protein science : a publication of the Protein Society' _Citation.Journal_volume 34 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1469-896X _Citation.Journal_CSD 0353 _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 e70012 _Citation.Page_last e70012 _Citation.Year 2025 _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 H. Bobolowski H. . . . 34926 1 2 E. Fiedler E. . . . 34926 1 3 U. Haupts U. . . . 34926 1 4 H. Lilie H. . . . 34926 1 5 U. Weininger U. . . . 34926 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34926 _Assembly.ID 1 _Assembly.Name 'B domain of protein A' _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 unit_1 1 $entity_1 A A yes . . . . . . 34926 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34926 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ADNKFSQSANLLAEAKKLND AQGGITEEQRNGFIQSLKDD AKTNPGNNKEQQNAFYEILH LPK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 63 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7011.666 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 34926 1 2 . ASP . 34926 1 3 . ASN . 34926 1 4 . LYS . 34926 1 5 . PHE . 34926 1 6 . SER . 34926 1 7 . GLN . 34926 1 8 . SER . 34926 1 9 . ALA . 34926 1 10 . ASN . 34926 1 11 . LEU . 34926 1 12 . LEU . 34926 1 13 . ALA . 34926 1 14 . GLU . 34926 1 15 . ALA . 34926 1 16 . LYS . 34926 1 17 . LYS . 34926 1 18 . LEU . 34926 1 19 . ASN . 34926 1 20 . ASP . 34926 1 21 . ALA . 34926 1 22 . GLN . 34926 1 23 . GLY . 34926 1 24 . GLY . 34926 1 25 . ILE . 34926 1 26 . THR . 34926 1 27 . GLU . 34926 1 28 . GLU . 34926 1 29 . GLN . 34926 1 30 . ARG . 34926 1 31 . ASN . 34926 1 32 . GLY . 34926 1 33 . PHE . 34926 1 34 . ILE . 34926 1 35 . GLN . 34926 1 36 . SER . 34926 1 37 . LEU . 34926 1 38 . LYS . 34926 1 39 . ASP . 34926 1 40 . ASP . 34926 1 41 . ALA . 34926 1 42 . LYS . 34926 1 43 . THR . 34926 1 44 . ASN . 34926 1 45 . PRO . 34926 1 46 . GLY . 34926 1 47 . ASN . 34926 1 48 . ASN . 34926 1 49 . LYS . 34926 1 50 . GLU . 34926 1 51 . GLN . 34926 1 52 . GLN . 34926 1 53 . ASN . 34926 1 54 . ALA . 34926 1 55 . PHE . 34926 1 56 . TYR . 34926 1 57 . GLU . 34926 1 58 . ILE . 34926 1 59 . LEU . 34926 1 60 . HIS . 34926 1 61 . LEU . 34926 1 62 . PRO . 34926 1 63 . LYS . 34926 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 . ALA 1 1 34926 1 . ASP 2 2 34926 1 . ASN 3 3 34926 1 . LYS 4 4 34926 1 . PHE 5 5 34926 1 . SER 6 6 34926 1 . GLN 7 7 34926 1 . SER 8 8 34926 1 . ALA 9 9 34926 1 . ASN 10 10 34926 1 . LEU 11 11 34926 1 . LEU 12 12 34926 1 . ALA 13 13 34926 1 . GLU 14 14 34926 1 . ALA 15 15 34926 1 . LYS 16 16 34926 1 . LYS 17 17 34926 1 . LEU 18 18 34926 1 . ASN 19 19 34926 1 . ASP 20 20 34926 1 . ALA 21 21 34926 1 . GLN 22 22 34926 1 . GLY 23 23 34926 1 . GLY 24 24 34926 1 . ILE 25 25 34926 1 . THR 26 26 34926 1 . GLU 27 27 34926 1 . GLU 28 28 34926 1 . GLN 29 29 34926 1 . ARG 30 30 34926 1 . ASN 31 31 34926 1 . GLY 32 32 34926 1 . PHE 33 33 34926 1 . ILE 34 34 34926 1 . GLN 35 35 34926 1 . SER 36 36 34926 1 . LEU 37 37 34926 1 . LYS 38 38 34926 1 . ASP 39 39 34926 1 . ASP 40 40 34926 1 . ALA 41 41 34926 1 . LYS 42 42 34926 1 . THR 43 43 34926 1 . ASN 44 44 34926 1 . PRO 45 45 34926 1 . GLY 46 46 34926 1 . ASN 47 47 34926 1 . ASN 48 48 34926 1 . LYS 49 49 34926 1 . GLU 50 50 34926 1 . GLN 51 51 34926 1 . GLN 52 52 34926 1 . ASN 53 53 34926 1 . ALA 54 54 34926 1 . PHE 55 55 34926 1 . TYR 56 56 34926 1 . GLU 57 57 34926 1 . ILE 58 58 34926 1 . LEU 59 59 34926 1 . HIS 60 60 34926 1 . LEU 61 61 34926 1 . PRO 62 62 34926 1 . LYS 63 63 34926 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 34926 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 1280 organism . 'Staphylococcus aureus' 'Staphylococcus aureus' . . Bacteria . Staphylococcus aureus . . . . . . . . . . . . . 34926 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 34926 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34926 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34926 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-100% 13C; U-100% 15N] B domain of protein A, 90% H2O/10% D2O' _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 'B domain of protein A' '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $entity_1 . . 0.5 . . mM . . . . 34926 1 2 NaCl 'natural abundance' . . . . . . 137 . . mM . . . . 34926 1 3 KCl 'natural abundance' . . . . . . 2.7 . . mM . . . . 34926 1 4 Na2HPO4 'natural abundance' . . . . . . 8 . . mM . . . . 34926 1 5 KH2PO4 'natural abundance' . . . . . . 2 . . mM . . . . 34926 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 34926 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 34926 1 pH 6.5 . pH 34926 1 pressure 1 . bar 34926 1 temperature 288.15 . K 34926 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34926 _Software.ID 1 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Johnson . . 34926 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34926 1 'peak picking' . 34926 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34926 _Software.ID 2 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34926 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34926 2 'structure calculation' . 34926 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34926 _Software.ID 3 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34926 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34926 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34926 _Software.ID 4 _Software.Type . _Software.Name TALOS+ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Cornilescu . . 34926 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'geometry optimization' . 34926 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34926 _Software.ID 5 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 34926 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34926 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34926 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 34926 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker 'AVANCE III' . 800 . . . 34926 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 34926 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34926 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34926 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34926 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34926 1 5 HN(CO)CACB no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34926 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34926 1 7 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34926 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34926 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34926 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34926 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34926 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251449530 . . . . . 34926 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.000000000 . . . . . 34926 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 34926 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34926 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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' . . . 34926 1 2 '2D 1H-13C HSQC aliphatic' . . . 34926 1 3 '2D 1H-13C HSQC aromatic' . . . 34926 1 4 '3D HNCACB' . . . 34926 1 5 HN(CO)CACB . . . 34926 1 6 '3D HCCH-TOCSY' . . . 34926 1 7 '3D 1H-15N TOCSY' . . . 34926 1 8 '3D 1H-15N NOESY' . . . 34926 1 9 '3D 1H-13C NOESY aliphatic' . . . 34926 1 10 '3D 1H-13C NOESY aromatic' . . . 34926 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 ALA HA H 1 4.435 0.01 . 1 . . . . A 1 ALA HA . 34926 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.505 0.01 . 1 . . . . A 1 ALA HB1 . 34926 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.505 0.01 . 1 . . . . A 1 ALA HB2 . 34926 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.505 0.01 . 1 . . . . A 1 ALA HB3 . 34926 1 5 . 1 . 1 1 1 ALA CA C 13 52.578 0.01 . 1 . . . . A 1 ALA CA . 34926 1 6 . 1 . 1 1 1 ALA CB C 13 19.607 0.01 . 1 . . . . A 1 ALA CB . 34926 1 7 . 1 . 1 2 2 ASP H H 1 8.114 0.01 . 1 . . . . A 2 ASP H . 34926 1 8 . 1 . 1 2 2 ASP HA H 1 4.631 0.01 . 1 . . . . A 2 ASP HA . 34926 1 9 . 1 . 1 2 2 ASP HB2 H 1 1.793 0.01 . 1 . . . . A 2 ASP HB2 . 34926 1 10 . 1 . 1 2 2 ASP HB3 H 1 2.765 0.01 . 1 . . . . A 2 ASP HB3 . 34926 1 11 . 1 . 1 2 2 ASP CA C 13 54.39 0.01 . 1 . . . . A 2 ASP CA . 34926 1 12 . 1 . 1 2 2 ASP CB C 13 41.473 0.01 . 1 . . . . A 2 ASP CB . 34926 1 13 . 1 . 1 3 3 ASN H H 1 8.563 0.01 . 1 . . . . A 3 ASN H . 34926 1 14 . 1 . 1 3 3 ASN HA H 1 4.656 0.01 . 1 . . . . A 3 ASN HA . 34926 1 15 . 1 . 1 3 3 ASN HB2 H 1 2.766 0.01 . 2 . . . . A 3 ASN HB2 . 34926 1 16 . 1 . 1 3 3 ASN HB3 H 1 2.766 0.01 . 2 . . . . A 3 ASN HB3 . 34926 1 17 . 1 . 1 3 3 ASN HD21 H 1 7.667 0.01 . 1 . . . . A 3 ASN HD21 . 34926 1 18 . 1 . 1 3 3 ASN HD22 H 1 6.984 0.01 . 1 . . . . A 3 ASN HD22 . 34926 1 19 . 1 . 1 3 3 ASN CA C 13 53.384 0.01 . 1 . . . . A 3 ASN CA . 34926 1 20 . 1 . 1 3 3 ASN CB C 13 38.937 0.01 . 1 . . . . A 3 ASN CB . 34926 1 21 . 1 . 1 3 3 ASN N N 15 119.914 0.01 . 1 . . . . A 3 ASN N . 34926 1 22 . 1 . 1 3 3 ASN ND2 N 15 113.023 0.01 . 1 . . . . A 3 ASN ND2 . 34926 1 23 . 1 . 1 4 4 LYS H H 1 8.42 0.01 . 5 1 . . . A 4 LYS H . 34926 1 24 . 1 . 1 4 4 LYS HA H 1 4.274 0.01 . 1 . . . . A 4 LYS HA . 34926 1 25 . 1 . 1 4 4 LYS HB2 H 1 1.793 0.01 . 2 . . . . A 4 LYS HB2 . 34926 1 26 . 1 . 1 4 4 LYS HB3 H 1 1.793 0.01 . 2 . . . . A 4 LYS HB3 . 34926 1 27 . 1 . 1 4 4 LYS HG2 H 1 1.429 0.01 . 2 . . . . A 4 LYS HG2 . 34926 1 28 . 1 . 1 4 4 LYS HG3 H 1 1.429 0.01 . 2 . . . . A 4 LYS HG3 . 34926 1 29 . 1 . 1 4 4 LYS HD2 H 1 1.635 0.01 . 2 . . . . A 4 LYS HD2 . 34926 1 30 . 1 . 1 4 4 LYS HD3 H 1 1.635 0.01 . 2 . . . . A 4 LYS HD3 . 34926 1 31 . 1 . 1 4 4 LYS CA C 13 57.042 0.01 . 1 . . . . A 4 LYS CA . 34926 1 32 . 1 . 1 4 4 LYS CB C 13 32.906 0.01 . 1 . . . . A 4 LYS CB . 34926 1 33 . 1 . 1 4 4 LYS CG C 13 23.026 0.01 . 1 . . . . A 4 LYS CG . 34926 1 34 . 1 . 1 4 4 LYS N N 15 121.511 0.01 . 5 2 . . . A 4 LYS N . 34926 1 35 . 1 . 1 5 5 PHE H H 1 8.264 0.01 . 1 . . . . A 5 PHE H . 34926 1 36 . 1 . 1 5 5 PHE HA H 1 4.638 0.01 . 1 . . . . A 5 PHE HA . 34926 1 37 . 1 . 1 5 5 PHE HB2 H 1 3.186 0.01 . 1 . . . . A 5 PHE HB2 . 34926 1 38 . 1 . 1 5 5 PHE HB3 H 1 3.025 0.01 . 1 . . . . A 5 PHE HB3 . 34926 1 39 . 1 . 1 5 5 PHE HD1 H 1 7.255 0.01 . . . . . . A 5 PHE HD1 . 34926 1 40 . 1 . 1 5 5 PHE HD2 H 1 7.255 0.01 . . . . . . A 5 PHE HD2 . 34926 1 41 . 1 . 1 5 5 PHE HE1 H 1 7.345 0.01 . . . . . . A 5 PHE HE1 . 34926 1 42 . 1 . 1 5 5 PHE HE2 H 1 7.345 0.01 . . . . . . A 5 PHE HE2 . 34926 1 43 . 1 . 1 5 5 PHE HZ H 1 7.29 0.01 . 1 . . . . A 5 PHE HZ . 34926 1 44 . 1 . 1 5 5 PHE CA C 13 57.994 0.01 . 1 . . . . A 5 PHE CA . 34926 1 45 . 1 . 1 5 5 PHE CB C 13 39.465 0.01 . 1 . . . . A 5 PHE CB . 34926 1 46 . 1 . 1 5 5 PHE CD1 C 13 131.95 0.01 . . . . . . A 5 PHE CD1 . 34926 1 47 . 1 . 1 5 5 PHE CD2 C 13 131.95 0.01 . . . . . . A 5 PHE CD2 . 34926 1 48 . 1 . 1 5 5 PHE CE1 C 13 131.581 0.01 . . . . . . A 5 PHE CE1 . 34926 1 49 . 1 . 1 5 5 PHE CE2 C 13 131.581 0.01 . . . . . . A 5 PHE CE2 . 34926 1 50 . 1 . 1 5 5 PHE CZ C 13 129.908 0.01 . 5 3 . . . A 5 PHE CZ . 34926 1 51 . 1 . 1 5 5 PHE N N 15 120.444 0.01 . 5 2 . . . A 5 PHE N . 34926 1 52 . 1 . 1 6 6 SER H H 1 8.175 0.01 . 1 . . . . A 6 SER H . 34926 1 53 . 1 . 1 6 6 SER HA H 1 4.403 0.01 . 1 . . . . A 6 SER HA . 34926 1 54 . 1 . 1 6 6 SER HB2 H 1 3.821 0.01 . 2 . . . . A 6 SER HB2 . 34926 1 55 . 1 . 1 6 6 SER HB3 H 1 3.821 0.01 . 2 . . . . A 6 SER HB3 . 34926 1 56 . 1 . 1 6 6 SER CA C 13 58.368 0.01 . 1 . . . . A 6 SER CA . 34926 1 57 . 1 . 1 6 6 SER CB C 13 63.924 0.01 . 1 . . . . A 6 SER CB . 34926 1 58 . 1 . 1 6 6 SER N N 15 117.258 0.01 . 1 . . . . A 6 SER N . 34926 1 59 . 1 . 1 7 7 GLN H H 1 8.485 0.01 . 1 . . . . A 7 GLN H . 34926 1 60 . 1 . 1 7 7 GLN HA H 1 4.337 0.01 . 1 . . . . A 7 GLN HA . 34926 1 61 . 1 . 1 7 7 GLN HB2 H 1 2.154 0.01 . 1 . . . . A 7 GLN HB2 . 34926 1 62 . 1 . 1 7 7 GLN HB3 H 1 2.016 0.01 . 1 . . . . A 7 GLN HB3 . 34926 1 63 . 1 . 1 7 7 GLN HG2 H 1 2.385 0.01 . 2 . . . . A 7 GLN HG2 . 34926 1 64 . 1 . 1 7 7 GLN HG3 H 1 2.385 0.01 . 2 . . . . A 7 GLN HG3 . 34926 1 65 . 1 . 1 7 7 GLN CA C 13 56.667 0.01 . 1 . . . . A 7 GLN CA . 34926 1 66 . 1 . 1 7 7 GLN CB C 13 29.299 0.01 . 1 . . . . A 7 GLN CB . 34926 1 67 . 1 . 1 7 7 GLN CG C 13 33.92 0.01 . 1 . . . . A 7 GLN CG . 34926 1 68 . 1 . 1 7 7 GLN N N 15 122.668 0.01 . 1 . . . . A 7 GLN N . 34926 1 69 . 1 . 1 8 8 SER H H 1 8.347 0.01 . 5 1 . . . A 8 SER H . 34926 1 70 . 1 . 1 8 8 SER HA H 1 4.348 0.01 . 1 . . . . A 8 SER HA . 34926 1 71 . 1 . 1 8 8 SER HB2 H 1 3.858 0.01 . 2 . . . . A 8 SER HB2 . 34926 1 72 . 1 . 1 8 8 SER HB3 H 1 3.858 0.01 . 2 . . . . A 8 SER HB3 . 34926 1 73 . 1 . 1 8 8 SER CA C 13 59.212 0.01 . 1 . . . . A 8 SER CA . 34926 1 74 . 1 . 1 8 8 SER CB C 13 63.572 0.01 . 1 . . . . A 8 SER CB . 34926 1 75 . 1 . 1 8 8 SER N N 15 116.474 0.01 . 5 2 . . . A 8 SER N . 34926 1 76 . 1 . 1 9 9 ALA H H 1 8.314 0.01 . 1 . . . . A 9 ALA H . 34926 1 77 . 1 . 1 9 9 ALA HA H 1 4.194 0.01 . 1 . . . . A 9 ALA HA . 34926 1 78 . 1 . 1 9 9 ALA HB1 H 1 1.394 0.01 . 1 . . . . A 9 ALA HB1 . 34926 1 79 . 1 . 1 9 9 ALA HB2 H 1 1.394 0.01 . 1 . . . . A 9 ALA HB2 . 34926 1 80 . 1 . 1 9 9 ALA HB3 H 1 1.394 0.01 . 1 . . . . A 9 ALA HB3 . 34926 1 81 . 1 . 1 9 9 ALA CA C 13 53.78 0.01 . 1 . . . . A 9 ALA CA . 34926 1 82 . 1 . 1 9 9 ALA CB C 13 18.939 0.01 . 1 . . . . A 9 ALA CB . 34926 1 83 . 1 . 1 9 9 ALA N N 15 125.425 0.01 . 1 . . . . A 9 ALA N . 34926 1 84 . 1 . 1 10 10 ASN H H 1 8.32 0.01 . 1 . . . . A 10 ASN H . 34926 1 85 . 1 . 1 10 10 ASN HA H 1 4.616 0.01 . 1 . . . . A 10 ASN HA . 34926 1 86 . 1 . 1 10 10 ASN HB2 H 1 2.864 0.01 . 2 . . . . A 10 ASN HB2 . 34926 1 87 . 1 . 1 10 10 ASN HB3 H 1 2.864 0.01 . 2 . . . . A 10 ASN HB3 . 34926 1 88 . 1 . 1 10 10 ASN HD21 H 1 7.667 0.01 . 1 . . . . A 10 ASN HD21 . 34926 1 89 . 1 . 1 10 10 ASN HD22 H 1 6.984 0.01 . 1 . . . . A 10 ASN HD22 . 34926 1 90 . 1 . 1 10 10 ASN CA C 13 54.07 0.01 . 1 . . . . A 10 ASN CA . 34926 1 91 . 1 . 1 10 10 ASN CB C 13 38.508 0.01 . 1 . . . . A 10 ASN CB . 34926 1 92 . 1 . 1 10 10 ASN N N 15 117.962 0.01 . 1 . . . . A 10 ASN N . 34926 1 93 . 1 . 1 10 10 ASN ND2 N 15 113.023 0.01 . 1 . . . . A 10 ASN ND2 . 34926 1 94 . 1 . 1 11 11 LEU H H 1 8.136 0.01 . 1 . . . . A 11 LEU H . 34926 1 95 . 1 . 1 11 11 LEU HA H 1 4.262 0.01 . 1 . . . . A 11 LEU HA . 34926 1 96 . 1 . 1 11 11 LEU HB2 H 1 1.673 0.01 . 2 . . . . A 11 LEU HB2 . 34926 1 97 . 1 . 1 11 11 LEU HB3 H 1 1.673 0.01 . 2 . . . . A 11 LEU HB3 . 34926 1 98 . 1 . 1 11 11 LEU HG H 1 1.657 0.01 . 1 . . . . A 11 LEU HG . 34926 1 99 . 1 . 1 11 11 LEU HD11 H 1 0.909 0.01 . 1 . . . . A 11 LEU HD11 . 34926 1 100 . 1 . 1 11 11 LEU HD12 H 1 0.909 0.01 . 1 . . . . A 11 LEU HD12 . 34926 1 101 . 1 . 1 11 11 LEU HD13 H 1 0.909 0.01 . 1 . . . . A 11 LEU HD13 . 34926 1 102 . 1 . 1 11 11 LEU HD21 H 1 0.893 0.01 . 1 . . . . A 11 LEU HD21 . 34926 1 103 . 1 . 1 11 11 LEU HD22 H 1 0.893 0.01 . 1 . . . . A 11 LEU HD22 . 34926 1 104 . 1 . 1 11 11 LEU HD23 H 1 0.893 0.01 . 1 . . . . A 11 LEU HD23 . 34926 1 105 . 1 . 1 11 11 LEU CA C 13 56.828 0.01 . 1 . . . . A 11 LEU CA . 34926 1 106 . 1 . 1 11 11 LEU CB C 13 41.988 0.01 . 1 . . . . A 11 LEU CB . 34926 1 107 . 1 . 1 11 11 LEU CG C 13 27.095 0.01 . 1 . . . . A 11 LEU CG . 34926 1 108 . 1 . 1 11 11 LEU CD1 C 13 24.959 0.01 . 1 . . . . A 11 LEU CD1 . 34926 1 109 . 1 . 1 11 11 LEU CD2 C 13 23.535 0.01 . 1 . . . . A 11 LEU CD2 . 34926 1 110 . 1 . 1 11 11 LEU N N 15 122.183 0.01 . 1 . . . . A 11 LEU N . 34926 1 111 . 1 . 1 12 12 LEU H H 1 8.082 0.01 . 1 . . . . A 12 LEU H . 34926 1 112 . 1 . 1 12 12 LEU HA H 1 4.217 0.01 . 1 . . . . A 12 LEU HA . 34926 1 113 . 1 . 1 12 12 LEU HB2 H 1 1.599 0.01 . 1 . . . . A 12 LEU HB2 . 34926 1 114 . 1 . 1 12 12 LEU HB3 H 1 1.505 0.01 . 1 . . . . A 12 LEU HB3 . 34926 1 115 . 1 . 1 12 12 LEU HG H 1 1.657 0.01 . 1 . . . . A 12 LEU HG . 34926 1 116 . 1 . 1 12 12 LEU HD11 H 1 0.921 0.01 . 1 . . . . A 12 LEU HD11 . 34926 1 117 . 1 . 1 12 12 LEU HD12 H 1 0.921 0.01 . 1 . . . . A 12 LEU HD12 . 34926 1 118 . 1 . 1 12 12 LEU HD13 H 1 0.921 0.01 . 1 . . . . A 12 LEU HD13 . 34926 1 119 . 1 . 1 12 12 LEU HD21 H 1 0.893 0.01 . 1 . . . . A 12 LEU HD21 . 34926 1 120 . 1 . 1 12 12 LEU HD22 H 1 0.893 0.01 . 1 . . . . A 12 LEU HD22 . 34926 1 121 . 1 . 1 12 12 LEU HD23 H 1 0.893 0.01 . 1 . . . . A 12 LEU HD23 . 34926 1 122 . 1 . 1 12 12 LEU CA C 13 56.442 0.01 . 1 . . . . A 12 LEU CA . 34926 1 123 . 1 . 1 12 12 LEU CB C 13 41.64 0.01 . 1 . . . . A 12 LEU CB . 34926 1 124 . 1 . 1 12 12 LEU CG C 13 27.095 0.01 . 1 . . . . A 12 LEU CG . 34926 1 125 . 1 . 1 12 12 LEU CD1 C 13 25.356 0.01 . 1 . . . . A 12 LEU CD1 . 34926 1 126 . 1 . 1 12 12 LEU CD2 C 13 23.535 0.01 . 1 . . . . A 12 LEU CD2 . 34926 1 127 . 1 . 1 12 12 LEU N N 15 121.168 0.01 . 1 . . . . A 12 LEU N . 34926 1 128 . 1 . 1 13 13 ALA H H 1 8.031 0.01 . 1 . . . . A 13 ALA H . 34926 1 129 . 1 . 1 13 13 ALA HA H 1 4.178 0.01 . 1 . . . . A 13 ALA HA . 34926 1 130 . 1 . 1 13 13 ALA HB1 H 1 1.433 0.01 . 1 . . . . A 13 ALA HB1 . 34926 1 131 . 1 . 1 13 13 ALA HB2 H 1 1.433 0.01 . 1 . . . . A 13 ALA HB2 . 34926 1 132 . 1 . 1 13 13 ALA HB3 H 1 1.433 0.01 . 1 . . . . A 13 ALA HB3 . 34926 1 133 . 1 . 1 13 13 ALA CA C 13 53.89 0.01 . 1 . . . . A 13 ALA CA . 34926 1 134 . 1 . 1 13 13 ALA CB C 13 18.773 0.01 . 1 . . . . A 13 ALA CB . 34926 1 135 . 1 . 1 13 13 ALA N N 15 123.022 0.01 . 1 . . . . A 13 ALA N . 34926 1 136 . 1 . 1 14 14 GLU H H 1 8.231 0.01 . 1 . . . . A 14 GLU H . 34926 1 137 . 1 . 1 14 14 GLU HA H 1 4.133 0.01 . 1 . . . . A 14 GLU HA . 34926 1 138 . 1 . 1 14 14 GLU HB2 H 1 2.017 0.01 . 2 . . . . A 14 GLU HB2 . 34926 1 139 . 1 . 1 14 14 GLU HB3 H 1 2.017 0.01 . 2 . . . . A 14 GLU HB3 . 34926 1 140 . 1 . 1 14 14 GLU HG2 H 1 2.289 0.01 . 2 . . . . A 14 GLU HG2 . 34926 1 141 . 1 . 1 14 14 GLU HG3 H 1 2.289 0.01 . 2 . . . . A 14 GLU HG3 . 34926 1 142 . 1 . 1 14 14 GLU CA C 13 57.777 0.01 . 1 . . . . A 14 GLU CA . 34926 1 143 . 1 . 1 14 14 GLU CB C 13 29.929 0.01 . 1 . . . . A 14 GLU CB . 34926 1 144 . 1 . 1 14 14 GLU CG C 13 36.306 0.01 . 1 . . . . A 14 GLU CG . 34926 1 145 . 1 . 1 14 14 GLU N N 15 119.529 0.01 . 1 . . . . A 14 GLU N . 34926 1 146 . 1 . 1 15 15 ALA H H 1 8.159 0.01 . 1 . . . . A 15 ALA H . 34926 1 147 . 1 . 1 15 15 ALA HA H 1 4.194 0.01 . 1 . . . . A 15 ALA HA . 34926 1 148 . 1 . 1 15 15 ALA HB1 H 1 1.41 0.01 . 1 . . . . A 15 ALA HB1 . 34926 1 149 . 1 . 1 15 15 ALA HB2 H 1 1.41 0.01 . 1 . . . . A 15 ALA HB2 . 34926 1 150 . 1 . 1 15 15 ALA HB3 H 1 1.41 0.01 . 1 . . . . A 15 ALA HB3 . 34926 1 151 . 1 . 1 15 15 ALA CA C 13 53.47 0.01 . 1 . . . . A 15 ALA CA . 34926 1 152 . 1 . 1 15 15 ALA CB C 13 18.975 0.01 . 1 . . . . A 15 ALA CB . 34926 1 153 . 1 . 1 15 15 ALA N N 15 124.044 0.01 . 1 . . . . A 15 ALA N . 34926 1 154 . 1 . 1 16 16 LYS H H 1 8.149 0.01 . 1 . . . . A 16 LYS H . 34926 1 155 . 1 . 1 16 16 LYS HA H 1 4.182 0.01 . 1 . . . . A 16 LYS HA . 34926 1 156 . 1 . 1 16 16 LYS HB2 H 1 1.822 0.01 . 2 . . . . A 16 LYS HB2 . 34926 1 157 . 1 . 1 16 16 LYS HB3 H 1 1.822 0.01 . 2 . . . . A 16 LYS HB3 . 34926 1 158 . 1 . 1 16 16 LYS HG2 H 1 1.438 0.01 . 2 . . . . A 16 LYS HG2 . 34926 1 159 . 1 . 1 16 16 LYS HG3 H 1 1.438 0.01 . 2 . . . . A 16 LYS HG3 . 34926 1 160 . 1 . 1 16 16 LYS CA C 13 57.489 0.01 . 1 . . . . A 16 LYS CA . 34926 1 161 . 1 . 1 16 16 LYS CB C 13 32.942 0.01 . 1 . . . . A 16 LYS CB . 34926 1 162 . 1 . 1 16 16 LYS CG C 13 24.966 0.01 . 1 . . . . A 16 LYS CG . 34926 1 163 . 1 . 1 16 16 LYS N N 15 119.602 0.01 . 1 . . . . A 16 LYS N . 34926 1 164 . 1 . 1 17 17 LYS HA H 1 4.279 0.01 . 1 . . . . A 17 LYS HA . 34926 1 165 . 1 . 1 17 17 LYS HB2 H 1 1.837 0.01 . 2 . . . . A 17 LYS HB2 . 34926 1 166 . 1 . 1 17 17 LYS HB3 H 1 1.837 0.01 . 2 . . . . A 17 LYS HB3 . 34926 1 167 . 1 . 1 17 17 LYS HG2 H 1 1.657 0.01 . 2 . . . . A 17 LYS HG2 . 34926 1 168 . 1 . 1 17 17 LYS HG3 H 1 1.657 0.01 . 2 . . . . A 17 LYS HG3 . 34926 1 169 . 1 . 1 17 17 LYS CA C 13 57.014 0.01 . 1 . . . . A 17 LYS CA . 34926 1 170 . 1 . 1 17 17 LYS CB C 13 32.861 0.01 . 1 . . . . A 17 LYS CB . 34926 1 171 . 1 . 1 17 17 LYS CG C 13 27.095 0.01 . 1 . . . . A 17 LYS CG . 34926 1 172 . 1 . 1 18 18 LEU H H 1 8.153 0.01 . 1 . . . . A 18 LEU H . 34926 1 173 . 1 . 1 18 18 LEU HA H 1 4.272 0.01 . 1 . . . . A 18 LEU HA . 34926 1 174 . 1 . 1 18 18 LEU HB2 H 1 1.702 0.01 . 1 . . . . A 18 LEU HB2 . 34926 1 175 . 1 . 1 18 18 LEU HB3 H 1 1.599 0.01 . 1 . . . . A 18 LEU HB3 . 34926 1 176 . 1 . 1 18 18 LEU HG H 1 1.657 0.01 . 1 . . . . A 18 LEU HG . 34926 1 177 . 1 . 1 18 18 LEU HD11 H 1 0.93 0.01 . 1 . . . . A 18 LEU HD11 . 34926 1 178 . 1 . 1 18 18 LEU HD12 H 1 0.93 0.01 . 1 . . . . A 18 LEU HD12 . 34926 1 179 . 1 . 1 18 18 LEU HD13 H 1 0.93 0.01 . 1 . . . . A 18 LEU HD13 . 34926 1 180 . 1 . 1 18 18 LEU HD21 H 1 0.893 0.01 . 1 . . . . A 18 LEU HD21 . 34926 1 181 . 1 . 1 18 18 LEU HD22 H 1 0.893 0.01 . 1 . . . . A 18 LEU HD22 . 34926 1 182 . 1 . 1 18 18 LEU HD23 H 1 0.893 0.01 . 1 . . . . A 18 LEU HD23 . 34926 1 183 . 1 . 1 18 18 LEU CA C 13 56.002 0.01 . 1 . . . . A 18 LEU CA . 34926 1 184 . 1 . 1 18 18 LEU CB C 13 42.333 0.01 . 1 . . . . A 18 LEU CB . 34926 1 185 . 1 . 1 18 18 LEU CG C 13 27.095 0.01 . 1 . . . . A 18 LEU CG . 34926 1 186 . 1 . 1 18 18 LEU CD1 C 13 24.959 0.01 . 1 . . . . A 18 LEU CD1 . 34926 1 187 . 1 . 1 18 18 LEU CD2 C 13 23.535 0.01 . 1 . . . . A 18 LEU CD2 . 34926 1 188 . 1 . 1 18 18 LEU N N 15 122.265 0.01 . 1 . . . . A 18 LEU N . 34926 1 189 . 1 . 1 19 19 ASN H H 1 8.377 0.01 . 1 . . . . A 19 ASN H . 34926 1 190 . 1 . 1 19 19 ASN HA H 1 4.598 0.01 . 1 . . . . A 19 ASN HA . 34926 1 191 . 1 . 1 19 19 ASN HB2 H 1 2.848 0.01 . 2 . . . . A 19 ASN HB2 . 34926 1 192 . 1 . 1 19 19 ASN HB3 H 1 2.848 0.01 . 2 . . . . A 19 ASN HB3 . 34926 1 193 . 1 . 1 19 19 ASN HD21 H 1 7.716 0.01 . 1 . . . . A 19 ASN HD21 . 34926 1 194 . 1 . 1 19 19 ASN HD22 H 1 6.993 0.01 . 1 . . . . A 19 ASN HD22 . 34926 1 195 . 1 . 1 19 19 ASN CA C 13 54.383 0.01 . 1 . . . . A 19 ASN CA . 34926 1 196 . 1 . 1 19 19 ASN CB C 13 39.21 0.01 . 1 . . . . A 19 ASN CB . 34926 1 197 . 1 . 1 19 19 ASN N N 15 118.684 0.01 . 1 . . . . A 19 ASN N . 34926 1 198 . 1 . 1 19 19 ASN ND2 N 15 113.306 0.01 . 1 . . . . A 19 ASN ND2 . 34926 1 199 . 1 . 1 20 20 ASP H H 1 8.348 0.01 . 1 . . . . A 20 ASP H . 34926 1 200 . 1 . 1 20 20 ASP HA H 1 4.523 0.01 . 1 . . . . A 20 ASP HA . 34926 1 201 . 1 . 1 20 20 ASP HB2 H 1 2.683 0.01 . 2 . . . . A 20 ASP HB2 . 34926 1 202 . 1 . 1 20 20 ASP HB3 H 1 2.683 0.01 . 2 . . . . A 20 ASP HB3 . 34926 1 203 . 1 . 1 20 20 ASP CA C 13 55.173 0.01 . 1 . . . . A 20 ASP CA . 34926 1 204 . 1 . 1 20 20 ASP CB C 13 41.051 0.01 . 1 . . . . A 20 ASP CB . 34926 1 205 . 1 . 1 20 20 ASP N N 15 120.489 0.01 . 1 . . . . A 20 ASP N . 34926 1 206 . 1 . 1 21 21 ALA H H 1 8.147 0.01 . 1 . . . . A 21 ALA H . 34926 1 207 . 1 . 1 21 21 ALA HA H 1 4.249 0.01 . 1 . . . . A 21 ALA HA . 34926 1 208 . 1 . 1 21 21 ALA HB1 H 1 1.439 0.01 . 1 . . . . A 21 ALA HB1 . 34926 1 209 . 1 . 1 21 21 ALA HB2 H 1 1.439 0.01 . 1 . . . . A 21 ALA HB2 . 34926 1 210 . 1 . 1 21 21 ALA HB3 H 1 1.439 0.01 . 1 . . . . A 21 ALA HB3 . 34926 1 211 . 1 . 1 21 21 ALA CA C 13 53.45 0.01 . 1 . . . . A 21 ALA CA . 34926 1 212 . 1 . 1 21 21 ALA CB C 13 19.09 0.01 . 1 . . . . A 21 ALA CB . 34926 1 213 . 1 . 1 21 21 ALA N N 15 123.448 0.01 . 1 . . . . A 21 ALA N . 34926 1 214 . 1 . 1 22 22 GLN HA H 1 4.301 0.01 . 1 . . . . A 22 GLN HA . 34926 1 215 . 1 . 1 22 22 GLN HB2 H 1 2.097 0.01 . 2 . . . . A 22 GLN HB2 . 34926 1 216 . 1 . 1 22 22 GLN HB3 H 1 2.097 0.01 . 2 . . . . A 22 GLN HB3 . 34926 1 217 . 1 . 1 22 22 GLN HG2 H 1 2.373 0.01 . 2 . . . . A 22 GLN HG2 . 34926 1 218 . 1 . 1 22 22 GLN HG3 H 1 2.373 0.01 . 2 . . . . A 22 GLN HG3 . 34926 1 219 . 1 . 1 22 22 GLN HE21 H 1 7.574 0.01 . 1 . . . . A 22 GLN HE21 . 34926 1 220 . 1 . 1 22 22 GLN HE22 H 1 6.884 0.01 . 1 . . . . A 22 GLN HE22 . 34926 1 221 . 1 . 1 22 22 GLN CA C 13 56.343 0.01 . 1 . . . . A 22 GLN CA . 34926 1 222 . 1 . 1 22 22 GLN CB C 13 29.221 0.01 . 1 . . . . A 22 GLN CB . 34926 1 223 . 1 . 1 22 22 GLN CG C 13 34.29 0.01 . 1 . . . . A 22 GLN CG . 34926 1 224 . 1 . 1 22 22 GLN NE2 N 15 111.998 0.01 . 1 . . . . A 22 GLN NE2 . 34926 1 225 . 1 . 1 23 23 GLY H H 1 8.339 0.01 . 1 . . . . A 23 GLY H . 34926 1 226 . 1 . 1 23 23 GLY HA2 H 1 3.963 0.01 . 2 . . . . A 23 GLY HA2 . 34926 1 227 . 1 . 1 23 23 GLY HA3 H 1 3.963 0.01 . 2 . . . . A 23 GLY HA3 . 34926 1 228 . 1 . 1 23 23 GLY CA C 13 45.716 0.01 . 1 . . . . A 23 GLY CA . 34926 1 229 . 1 . 1 23 23 GLY N N 15 109.473 0.01 . 1 . . . . A 23 GLY N . 34926 1 230 . 1 . 1 24 24 GLY H H 1 8.236 0.01 . 1 . . . . A 24 GLY H . 34926 1 231 . 1 . 1 24 24 GLY HA2 H 1 3.989 0.01 . 2 . . . . A 24 GLY HA2 . 34926 1 232 . 1 . 1 24 24 GLY HA3 H 1 3.989 0.01 . 2 . . . . A 24 GLY HA3 . 34926 1 233 . 1 . 1 24 24 GLY CA C 13 45.246 0.01 . 1 . . . . A 24 GLY CA . 34926 1 234 . 1 . 1 24 24 GLY N N 15 108.877 0.01 . 1 . . . . A 24 GLY N . 34926 1 235 . 1 . 1 25 25 ILE H H 1 8.087 0.01 . 1 . . . . A 25 ILE H . 34926 1 236 . 1 . 1 25 25 ILE HA H 1 4.339 0.01 . 1 . . . . A 25 ILE HA . 34926 1 237 . 1 . 1 25 25 ILE HB H 1 1.902 0.01 . 1 . . . . A 25 ILE HB . 34926 1 238 . 1 . 1 25 25 ILE HG12 H 1 1.465 0.01 . 1 . . . . A 25 ILE HG12 . 34926 1 239 . 1 . 1 25 25 ILE HG13 H 1 1.197 0.01 . 1 . . . . A 25 ILE HG13 . 34926 1 240 . 1 . 1 25 25 ILE HG21 H 1 0.917 0.01 . 1 . . . . A 25 ILE HG21 . 34926 1 241 . 1 . 1 25 25 ILE HG22 H 1 0.917 0.01 . 1 . . . . A 25 ILE HG22 . 34926 1 242 . 1 . 1 25 25 ILE HG23 H 1 0.917 0.01 . 1 . . . . A 25 ILE HG23 . 34926 1 243 . 1 . 1 25 25 ILE HD11 H 1 0.839 0.01 . 1 . . . . A 25 ILE HD11 . 34926 1 244 . 1 . 1 25 25 ILE HD12 H 1 0.839 0.01 . 1 . . . . A 25 ILE HD12 . 34926 1 245 . 1 . 1 25 25 ILE HD13 H 1 0.839 0.01 . 1 . . . . A 25 ILE HD13 . 34926 1 246 . 1 . 1 25 25 ILE CA C 13 61.081 0.01 . 1 . . . . A 25 ILE CA . 34926 1 247 . 1 . 1 25 25 ILE CB C 13 39.256 0.01 . 1 . . . . A 25 ILE CB . 34926 1 248 . 1 . 1 25 25 ILE CG1 C 13 27.235 0.01 . 1 . . . . A 25 ILE CG1 . 34926 1 249 . 1 . 1 25 25 ILE CG2 C 13 17.655 0.01 . 1 . . . . A 25 ILE CG2 . 34926 1 250 . 1 . 1 25 25 ILE CD1 C 13 12.858 0.01 . 1 . . . . A 25 ILE CD1 . 34926 1 251 . 1 . 1 25 25 ILE N N 15 119.3 0.01 . 1 . . . . A 25 ILE N . 34926 1 252 . 1 . 1 26 26 THR H H 1 8.337 0.01 . 1 . . . . A 26 THR H . 34926 1 253 . 1 . 1 26 26 THR HA H 1 4.402 0.01 . 1 . . . . A 26 THR HA . 34926 1 254 . 1 . 1 26 26 THR HB H 1 4.462 0.01 . 1 . . . . A 26 THR HB . 34926 1 255 . 1 . 1 26 26 THR HG21 H 1 1.239 0.01 . 1 . . . . A 26 THR HG21 . 34926 1 256 . 1 . 1 26 26 THR HG22 H 1 1.239 0.01 . 1 . . . . A 26 THR HG22 . 34926 1 257 . 1 . 1 26 26 THR HG23 H 1 1.239 0.01 . 1 . . . . A 26 THR HG23 . 34926 1 258 . 1 . 1 26 26 THR CA C 13 61.587 0.01 . 1 . . . . A 26 THR CA . 34926 1 259 . 1 . 1 26 26 THR CB C 13 70.63 0.01 . 1 . . . . A 26 THR CB . 34926 1 260 . 1 . 1 26 26 THR CG2 C 13 21.848 0.01 . 1 . . . . A 26 THR CG2 . 34926 1 261 . 1 . 1 26 26 THR N N 15 117.732 0.01 . 1 . . . . A 26 THR N . 34926 1 262 . 1 . 1 27 27 GLU H H 1 8.735 0.01 . 1 . . . . A 27 GLU H . 34926 1 263 . 1 . 1 27 27 GLU HA H 1 4.118 0.01 . 1 . . . . A 27 GLU HA . 34926 1 264 . 1 . 1 27 27 GLU HB2 H 1 2.005 0.01 . 2 . . . . A 27 GLU HB2 . 34926 1 265 . 1 . 1 27 27 GLU HB3 H 1 2.005 0.01 . 2 . . . . A 27 GLU HB3 . 34926 1 266 . 1 . 1 27 27 GLU HG2 H 1 2.284 0.01 . 2 . . . . A 27 GLU HG2 . 34926 1 267 . 1 . 1 27 27 GLU HG3 H 1 2.284 0.01 . 2 . . . . A 27 GLU HG3 . 34926 1 268 . 1 . 1 27 27 GLU CA C 13 58.306 0.01 . 1 . . . . A 27 GLU CA . 34926 1 269 . 1 . 1 27 27 GLU CB C 13 29.909 0.01 . 1 . . . . A 27 GLU CB . 34926 1 270 . 1 . 1 27 27 GLU CG C 13 36.316 0.01 . 1 . . . . A 27 GLU CG . 34926 1 271 . 1 . 1 27 27 GLU N N 15 122.634 0.01 . 1 . . . . A 27 GLU N . 34926 1 272 . 1 . 1 28 28 GLU H H 1 8.557 0.01 . 1 . . . . A 28 GLU H . 34926 1 273 . 1 . 1 28 28 GLU HA H 1 4.127 0.01 . 1 . . . . A 28 GLU HA . 34926 1 274 . 1 . 1 28 28 GLU HB2 H 1 1.983 0.01 . 2 . . . . A 28 GLU HB2 . 34926 1 275 . 1 . 1 28 28 GLU HB3 H 1 1.983 0.01 . 2 . . . . A 28 GLU HB3 . 34926 1 276 . 1 . 1 28 28 GLU HG2 H 1 2.261 0.01 . 2 . . . . A 28 GLU HG2 . 34926 1 277 . 1 . 1 28 28 GLU HG3 H 1 2.261 0.01 . 2 . . . . A 28 GLU HG3 . 34926 1 278 . 1 . 1 28 28 GLU CA C 13 58.333 0.01 . 1 . . . . A 28 GLU CA . 34926 1 279 . 1 . 1 28 28 GLU CB C 13 29.893 0.01 . 1 . . . . A 28 GLU CB . 34926 1 280 . 1 . 1 28 28 GLU CG C 13 36.529 0.01 . 1 . . . . A 28 GLU CG . 34926 1 281 . 1 . 1 28 28 GLU N N 15 120.15 0.01 . 1 . . . . A 28 GLU N . 34926 1 282 . 1 . 1 29 29 GLN H H 1 8.118 0.01 . 1 . . . . A 29 GLN H . 34926 1 283 . 1 . 1 29 29 GLN HA H 1 4.172 0.01 . 1 . . . . A 29 GLN HA . 34926 1 284 . 1 . 1 29 29 GLN HB2 H 1 2.167 0.01 . 1 . . . . A 29 GLN HB2 . 34926 1 285 . 1 . 1 29 29 GLN HB3 H 1 1.962 0.01 . 1 . . . . A 29 GLN HB3 . 34926 1 286 . 1 . 1 29 29 GLN HG2 H 1 2.346 0.01 . 2 . . . . A 29 GLN HG2 . 34926 1 287 . 1 . 1 29 29 GLN HG3 H 1 2.346 0.01 . 2 . . . . A 29 GLN HG3 . 34926 1 288 . 1 . 1 29 29 GLN CA C 13 57.028 0.01 . 1 . . . . A 29 GLN CA . 34926 1 289 . 1 . 1 29 29 GLN CB C 13 29.009 0.01 . 1 . . . . A 29 GLN CB . 34926 1 290 . 1 . 1 29 29 GLN CG C 13 33.928 0.01 . 1 . . . . A 29 GLN CG . 34926 1 291 . 1 . 1 29 29 GLN N N 15 120.456 0.01 . 1 . . . . A 29 GLN N . 34926 1 292 . 1 . 1 30 30 ARG HA H 1 4.119 0.01 . 1 . . . . A 30 ARG HA . 34926 1 293 . 1 . 1 30 30 ARG HB2 H 1 1.876 0.01 . 1 . . . . A 30 ARG HB2 . 34926 1 294 . 1 . 1 30 30 ARG HB3 H 1 1.809 0.01 . 1 . . . . A 30 ARG HB3 . 34926 1 295 . 1 . 1 30 30 ARG HG2 H 1 1.644 0.01 . 1 . . . . A 30 ARG HG2 . 34926 1 296 . 1 . 1 30 30 ARG HG3 H 1 1.562 0.01 . 1 . . . . A 30 ARG HG3 . 34926 1 297 . 1 . 1 30 30 ARG HD2 H 1 3.185 0.01 . 2 . . . . A 30 ARG HD2 . 34926 1 298 . 1 . 1 30 30 ARG HD3 H 1 3.185 0.01 . 2 . . . . A 30 ARG HD3 . 34926 1 299 . 1 . 1 30 30 ARG HE H 1 7.347 0.01 . 1 . . . . A 30 ARG HE . 34926 1 300 . 1 . 1 30 30 ARG CA C 13 58.322 0.01 . 1 . . . . A 30 ARG CA . 34926 1 301 . 1 . 1 30 30 ARG CB C 13 30.684 0.01 . 1 . . . . A 30 ARG CB . 34926 1 302 . 1 . 1 30 30 ARG CG C 13 27.524 0.01 . 1 . . . . A 30 ARG CG . 34926 1 303 . 1 . 1 30 30 ARG CD C 13 43.447 0.01 . 1 . . . . A 30 ARG CD . 34926 1 304 . 1 . 1 30 30 ARG NE N 15 83.848 0.01 . 1 . . . . A 30 ARG NE . 34926 1 305 . 1 . 1 31 31 ASN H H 1 8.488 0.01 . 5 1 . . . A 31 ASN H . 34926 1 306 . 1 . 1 31 31 ASN HA H 1 4.43 0.01 . 1 . . . . A 31 ASN HA . 34926 1 307 . 1 . 1 31 31 ASN HB2 H 1 2.783 0.01 . 2 . . . . A 31 ASN HB2 . 34926 1 308 . 1 . 1 31 31 ASN HB3 H 1 2.783 0.01 . 2 . . . . A 31 ASN HB3 . 34926 1 309 . 1 . 1 31 31 ASN HD21 H 1 7.675 0.01 . 1 . . . . A 31 ASN HD21 . 34926 1 310 . 1 . 1 31 31 ASN HD22 H 1 6.972 0.01 . 1 . . . . A 31 ASN HD22 . 34926 1 311 . 1 . 1 31 31 ASN CA C 13 54.41 0.01 . 1 . . . . A 31 ASN CA . 34926 1 312 . 1 . 1 31 31 ASN CB C 13 38.593 0.01 . 1 . . . . A 31 ASN CB . 34926 1 313 . 1 . 1 31 31 ASN N N 15 118.16 0.01 . 5 2 . . . A 31 ASN N . 34926 1 314 . 1 . 1 31 31 ASN ND2 N 15 113.049 0.01 . 1 . . . . A 31 ASN ND2 . 34926 1 315 . 1 . 1 32 32 GLY H H 1 8.208 0.01 . 1 . . . . A 32 GLY H . 34926 1 316 . 1 . 1 32 32 GLY HA2 H 1 3.882 0.01 . 2 . . . . A 32 GLY HA2 . 34926 1 317 . 1 . 1 32 32 GLY HA3 H 1 3.882 0.01 . 2 . . . . A 32 GLY HA3 . 34926 1 318 . 1 . 1 32 32 GLY CA C 13 46.089 0.01 . 1 . . . . A 32 GLY CA . 34926 1 319 . 1 . 1 32 32 GLY N N 15 108.932 0.01 . 1 . . . . A 32 GLY N . 34926 1 320 . 1 . 1 33 33 PHE H H 1 8.036 0.01 . 1 . . . . A 33 PHE H . 34926 1 321 . 1 . 1 33 33 PHE HA H 1 4.555 0.01 . 1 . . . . A 33 PHE HA . 34926 1 322 . 1 . 1 33 33 PHE HB2 H 1 3.084 0.01 . 2 . . . . A 33 PHE HB2 . 34926 1 323 . 1 . 1 33 33 PHE HB3 H 1 3.084 0.01 . 2 . . . . A 33 PHE HB3 . 34926 1 324 . 1 . 1 33 33 PHE HD1 H 1 7.207 0.01 . . . . . . A 33 PHE HD1 . 34926 1 325 . 1 . 1 33 33 PHE HD2 H 1 7.207 0.01 . . . . . . A 33 PHE HD2 . 34926 1 326 . 1 . 1 33 33 PHE HE1 H 1 7.299 0.01 . 5 1 . . . A 33 PHE HE1 . 34926 1 327 . 1 . 1 33 33 PHE HE2 H 1 7.299 0.01 . 5 1 . . . A 33 PHE HE2 . 34926 1 328 . 1 . 1 33 33 PHE HZ H 1 7.28 0.01 . 5 1 . . . A 33 PHE HZ . 34926 1 329 . 1 . 1 33 33 PHE CA C 13 58.624 0.01 . 1 . . . . A 33 PHE CA . 34926 1 330 . 1 . 1 33 33 PHE CB C 13 39.465 0.01 . 1 . . . . A 33 PHE CB . 34926 1 331 . 1 . 1 33 33 PHE CD1 C 13 131.81 0.01 . . . . . . A 33 PHE CD1 . 34926 1 332 . 1 . 1 33 33 PHE CD2 C 13 131.81 0.01 . . . . . . A 33 PHE CD2 . 34926 1 333 . 1 . 1 33 33 PHE CE1 C 13 131.567 0.01 . 5 3 . . . A 33 PHE CE1 . 34926 1 334 . 1 . 1 33 33 PHE CE2 C 13 131.567 0.01 . 5 3 . . . A 33 PHE CE2 . 34926 1 335 . 1 . 1 33 33 PHE CZ C 13 129.902 0.01 . 5 3 . . . A 33 PHE CZ . 34926 1 336 . 1 . 1 33 33 PHE N N 15 120.753 0.01 . 1 . . . . A 33 PHE N . 34926 1 337 . 1 . 1 34 34 ILE H H 1 8.096 0.01 . 1 . . . . A 34 ILE H . 34926 1 338 . 1 . 1 34 34 ILE HA H 1 4.004 0.01 . 1 . . . . A 34 ILE HA . 34926 1 339 . 1 . 1 34 34 ILE HB H 1 1.805 0.01 . 1 . . . . A 34 ILE HB . 34926 1 340 . 1 . 1 34 34 ILE HG12 H 1 1.478 0.01 . 1 . . . . A 34 ILE HG12 . 34926 1 341 . 1 . 1 34 34 ILE HG13 H 1 1.164 0.01 . 1 . . . . A 34 ILE HG13 . 34926 1 342 . 1 . 1 34 34 ILE HG21 H 1 0.808 0.01 . 1 . . . . A 34 ILE HG21 . 34926 1 343 . 1 . 1 34 34 ILE HG22 H 1 0.808 0.01 . 1 . . . . A 34 ILE HG22 . 34926 1 344 . 1 . 1 34 34 ILE HG23 H 1 0.808 0.01 . 1 . . . . A 34 ILE HG23 . 34926 1 345 . 1 . 1 34 34 ILE HD11 H 1 0.813 0.01 . 1 . . . . A 34 ILE HD11 . 34926 1 346 . 1 . 1 34 34 ILE HD12 H 1 0.813 0.01 . 1 . . . . A 34 ILE HD12 . 34926 1 347 . 1 . 1 34 34 ILE HD13 H 1 0.813 0.01 . 1 . . . . A 34 ILE HD13 . 34926 1 348 . 1 . 1 34 34 ILE CA C 13 61.751 0.01 . 1 . . . . A 34 ILE CA . 34926 1 349 . 1 . 1 34 34 ILE CB C 13 38.473 0.01 . 1 . . . . A 34 ILE CB . 34926 1 350 . 1 . 1 34 34 ILE CG1 C 13 27.857 0.01 . 1 . . . . A 34 ILE CG1 . 34926 1 351 . 1 . 1 34 34 ILE CG2 C 13 17.637 0.01 . 1 . . . . A 34 ILE CG2 . 34926 1 352 . 1 . 1 34 34 ILE CD1 C 13 13.148 0.01 . 1 . . . . A 34 ILE CD1 . 34926 1 353 . 1 . 1 34 34 ILE N N 15 122.691 0.01 . 1 . . . . A 34 ILE N . 34926 1 354 . 1 . 1 35 35 GLN H H 1 8.401 0.01 . 1 . . . . A 35 GLN H . 34926 1 355 . 1 . 1 35 35 GLN HA H 1 4.212 0.01 . 1 . . . . A 35 GLN HA . 34926 1 356 . 1 . 1 35 35 GLN HB2 H 1 2.019 0.01 . 2 . . . . A 35 GLN HB2 . 34926 1 357 . 1 . 1 35 35 GLN HB3 H 1 2.019 0.01 . 2 . . . . A 35 GLN HB3 . 34926 1 358 . 1 . 1 35 35 GLN HG2 H 1 2.353 0.01 . 2 . . . . A 35 GLN HG2 . 34926 1 359 . 1 . 1 35 35 GLN HG3 H 1 2.353 0.01 . 2 . . . . A 35 GLN HG3 . 34926 1 360 . 1 . 1 35 35 GLN CA C 13 56.722 0.01 . 1 . . . . A 35 GLN CA . 34926 1 361 . 1 . 1 35 35 GLN CB C 13 29.274 0.01 . 1 . . . . A 35 GLN CB . 34926 1 362 . 1 . 1 35 35 GLN CG C 13 33.946 0.01 . 1 . . . . A 35 GLN CG . 34926 1 363 . 1 . 1 35 35 GLN N N 15 123.32 0.01 . 1 . . . . A 35 GLN N . 34926 1 364 . 1 . 1 36 36 SER H H 1 8.325 0.01 . 1 . . . . A 36 SER H . 34926 1 365 . 1 . 1 36 36 SER HA H 1 4.386 0.01 . 1 . . . . A 36 SER HA . 34926 1 366 . 1 . 1 36 36 SER HB2 H 1 3.896 0.01 . 2 . . . . A 36 SER HB2 . 34926 1 367 . 1 . 1 36 36 SER HB3 H 1 3.896 0.01 . 2 . . . . A 36 SER HB3 . 34926 1 368 . 1 . 1 36 36 SER CA C 13 59.058 0.01 . 1 . . . . A 36 SER CA . 34926 1 369 . 1 . 1 36 36 SER CB C 13 63.855 0.01 . 1 . . . . A 36 SER CB . 34926 1 370 . 1 . 1 36 36 SER N N 15 117.163 0.01 . 1 . . . . A 36 SER N . 34926 1 371 . 1 . 1 37 37 LEU H H 1 8.216 0.01 . 1 . . . . A 37 LEU H . 34926 1 372 . 1 . 1 37 37 LEU HA H 1 4.219 0.01 . 1 . . . . A 37 LEU HA . 34926 1 373 . 1 . 1 37 37 LEU HB2 H 1 1.743 0.01 . 1 . . . . A 37 LEU HB2 . 34926 1 374 . 1 . 1 37 37 LEU HB3 H 1 1.55 0.01 . 1 . . . . A 37 LEU HB3 . 34926 1 375 . 1 . 1 37 37 LEU HG H 1 1.625 0.01 . 1 . . . . A 37 LEU HG . 34926 1 376 . 1 . 1 37 37 LEU HD11 H 1 0.828 0.01 . 1 . . . . A 37 LEU HD11 . 34926 1 377 . 1 . 1 37 37 LEU HD12 H 1 0.828 0.01 . 1 . . . . A 37 LEU HD12 . 34926 1 378 . 1 . 1 37 37 LEU HD13 H 1 0.828 0.01 . 1 . . . . A 37 LEU HD13 . 34926 1 379 . 1 . 1 37 37 LEU HD21 H 1 0.828 0.01 . 1 . . . . A 37 LEU HD21 . 34926 1 380 . 1 . 1 37 37 LEU HD22 H 1 0.828 0.01 . 1 . . . . A 37 LEU HD22 . 34926 1 381 . 1 . 1 37 37 LEU HD23 H 1 0.828 0.01 . 1 . . . . A 37 LEU HD23 . 34926 1 382 . 1 . 1 37 37 LEU CA C 13 55.675 0.01 . 1 . . . . A 37 LEU CA . 34926 1 383 . 1 . 1 37 37 LEU CB C 13 42.195 0.01 . 1 . . . . A 37 LEU CB . 34926 1 384 . 1 . 1 37 37 LEU CG C 13 27.048 0.01 . 1 . . . . A 37 LEU CG . 34926 1 385 . 1 . 1 37 37 LEU CD1 C 13 25.005 0.01 . 1 . . . . A 37 LEU CD1 . 34926 1 386 . 1 . 1 37 37 LEU CD2 C 13 23.546 0.01 . 1 . . . . A 37 LEU CD2 . 34926 1 387 . 1 . 1 37 37 LEU N N 15 123.791 0.01 . 1 . . . . A 37 LEU N . 34926 1 388 . 1 . 1 38 38 LYS H H 1 8.228 0.01 . 1 . . . . A 38 LYS H . 34926 1 389 . 1 . 1 38 38 LYS HA H 1 4.181 0.01 . 1 . . . . A 38 LYS HA . 34926 1 390 . 1 . 1 38 38 LYS HB2 H 1 1.833 0.01 . 2 . . . . A 38 LYS HB2 . 34926 1 391 . 1 . 1 38 38 LYS HB3 H 1 1.833 0.01 . 2 . . . . A 38 LYS HB3 . 34926 1 392 . 1 . 1 38 38 LYS HG2 H 1 1.403 0.01 . 2 . . . . A 38 LYS HG2 . 34926 1 393 . 1 . 1 38 38 LYS HG3 H 1 1.403 0.01 . 2 . . . . A 38 LYS HG3 . 34926 1 394 . 1 . 1 38 38 LYS CA C 13 57.003 0.01 . 1 . . . . A 38 LYS CA . 34926 1 395 . 1 . 1 38 38 LYS CB C 13 32.893 0.01 . 1 . . . . A 38 LYS CB . 34926 1 396 . 1 . 1 38 38 LYS CG C 13 24.979 0.01 . 1 . . . . A 38 LYS CG . 34926 1 397 . 1 . 1 38 38 LYS N N 15 121.583 0.01 . 1 . . . . A 38 LYS N . 34926 1 398 . 1 . 1 39 39 ASP H H 1 8.488 0.01 . 1 . . . . A 39 ASP H . 34926 1 399 . 1 . 1 39 39 ASP HA H 1 4.631 0.01 . 1 . . . . A 39 ASP HA . 34926 1 400 . 1 . 1 39 39 ASP HB2 H 1 2.681 0.01 . 2 . . . . A 39 ASP HB2 . 34926 1 401 . 1 . 1 39 39 ASP HB3 H 1 2.681 0.01 . 2 . . . . A 39 ASP HB3 . 34926 1 402 . 1 . 1 39 39 ASP CA C 13 54.39 0.01 . 1 . . . . A 39 ASP CA . 34926 1 403 . 1 . 1 39 39 ASP CB C 13 41.043 0.01 . 1 . . . . A 39 ASP CB . 34926 1 404 . 1 . 1 39 39 ASP N N 15 118.16 0.01 . 1 . . . . A 39 ASP N . 34926 1 405 . 1 . 1 40 40 ASP H H 1 8.264 0.01 . 1 . . . . A 40 ASP H . 34926 1 406 . 1 . 1 40 40 ASP HA H 1 4.557 0.01 . 1 . . . . A 40 ASP HA . 34926 1 407 . 1 . 1 40 40 ASP HB2 H 1 2.682 0.01 . 2 . . . . A 40 ASP HB2 . 34926 1 408 . 1 . 1 40 40 ASP HB3 H 1 2.682 0.01 . 2 . . . . A 40 ASP HB3 . 34926 1 409 . 1 . 1 40 40 ASP CA C 13 54.721 0.01 . 1 . . . . A 40 ASP CA . 34926 1 410 . 1 . 1 40 40 ASP CB C 13 41.061 0.01 . 1 . . . . A 40 ASP CB . 34926 1 411 . 1 . 1 40 40 ASP N N 15 121.336 0.01 . 1 . . . . A 40 ASP N . 34926 1 412 . 1 . 1 41 41 ALA H H 1 8.18 0.01 . 1 . . . . A 41 ALA H . 34926 1 413 . 1 . 1 41 41 ALA HA H 1 4.217 0.01 . 1 . . . . A 41 ALA HA . 34926 1 414 . 1 . 1 41 41 ALA HB1 H 1 1.44 0.01 . 1 . . . . A 41 ALA HB1 . 34926 1 415 . 1 . 1 41 41 ALA HB2 H 1 1.44 0.01 . 1 . . . . A 41 ALA HB2 . 34926 1 416 . 1 . 1 41 41 ALA HB3 H 1 1.44 0.01 . 1 . . . . A 41 ALA HB3 . 34926 1 417 . 1 . 1 41 41 ALA CA C 13 53.446 0.01 . 1 . . . . A 41 ALA CA . 34926 1 418 . 1 . 1 41 41 ALA CB C 13 18.134 0.01 . 1 . . . . A 41 ALA CB . 34926 1 419 . 1 . 1 41 41 ALA N N 15 123.169 0.01 . 1 . . . . A 41 ALA N . 34926 1 420 . 1 . 1 42 42 LYS H H 1 8.207 0.01 . 1 . . . . A 42 LYS H . 34926 1 421 . 1 . 1 42 42 LYS HA H 1 4.334 0.01 . 1 . . . . A 42 LYS HA . 34926 1 422 . 1 . 1 42 42 LYS HB2 H 1 1.861 0.01 . 2 . . . . A 42 LYS HB2 . 34926 1 423 . 1 . 1 42 42 LYS HB3 H 1 1.861 0.01 . 2 . . . . A 42 LYS HB3 . 34926 1 424 . 1 . 1 42 42 LYS HG2 H 1 1.445 0.01 . 2 . . . . A 42 LYS HG2 . 34926 1 425 . 1 . 1 42 42 LYS HG3 H 1 1.445 0.01 . 2 . . . . A 42 LYS HG3 . 34926 1 426 . 1 . 1 42 42 LYS CA C 13 56.682 0.01 . 1 . . . . A 42 LYS CA . 34926 1 427 . 1 . 1 42 42 LYS CB C 13 32.902 0.01 . 1 . . . . A 42 LYS CB . 34926 1 428 . 1 . 1 42 42 LYS CG C 13 24.979 0.01 . 1 . . . . A 42 LYS CG . 34926 1 429 . 1 . 1 42 42 LYS N N 15 119.075 0.01 . 1 . . . . A 42 LYS N . 34926 1 430 . 1 . 1 43 43 THR H H 1 7.975 0.01 . 1 . . . . A 43 THR H . 34926 1 431 . 1 . 1 43 43 THR HA H 1 4.251 0.01 . 1 . . . . A 43 THR HA . 34926 1 432 . 1 . 1 43 43 THR HB H 1 4.19 0.01 . 1 . . . . A 43 THR HB . 34926 1 433 . 1 . 1 43 43 THR HG21 H 1 1.191 0.01 . 1 . . . . A 43 THR HG21 . 34926 1 434 . 1 . 1 43 43 THR HG22 H 1 1.191 0.01 . 1 . . . . A 43 THR HG22 . 34926 1 435 . 1 . 1 43 43 THR HG23 H 1 1.191 0.01 . 1 . . . . A 43 THR HG23 . 34926 1 436 . 1 . 1 43 43 THR CA C 13 62.43 0.01 . 1 . . . . A 43 THR CA . 34926 1 437 . 1 . 1 43 43 THR CB C 13 69.93 0.01 . 1 . . . . A 43 THR CB . 34926 1 438 . 1 . 1 43 43 THR CG2 C 13 21.995 0.01 . 1 . . . . A 43 THR CG2 . 34926 1 439 . 1 . 1 43 43 THR N N 15 113.605 0.01 . 1 . . . . A 43 THR N . 34926 1 440 . 1 . 1 44 44 ASN H H 1 8.42 0.01 . 5 1 . . . A 44 ASN H . 34926 1 441 . 1 . 1 44 44 ASN HA H 1 5.017 0.01 . 1 . . . . A 44 ASN HA . 34926 1 442 . 1 . 1 44 44 ASN HB2 H 1 2.827 0.01 . 1 . . . . A 44 ASN HB2 . 34926 1 443 . 1 . 1 44 44 ASN HB3 H 1 2.761 0.01 . 1 . . . . A 44 ASN HB3 . 34926 1 444 . 1 . 1 44 44 ASN CA C 13 51.498 0.01 . 1 . . . . A 44 ASN CA . 34926 1 445 . 1 . 1 44 44 ASN CB C 13 38.968 0.01 . 1 . . . . A 44 ASN CB . 34926 1 446 . 1 . 1 44 44 ASN N N 15 121.511 0.01 . 5 2 . . . A 44 ASN N . 34926 1 447 . 1 . 1 45 45 PRO HA H 1 4.445 0.01 . 1 . . . . A 45 PRO HA . 34926 1 448 . 1 . 1 45 45 PRO HB2 H 1 1.961 0.01 . 2 . . . . A 45 PRO HB2 . 34926 1 449 . 1 . 1 45 45 PRO HB3 H 1 1.961 0.01 . 2 . . . . A 45 PRO HB3 . 34926 1 450 . 1 . 1 45 45 PRO HG2 H 1 2.011 0.01 . 2 . . . . A 45 PRO HG2 . 34926 1 451 . 1 . 1 45 45 PRO HG3 H 1 2.011 0.01 . 2 . . . . A 45 PRO HG3 . 34926 1 452 . 1 . 1 45 45 PRO HD2 H 1 3.724 0.01 . 2 . . . . A 45 PRO HD2 . 34926 1 453 . 1 . 1 45 45 PRO HD3 H 1 3.724 0.01 . 2 . . . . A 45 PRO HD3 . 34926 1 454 . 1 . 1 45 45 PRO CA C 13 64.023 0.01 . 1 . . . . A 45 PRO CA . 34926 1 455 . 1 . 1 45 45 PRO CB C 13 32.135 0.01 . 1 . . . . A 45 PRO CB . 34926 1 456 . 1 . 1 45 45 PRO CG C 13 27.399 0.01 . 1 . . . . A 45 PRO CG . 34926 1 457 . 1 . 1 45 45 PRO CD C 13 50.833 0.01 . 1 . . . . A 45 PRO CD . 34926 1 458 . 1 . 1 46 46 GLY H H 1 8.498 0.01 . 1 . . . . A 46 GLY H . 34926 1 459 . 1 . 1 46 46 GLY HA2 H 1 3.932 0.01 . 2 . . . . A 46 GLY HA2 . 34926 1 460 . 1 . 1 46 46 GLY HA3 H 1 3.932 0.01 . 2 . . . . A 46 GLY HA3 . 34926 1 461 . 1 . 1 46 46 GLY CA C 13 45.55 0.01 . 1 . . . . A 46 GLY CA . 34926 1 462 . 1 . 1 46 46 GLY N N 15 108.305 0.01 . 1 . . . . A 46 GLY N . 34926 1 463 . 1 . 1 47 47 ASN H H 1 8.212 0.01 . 1 . . . . A 47 ASN H . 34926 1 464 . 1 . 1 47 47 ASN HA H 1 4.736 0.01 . 1 . . . . A 47 ASN HA . 34926 1 465 . 1 . 1 47 47 ASN HB2 H 1 2.789 0.01 . 2 . . . . A 47 ASN HB2 . 34926 1 466 . 1 . 1 47 47 ASN HB3 H 1 2.789 0.01 . 2 . . . . A 47 ASN HB3 . 34926 1 467 . 1 . 1 47 47 ASN CA C 13 53.259 0.01 . 1 . . . . A 47 ASN CA . 34926 1 468 . 1 . 1 47 47 ASN CB C 13 38.947 0.01 . 1 . . . . A 47 ASN CB . 34926 1 469 . 1 . 1 47 47 ASN N N 15 118.652 0.01 . 1 . . . . A 47 ASN N . 34926 1 470 . 1 . 1 48 48 ASN H H 1 8.396 0.01 . 1 . . . . A 48 ASN H . 34926 1 471 . 1 . 1 48 48 ASN HA H 1 4.652 0.01 . 1 . . . . A 48 ASN HA . 34926 1 472 . 1 . 1 48 48 ASN HB2 H 1 2.821 0.01 . 2 . . . . A 48 ASN HB2 . 34926 1 473 . 1 . 1 48 48 ASN HB3 H 1 2.821 0.01 . 2 . . . . A 48 ASN HB3 . 34926 1 474 . 1 . 1 48 48 ASN CA C 13 53.82 0.01 . 1 . . . . A 48 ASN CA . 34926 1 475 . 1 . 1 48 48 ASN CB C 13 38.966 0.01 . 1 . . . . A 48 ASN CB . 34926 1 476 . 1 . 1 48 48 ASN N N 15 119.132 0.01 . 1 . . . . A 48 ASN N . 34926 1 477 . 1 . 1 49 49 LYS H H 1 8.386 0.01 . 1 . . . . A 49 LYS H . 34926 1 478 . 1 . 1 49 49 LYS HA H 1 4.182 0.01 . 1 . . . . A 49 LYS HA . 34926 1 479 . 1 . 1 49 49 LYS HB2 H 1 1.653 0.01 . 2 . . . . A 49 LYS HB2 . 34926 1 480 . 1 . 1 49 49 LYS HB3 H 1 1.653 0.01 . 2 . . . . A 49 LYS HB3 . 34926 1 481 . 1 . 1 49 49 LYS HG2 H 1 1.234 0.01 . 2 . . . . A 49 LYS HG2 . 34926 1 482 . 1 . 1 49 49 LYS HG3 H 1 1.234 0.01 . 2 . . . . A 49 LYS HG3 . 34926 1 483 . 1 . 1 49 49 LYS CA C 13 57.016 0.01 . 1 . . . . A 49 LYS CA . 34926 1 484 . 1 . 1 49 49 LYS CB C 13 32.703 0.01 . 1 . . . . A 49 LYS CB . 34926 1 485 . 1 . 1 49 49 LYS CG C 13 24.696 0.01 . 1 . . . . A 49 LYS CG . 34926 1 486 . 1 . 1 49 49 LYS N N 15 121.473 0.01 . 1 . . . . A 49 LYS N . 34926 1 487 . 1 . 1 50 50 GLU H H 1 8.43 0.01 . 1 . . . . A 50 GLU H . 34926 1 488 . 1 . 1 50 50 GLU HA H 1 4.183 0.01 . 1 . . . . A 50 GLU HA . 34926 1 489 . 1 . 1 50 50 GLU HB2 H 1 2.016 0.01 . 2 . . . . A 50 GLU HB2 . 34926 1 490 . 1 . 1 50 50 GLU HB3 H 1 2.016 0.01 . 2 . . . . A 50 GLU HB3 . 34926 1 491 . 1 . 1 50 50 GLU HG2 H 1 2.263 0.01 . 2 . . . . A 50 GLU HG2 . 34926 1 492 . 1 . 1 50 50 GLU HG3 H 1 2.263 0.01 . 2 . . . . A 50 GLU HG3 . 34926 1 493 . 1 . 1 50 50 GLU CA C 13 57.037 0.01 . 1 . . . . A 50 GLU CA . 34926 1 494 . 1 . 1 50 50 GLU CB C 13 29.34 0.01 . 1 . . . . A 50 GLU CB . 34926 1 495 . 1 . 1 50 50 GLU CG C 13 35.579 0.01 . 1 . . . . A 50 GLU CG . 34926 1 496 . 1 . 1 50 50 GLU N N 15 120.766 0.01 . 1 . . . . A 50 GLU N . 34926 1 497 . 1 . 1 51 51 GLN H H 1 8.31 0.01 . 1 . . . . A 51 GLN H . 34926 1 498 . 1 . 1 51 51 GLN HA H 1 4.212 0.01 . 1 . . . . A 51 GLN HA . 34926 1 499 . 1 . 1 51 51 GLN HB2 H 1 2.016 0.01 . 2 . . . . A 51 GLN HB2 . 34926 1 500 . 1 . 1 51 51 GLN HB3 H 1 2.016 0.01 . 2 . . . . A 51 GLN HB3 . 34926 1 501 . 1 . 1 51 51 GLN HG2 H 1 2.361 0.01 . 2 . . . . A 51 GLN HG2 . 34926 1 502 . 1 . 1 51 51 GLN HG3 H 1 2.361 0.01 . 2 . . . . A 51 GLN HG3 . 34926 1 503 . 1 . 1 51 51 GLN HE21 H 1 7.569 0.01 . 1 . . . . A 51 GLN HE21 . 34926 1 504 . 1 . 1 51 51 GLN HE22 H 1 6.871 0.01 . 1 . . . . A 51 GLN HE22 . 34926 1 505 . 1 . 1 51 51 GLN CA C 13 57.235 0.01 . 1 . . . . A 51 GLN CA . 34926 1 506 . 1 . 1 51 51 GLN CB C 13 29.321 0.01 . 1 . . . . A 51 GLN CB . 34926 1 507 . 1 . 1 51 51 GLN CG C 13 33.962 0.01 . 1 . . . . A 51 GLN CG . 34926 1 508 . 1 . 1 51 51 GLN N N 15 120.609 0.01 . 1 . . . . A 51 GLN N . 34926 1 509 . 1 . 1 51 51 GLN NE2 N 15 112.331 0.01 . 1 . . . . A 51 GLN NE2 . 34926 1 510 . 1 . 1 52 52 GLN H H 1 8.347 0.01 . 5 1 . . . A 52 GLN H . 34926 1 511 . 1 . 1 52 52 GLN HA H 1 4.277 0.01 . 1 . . . . A 52 GLN HA . 34926 1 512 . 1 . 1 52 52 GLN HB2 H 1 2.018 0.01 . 2 . . . . A 52 GLN HB2 . 34926 1 513 . 1 . 1 52 52 GLN HB3 H 1 2.018 0.01 . 2 . . . . A 52 GLN HB3 . 34926 1 514 . 1 . 1 52 52 GLN HG2 H 1 2.359 0.01 . 2 . . . . A 52 GLN HG2 . 34926 1 515 . 1 . 1 52 52 GLN HG3 H 1 2.359 0.01 . 2 . . . . A 52 GLN HG3 . 34926 1 516 . 1 . 1 52 52 GLN CA C 13 57.022 0.01 . 1 . . . . A 52 GLN CA . 34926 1 517 . 1 . 1 52 52 GLN CB C 13 29.272 0.01 . 1 . . . . A 52 GLN CB . 34926 1 518 . 1 . 1 52 52 GLN CG C 13 33.939 0.01 . 1 . . . . A 52 GLN CG . 34926 1 519 . 1 . 1 52 52 GLN N N 15 116.474 0.01 . 5 2 . . . A 52 GLN N . 34926 1 520 . 1 . 1 53 53 ASN H H 1 8.428 0.01 . 1 . . . . A 53 ASN H . 34926 1 521 . 1 . 1 53 53 ASN HA H 1 4.678 0.01 . 1 . . . . A 53 ASN HA . 34926 1 522 . 1 . 1 53 53 ASN HB2 H 1 2.833 0.01 . 2 . . . . A 53 ASN HB2 . 34926 1 523 . 1 . 1 53 53 ASN HB3 H 1 2.833 0.01 . 2 . . . . A 53 ASN HB3 . 34926 1 524 . 1 . 1 53 53 ASN CA C 13 53.854 0.01 . 1 . . . . A 53 ASN CA . 34926 1 525 . 1 . 1 53 53 ASN CB C 13 38.942 0.01 . 1 . . . . A 53 ASN CB . 34926 1 526 . 1 . 1 53 53 ASN N N 15 119.481 0.01 . 1 . . . . A 53 ASN N . 34926 1 527 . 1 . 1 54 54 ALA H H 1 8.228 0.01 . 1 . . . . A 54 ALA H . 34926 1 528 . 1 . 1 54 54 ALA HA H 1 4.274 0.01 . 1 . . . . A 54 ALA HA . 34926 1 529 . 1 . 1 54 54 ALA HB1 H 1 1.276 0.01 . 1 . . . . A 54 ALA HB1 . 34926 1 530 . 1 . 1 54 54 ALA HB2 H 1 1.276 0.01 . 1 . . . . A 54 ALA HB2 . 34926 1 531 . 1 . 1 54 54 ALA HB3 H 1 1.276 0.01 . 1 . . . . A 54 ALA HB3 . 34926 1 532 . 1 . 1 54 54 ALA CA C 13 53.373 0.01 . 1 . . . . A 54 ALA CA . 34926 1 533 . 1 . 1 54 54 ALA CB C 13 19.056 0.01 . 1 . . . . A 54 ALA CB . 34926 1 534 . 1 . 1 54 54 ALA N N 15 124.123 0.01 . 1 . . . . A 54 ALA N . 34926 1 535 . 1 . 1 55 55 PHE H H 1 8.15 0.01 . 1 . . . . A 55 PHE H . 34926 1 536 . 1 . 1 55 55 PHE HA H 1 4.494 0.01 . 1 . . . . A 55 PHE HA . 34926 1 537 . 1 . 1 55 55 PHE HB2 H 1 3.03 0.01 . 2 . . . . A 55 PHE HB2 . 34926 1 538 . 1 . 1 55 55 PHE HB3 H 1 3.03 0.01 . 2 . . . . A 55 PHE HB3 . 34926 1 539 . 1 . 1 55 55 PHE HD1 H 1 7.113 0.01 . . . . . . A 55 PHE HD1 . 34926 1 540 . 1 . 1 55 55 PHE HD2 H 1 7.113 0.01 . . . . . . A 55 PHE HD2 . 34926 1 541 . 1 . 1 55 55 PHE HE1 H 1 7.299 0.01 . 5 1 . . . A 55 PHE HE1 . 34926 1 542 . 1 . 1 55 55 PHE HE2 H 1 7.299 0.01 . 5 1 . . . A 55 PHE HE2 . 34926 1 543 . 1 . 1 55 55 PHE HZ H 1 7.249 0.01 . 1 . . . . A 55 PHE HZ . 34926 1 544 . 1 . 1 55 55 PHE CA C 13 58.687 0.01 . 1 . . . . A 55 PHE CA . 34926 1 545 . 1 . 1 55 55 PHE CB C 13 39.413 0.01 . 1 . . . . A 55 PHE CB . 34926 1 546 . 1 . 1 55 55 PHE CD1 C 13 131.873 0.01 . . . . . . A 55 PHE CD1 . 34926 1 547 . 1 . 1 55 55 PHE CD2 C 13 131.873 0.01 . . . . . . A 55 PHE CD2 . 34926 1 548 . 1 . 1 55 55 PHE CE1 C 13 131.567 0.01 . 5 3 . . . A 55 PHE CE1 . 34926 1 549 . 1 . 1 55 55 PHE CE2 C 13 131.567 0.01 . 5 3 . . . A 55 PHE CE2 . 34926 1 550 . 1 . 1 55 55 PHE CZ C 13 129.903 0.01 . 1 . . . . A 55 PHE CZ . 34926 1 551 . 1 . 1 55 55 PHE N N 15 118.542 0.01 . 1 . . . . A 55 PHE N . 34926 1 552 . 1 . 1 56 56 TYR H H 1 7.895 0.01 . 1 . . . . A 56 TYR H . 34926 1 553 . 1 . 1 56 56 TYR HA H 1 4.416 0.01 . 1 . . . . A 56 TYR HA . 34926 1 554 . 1 . 1 56 56 TYR HB2 H 1 2.975 0.01 . 2 . . . . A 56 TYR HB2 . 34926 1 555 . 1 . 1 56 56 TYR HB3 H 1 2.975 0.01 . 2 . . . . A 56 TYR HB3 . 34926 1 556 . 1 . 1 56 56 TYR HD1 H 1 7.074 0.01 . . . . . . A 56 TYR HD1 . 34926 1 557 . 1 . 1 56 56 TYR HD2 H 1 7.074 0.01 . . . . . . A 56 TYR HD2 . 34926 1 558 . 1 . 1 56 56 TYR HE1 H 1 6.768 0.01 . . . . . . A 56 TYR HE1 . 34926 1 559 . 1 . 1 56 56 TYR HE2 H 1 6.768 0.01 . . . . . . A 56 TYR HE2 . 34926 1 560 . 1 . 1 56 56 TYR CA C 13 58.422 0.01 . 1 . . . . A 56 TYR CA . 34926 1 561 . 1 . 1 56 56 TYR CB C 13 39.001 0.01 . 1 . . . . A 56 TYR CB . 34926 1 562 . 1 . 1 56 56 TYR CD1 C 13 133.348 0.01 . . . . . . A 56 TYR CD1 . 34926 1 563 . 1 . 1 56 56 TYR CD2 C 13 133.348 0.01 . . . . . . A 56 TYR CD2 . 34926 1 564 . 1 . 1 56 56 TYR CE1 C 13 118.276 0.01 . . . . . . A 56 TYR CE1 . 34926 1 565 . 1 . 1 56 56 TYR CE2 C 13 118.276 0.01 . . . . . . A 56 TYR CE2 . 34926 1 566 . 1 . 1 56 56 TYR N N 15 120.445 0.01 . 1 . . . . A 56 TYR N . 34926 1 567 . 1 . 1 57 57 GLU H H 1 8.185 0.01 . 1 . . . . A 57 GLU H . 34926 1 568 . 1 . 1 57 57 GLU HA H 1 4.169 0.01 . 1 . . . . A 57 GLU HA . 34926 1 569 . 1 . 1 57 57 GLU HB2 H 1 1.928 0.01 . 2 . . . . A 57 GLU HB2 . 34926 1 570 . 1 . 1 57 57 GLU HB3 H 1 1.928 0.01 . 2 . . . . A 57 GLU HB3 . 34926 1 571 . 1 . 1 57 57 GLU HG2 H 1 2.192 0.01 . 2 . . . . A 57 GLU HG2 . 34926 1 572 . 1 . 1 57 57 GLU HG3 H 1 2.192 0.01 . 2 . . . . A 57 GLU HG3 . 34926 1 573 . 1 . 1 57 57 GLU CA C 13 57.735 0.01 . 1 . . . . A 57 GLU CA . 34926 1 574 . 1 . 1 57 57 GLU CB C 13 32.678 0.01 . 1 . . . . A 57 GLU CB . 34926 1 575 . 1 . 1 57 57 GLU N N 15 122.259 0.01 . 1 . . . . A 57 GLU N . 34926 1 576 . 1 . 1 58 58 ILE HA H 1 3.964 0.01 . 1 . . . . A 58 ILE HA . 34926 1 577 . 1 . 1 58 58 ILE HB H 1 1.858 0.01 . 1 . . . . A 58 ILE HB . 34926 1 578 . 1 . 1 58 58 ILE HG12 H 1 1.544 0.01 . 1 . . . . A 58 ILE HG12 . 34926 1 579 . 1 . 1 58 58 ILE HG13 H 1 1.176 0.01 . 1 . . . . A 58 ILE HG13 . 34926 1 580 . 1 . 1 58 58 ILE HG21 H 1 0.878 0.01 . 1 . . . . A 58 ILE HG21 . 34926 1 581 . 1 . 1 58 58 ILE HG22 H 1 0.878 0.01 . 1 . . . . A 58 ILE HG22 . 34926 1 582 . 1 . 1 58 58 ILE HG23 H 1 0.878 0.01 . 1 . . . . A 58 ILE HG23 . 34926 1 583 . 1 . 1 58 58 ILE HD11 H 1 0.829 0.01 . 1 . . . . A 58 ILE HD11 . 34926 1 584 . 1 . 1 58 58 ILE HD12 H 1 0.829 0.01 . 1 . . . . A 58 ILE HD12 . 34926 1 585 . 1 . 1 58 58 ILE HD13 H 1 0.829 0.01 . 1 . . . . A 58 ILE HD13 . 34926 1 586 . 1 . 1 58 58 ILE CA C 13 61.605 0.01 . 1 . . . . A 58 ILE CA . 34926 1 587 . 1 . 1 58 58 ILE CB C 13 38.489 0.01 . 1 . . . . A 58 ILE CB . 34926 1 588 . 1 . 1 58 58 ILE CG1 C 13 27.969 0.01 . 1 . . . . A 58 ILE CG1 . 34926 1 589 . 1 . 1 58 58 ILE CG2 C 13 17.491 0.01 . 1 . . . . A 58 ILE CG2 . 34926 1 590 . 1 . 1 58 58 ILE CD1 C 13 13.253 0.01 . 1 . . . . A 58 ILE CD1 . 34926 1 591 . 1 . 1 59 59 LEU H H 1 8.081 0.01 . 1 . . . . A 59 LEU H . 34926 1 592 . 1 . 1 59 59 LEU HA H 1 4.21 0.01 . 1 . . . . A 59 LEU HA . 34926 1 593 . 1 . 1 59 59 LEU HB2 H 1 1.54 0.01 . 1 . . . . A 59 LEU HB2 . 34926 1 594 . 1 . 1 59 59 LEU HB3 H 1 1.371 0.01 . 1 . . . . A 59 LEU HB3 . 34926 1 595 . 1 . 1 59 59 LEU HG H 1 1.497 0.01 . 1 . . . . A 59 LEU HG . 34926 1 596 . 1 . 1 59 59 LEU HD11 H 1 0.832 0.01 . 1 . . . . A 59 LEU HD11 . 34926 1 597 . 1 . 1 59 59 LEU HD12 H 1 0.832 0.01 . 1 . . . . A 59 LEU HD12 . 34926 1 598 . 1 . 1 59 59 LEU HD13 H 1 0.832 0.01 . 1 . . . . A 59 LEU HD13 . 34926 1 599 . 1 . 1 59 59 LEU HD21 H 1 0.79 0.01 . 1 . . . . A 59 LEU HD21 . 34926 1 600 . 1 . 1 59 59 LEU HD22 H 1 0.79 0.01 . 1 . . . . A 59 LEU HD22 . 34926 1 601 . 1 . 1 59 59 LEU HD23 H 1 0.79 0.01 . 1 . . . . A 59 LEU HD23 . 34926 1 602 . 1 . 1 59 59 LEU CB C 13 42.503 0.01 . 1 . . . . A 59 LEU CB . 34926 1 603 . 1 . 1 59 59 LEU CG C 13 27.025 0.01 . 1 . . . . A 59 LEU CG . 34926 1 604 . 1 . 1 59 59 LEU CD1 C 13 25.005 0.01 . 1 . . . . A 59 LEU CD1 . 34926 1 605 . 1 . 1 59 59 LEU CD2 C 13 23.57 0.01 . 1 . . . . A 59 LEU CD2 . 34926 1 606 . 1 . 1 59 59 LEU N N 15 123.937 0.01 . 1 . . . . A 59 LEU N . 34926 1 607 . 1 . 1 60 60 HIS HA H 1 4.611 0.01 . 1 . . . . A 60 HIS HA . 34926 1 608 . 1 . 1 60 60 HIS HB2 H 1 3.185 0.01 . 2 . . . . A 60 HIS HB2 . 34926 1 609 . 1 . 1 60 60 HIS HB3 H 1 3.185 0.01 . 2 . . . . A 60 HIS HB3 . 34926 1 610 . 1 . 1 60 60 HIS HD2 H 1 7.052 0.01 . 1 . . . . A 60 HIS HD2 . 34926 1 611 . 1 . 1 60 60 HIS HE1 H 1 8.165 0.01 . 1 . . . . A 60 HIS HE1 . 34926 1 612 . 1 . 1 60 60 HIS CA C 13 55.562 0.01 . 1 . . . . A 60 HIS CA . 34926 1 613 . 1 . 1 60 60 HIS CB C 13 29.594 0.01 . 1 . . . . A 60 HIS CB . 34926 1 614 . 1 . 1 60 60 HIS CD2 C 13 120.07 0.01 . 1 . . . . A 60 HIS CD2 . 34926 1 615 . 1 . 1 60 60 HIS CE1 C 13 137.186 0.01 . 1 . . . . A 60 HIS CE1 . 34926 1 616 . 1 . 1 61 61 LEU HA H 1 4.401 0.01 . 1 . . . . A 61 LEU HA . 34926 1 617 . 1 . 1 61 61 LEU HB2 H 1 1.546 0.01 . 2 . . . . A 61 LEU HB2 . 34926 1 618 . 1 . 1 61 61 LEU HB3 H 1 1.346 0.01 . 2 . . . . A 61 LEU HB3 . 34926 1 619 . 1 . 1 61 61 LEU HG H 1 1.624 0.01 . 1 . . . . A 61 LEU HG . 34926 1 620 . 1 . 1 61 61 LEU HD11 H 1 0.853 0.01 . 1 . . . . A 61 LEU HD11 . 34926 1 621 . 1 . 1 61 61 LEU HD12 H 1 0.853 0.01 . 1 . . . . A 61 LEU HD12 . 34926 1 622 . 1 . 1 61 61 LEU HD13 H 1 0.853 0.01 . 1 . . . . A 61 LEU HD13 . 34926 1 623 . 1 . 1 61 61 LEU HD21 H 1 0.893 0.01 . 1 . . . . A 61 LEU HD21 . 34926 1 624 . 1 . 1 61 61 LEU HD22 H 1 0.893 0.01 . 1 . . . . A 61 LEU HD22 . 34926 1 625 . 1 . 1 61 61 LEU HD23 H 1 0.893 0.01 . 1 . . . . A 61 LEU HD23 . 34926 1 626 . 1 . 1 61 61 LEU CB C 13 43.445 0.01 . 1 . . . . A 61 LEU CB . 34926 1 627 . 1 . 1 61 61 LEU CG C 13 27.048 0.01 . 1 . . . . A 61 LEU CG . 34926 1 628 . 1 . 1 61 61 LEU CD1 C 13 25.319 0.01 . 1 . . . . A 61 LEU CD1 . 34926 1 629 . 1 . 1 61 61 LEU CD2 C 13 23.535 0.01 . 1 . . . . A 61 LEU CD2 . 34926 1 630 . 1 . 1 62 62 PRO HA H 1 4.405 0.01 . 1 . . . . A 62 PRO HA . 34926 1 631 . 1 . 1 62 62 PRO HB2 H 1 2.287 0.01 . 1 . . . . A 62 PRO HB2 . 34926 1 632 . 1 . 1 62 62 PRO HB3 H 1 1.986 0.01 . 1 . . . . A 62 PRO HB3 . 34926 1 633 . 1 . 1 62 62 PRO HG2 H 1 2.055 0.01 . 1 . . . . A 62 PRO HG2 . 34926 1 634 . 1 . 1 62 62 PRO HG3 H 1 1.994 0.01 . 1 . . . . A 62 PRO HG3 . 34926 1 635 . 1 . 1 62 62 PRO HD2 H 1 3.82 0.01 . 1 . . . . A 62 PRO HD2 . 34926 1 636 . 1 . 1 62 62 PRO HD3 H 1 3.617 0.01 . 1 . . . . A 62 PRO HD3 . 34926 1 637 . 1 . 1 62 62 PRO CA C 13 63.439 0.01 . 1 . . . . A 62 PRO CA . 34926 1 638 . 1 . 1 62 62 PRO CB C 13 32.163 0.01 . 1 . . . . A 62 PRO CB . 34926 1 639 . 1 . 1 62 62 PRO CG C 13 27.545 0.01 . 1 . . . . A 62 PRO CG . 34926 1 640 . 1 . 1 62 62 PRO CD C 13 50.729 0.01 . 1 . . . . A 62 PRO CD . 34926 1 641 . 1 . 1 63 63 LYS H H 1 8.027 0.01 . 1 . . . . A 63 LYS H . 34926 1 642 . 1 . 1 63 63 LYS HA H 1 4.135 0.01 . 1 . . . . A 63 LYS HA . 34926 1 643 . 1 . 1 63 63 LYS HB2 H 1 1.796 0.01 . 1 . . . . A 63 LYS HB2 . 34926 1 644 . 1 . 1 63 63 LYS HB3 H 1 1.695 0.01 . 1 . . . . A 63 LYS HB3 . 34926 1 645 . 1 . 1 63 63 LYS HG2 H 1 1.416 0.01 . 2 . . . . A 63 LYS HG2 . 34926 1 646 . 1 . 1 63 63 LYS HG3 H 1 1.416 0.01 . 2 . . . . A 63 LYS HG3 . 34926 1 647 . 1 . 1 63 63 LYS CA C 13 57.787 0.01 . 1 . . . . A 63 LYS CA . 34926 1 648 . 1 . 1 63 63 LYS CB C 13 33.857 0.01 . 1 . . . . A 63 LYS CB . 34926 1 649 . 1 . 1 63 63 LYS CG C 13 24.966 0.01 . 1 . . . . A 63 LYS CG . 34926 1 650 . 1 . 1 63 63 LYS N N 15 126.719 0.01 . 1 . . . . A 63 LYS N . 34926 1 stop_ save_