data_34671 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34671 _Entry.Title ; Structure of Viscotoxin A3 from Viscum Album in the complex with DPC micelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-10-01 _Entry.Accession_date 2021-10-01 _Entry.Last_release_date 2021-10-26 _Entry.Original_release_date 2021-10-26 _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 A. Paramonov A. S. . . 34671 2 Z. Shenkarev Z. O. . . 34671 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ANTIMICROBIAL PROTEIN' . 34671 'antimicrobial peptides' . 34671 cytotoxicity . 34671 'membrane activity' . 34671 'membrane disruption' . 34671 oligomerization . 34671 thionin . 34671 viscotoxin . 34671 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34671 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 295 34671 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 . . 2022-06-09 2021-10-01 update BMRB 'update entry citation' 34671 1 . . 2021-11-28 2021-10-01 original author 'original release' 34671 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7PVB 'BMRB Entry Tracking System' 34671 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34671 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34781057 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Spatial structure and oligomerization of viscotoxin A3 in detergent micelles: Implication for mechanisms of ion channel formation and membrane lysis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full 'Biochemical and biophysical research communications' _Citation.Journal_volume 585 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1090-2104 _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 22 _Citation.Page_last 28 _Citation.Year 2021 _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 Alexander Paramonov A. S. . . 34671 1 2 Ekaterina Lyukmanova E. N. . . 34671 1 3 Alexander Tonevitsky A. G. . . 34671 1 4 Alexander Arseniev A. S. . . 34671 1 5 Zakhar Shenkarev Z. O. . . 34671 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34671 _Assembly.ID 1 _Assembly.Name Viscotoxin-A3 _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 . . . . . . 34671 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_asym_ID_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_asym_ID_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 3 3 SG . 1 . 1 CYS 40 40 SG . . . . . . . . . . . . 34671 1 2 disulfide single . 1 . 1 CYS 4 4 SG . 1 . 1 CYS 32 32 SG . . . . . . . . . . . . 34671 1 3 disulfide single . 1 . 1 CYS 16 16 SG . 1 . 1 CYS 26 26 SG . . . . . . . . . . . . 34671 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34671 _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 ; KSCCPNTTGRNIYNACRLTG APRPTCAKLSGCKIISGSTC PSDYPK ; _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 46 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method nat _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4842.626 _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 . LYS . 34671 1 2 . SER . 34671 1 3 . CYS . 34671 1 4 . CYS . 34671 1 5 . PRO . 34671 1 6 . ASN . 34671 1 7 . THR . 34671 1 8 . THR . 34671 1 9 . GLY . 34671 1 10 . ARG . 34671 1 11 . ASN . 34671 1 12 . ILE . 34671 1 13 . TYR . 34671 1 14 . ASN . 34671 1 15 . ALA . 34671 1 16 . CYS . 34671 1 17 . ARG . 34671 1 18 . LEU . 34671 1 19 . THR . 34671 1 20 . GLY . 34671 1 21 . ALA . 34671 1 22 . PRO . 34671 1 23 . ARG . 34671 1 24 . PRO . 34671 1 25 . THR . 34671 1 26 . CYS . 34671 1 27 . ALA . 34671 1 28 . LYS . 34671 1 29 . LEU . 34671 1 30 . SER . 34671 1 31 . GLY . 34671 1 32 . CYS . 34671 1 33 . LYS . 34671 1 34 . ILE . 34671 1 35 . ILE . 34671 1 36 . SER . 34671 1 37 . GLY . 34671 1 38 . SER . 34671 1 39 . THR . 34671 1 40 . CYS . 34671 1 41 . PRO . 34671 1 42 . SER . 34671 1 43 . ASP . 34671 1 44 . TYR . 34671 1 45 . PRO . 34671 1 46 . LYS . 34671 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 . LYS 1 1 34671 1 . SER 2 2 34671 1 . CYS 3 3 34671 1 . CYS 4 4 34671 1 . PRO 5 5 34671 1 . ASN 6 6 34671 1 . THR 7 7 34671 1 . THR 8 8 34671 1 . GLY 9 9 34671 1 . ARG 10 10 34671 1 . ASN 11 11 34671 1 . ILE 12 12 34671 1 . TYR 13 13 34671 1 . ASN 14 14 34671 1 . ALA 15 15 34671 1 . CYS 16 16 34671 1 . ARG 17 17 34671 1 . LEU 18 18 34671 1 . THR 19 19 34671 1 . GLY 20 20 34671 1 . ALA 21 21 34671 1 . PRO 22 22 34671 1 . ARG 23 23 34671 1 . PRO 24 24 34671 1 . THR 25 25 34671 1 . CYS 26 26 34671 1 . ALA 27 27 34671 1 . LYS 28 28 34671 1 . LEU 29 29 34671 1 . SER 30 30 34671 1 . GLY 31 31 34671 1 . CYS 32 32 34671 1 . LYS 33 33 34671 1 . ILE 34 34 34671 1 . ILE 35 35 34671 1 . SER 36 36 34671 1 . GLY 37 37 34671 1 . SER 38 38 34671 1 . THR 39 39 34671 1 . CYS 40 40 34671 1 . PRO 41 41 34671 1 . SER 42 42 34671 1 . ASP 43 43 34671 1 . TYR 44 44 34671 1 . PRO 45 45 34671 1 . LYS 46 46 34671 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 34671 _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 . 3972 organism . 'Viscum album' 'European mistletoe' . . Eukaryota Viridiplantae Viscum album . . . . . . . . . . . . . 34671 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 34671 _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 . . . . . . . . . . . . . . . . . . 34671 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34671 _Sample.ID 1 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details '1.6 mM VtA3, 128 mM [U-100% 2H] DPC, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 VtA3 'natural abundance' . . 1 $entity_1 . . 1.6 . . mM 0.1 . . . 34671 1 2 DPC '[U-100% 2H]' . . . . . . 128 . . mM 1 . . . 34671 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34671 _Sample.ID 2 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details '1.6 mM VtA3, 128 mM [U-100% 2H] DPC, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 VtA3 'natural abundance' . . 1 $entity_1 . . 1.6 . . mM 0.1 . . . 34671 2 2 DPC '[U-100% 2H]' . . . . . . 128 . . mM 1 . . . 34671 2 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 34671 _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' 10 1 mM 34671 1 pH 4.0 0.1 pH 34671 1 pressure 1 . atm 34671 1 temperature 313 0.1 K 34671 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34671 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 3.98.13 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34671 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34671 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34671 _Software.ID 2 _Software.Type . _Software.Name XEASY _Software.Version 3.98.13 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 34671 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34671 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34671 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34671 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 34671 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34671 _Software.ID 4 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 34671 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 34671 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34671 _Software.ID 5 _Software.Type . _Software.Name VNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 34671 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34671 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 34671 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY _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 34671 _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 Varian UNITY . 600 . . . 34671 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 34671 _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 NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34671 1 2 '2D NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34671 1 3 '2D TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34671 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34671 1 5 '2D DQF-COSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34671 1 6 '2D DQF-COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34671 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 34671 _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 H 1 water protons . . . . ppm 4.65 internal direct 1.0 . . . . . 34671 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 34671 _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 0.02 _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 3 '2D TOCSY' . . . 34671 1 6 '2D DQF-COSY' . . . 34671 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $software_4 . . 34671 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 LYS HA H 1 4.221 0.020 . 1 . . . . A 1 LYS HA . 34671 1 2 . 1 . 1 1 1 LYS HB2 H 1 2.005 0.020 . 1 . . . . A 1 LYS HB2 . 34671 1 3 . 1 . 1 1 1 LYS HB3 H 1 1.788 0.020 . 1 . . . . A 1 LYS HB3 . 34671 1 4 . 1 . 1 1 1 LYS HG2 H 1 1.330 0.020 . 2 . . . . A 1 LYS HG2 . 34671 1 5 . 1 . 1 1 1 LYS HG3 H 1 1.426 0.020 . 2 . . . . A 1 LYS HG3 . 34671 1 6 . 1 . 1 1 1 LYS HD2 H 1 1.548 0.020 . 2 . . . . A 1 LYS HD2 . 34671 1 7 . 1 . 1 1 1 LYS HD3 H 1 1.616 0.020 . 2 . . . . A 1 LYS HD3 . 34671 1 8 . 1 . 1 1 1 LYS HE2 H 1 3.095 0.020 . 2 . . . . A 1 LYS HE2 . 34671 1 9 . 1 . 1 1 1 LYS HE3 H 1 3.095 0.020 . 2 . . . . A 1 LYS HE3 . 34671 1 10 . 1 . 1 2 2 SER H H 1 8.803 0.020 . 1 . . . . A 2 SER H . 34671 1 11 . 1 . 1 2 2 SER HA H 1 5.028 0.020 . 1 . . . . A 2 SER HA . 34671 1 12 . 1 . 1 2 2 SER HB2 H 1 2.885 0.020 . 1 . . . . A 2 SER HB2 . 34671 1 13 . 1 . 1 2 2 SER HB3 H 1 3.717 0.020 . 1 . . . . A 2 SER HB3 . 34671 1 14 . 1 . 1 3 3 CYS H H 1 9.065 0.020 . 1 . . . . A 3 CYS H . 34671 1 15 . 1 . 1 3 3 CYS HA H 1 5.016 0.020 . 1 . . . . A 3 CYS HA . 34671 1 16 . 1 . 1 3 3 CYS HB2 H 1 2.335 0.020 . 1 . . . . A 3 CYS HB2 . 34671 1 17 . 1 . 1 3 3 CYS HB3 H 1 4.396 0.020 . 1 . . . . A 3 CYS HB3 . 34671 1 18 . 1 . 1 4 4 CYS H H 1 9.429 0.020 . 1 . . . . A 4 CYS H . 34671 1 19 . 1 . 1 4 4 CYS HA H 1 5.336 0.020 . 1 . . . . A 4 CYS HA . 34671 1 20 . 1 . 1 4 4 CYS HB2 H 1 2.694 0.020 . 1 . . . . A 4 CYS HB2 . 34671 1 21 . 1 . 1 4 4 CYS HB3 H 1 2.751 0.020 . 1 . . . . A 4 CYS HB3 . 34671 1 22 . 1 . 1 5 5 PRO HA H 1 4.475 0.020 . 1 . . . . A 5 PRO HA . 34671 1 23 . 1 . 1 5 5 PRO HB2 H 1 2.014 0.020 . 2 . . . . A 5 PRO HB2 . 34671 1 24 . 1 . 1 5 5 PRO HB3 H 1 2.014 0.020 . 2 . . . . A 5 PRO HB3 . 34671 1 25 . 1 . 1 5 5 PRO HG2 H 1 2.126 0.020 . 1 . . . . A 5 PRO HG2 . 34671 1 26 . 1 . 1 5 5 PRO HG3 H 1 2.283 0.020 . 1 . . . . A 5 PRO HG3 . 34671 1 27 . 1 . 1 5 5 PRO HD2 H 1 3.821 0.020 . 1 . . . . A 5 PRO HD2 . 34671 1 28 . 1 . 1 5 5 PRO HD3 H 1 4.045 0.020 . 1 . . . . A 5 PRO HD3 . 34671 1 29 . 1 . 1 6 6 ASN H H 1 6.972 0.020 . 1 . . . . A 6 ASN H . 34671 1 30 . 1 . 1 6 6 ASN HA H 1 4.582 0.020 . 1 . . . . A 6 ASN HA . 34671 1 31 . 1 . 1 6 6 ASN HB2 H 1 3.326 0.020 . 2 . . . . A 6 ASN HB2 . 34671 1 32 . 1 . 1 6 6 ASN HB3 H 1 3.326 0.020 . 2 . . . . A 6 ASN HB3 . 34671 1 33 . 1 . 1 6 6 ASN HD21 H 1 7.771 0.020 . 1 . . . . A 6 ASN HD21 . 34671 1 34 . 1 . 1 6 6 ASN HD22 H 1 7.055 0.020 . 1 . . . . A 6 ASN HD22 . 34671 1 35 . 1 . 1 7 7 THR H H 1 8.920 0.020 . 1 . . . . A 7 THR H . 34671 1 36 . 1 . 1 7 7 THR HA H 1 3.931 0.020 . 1 . . . . A 7 THR HA . 34671 1 37 . 1 . 1 7 7 THR HB H 1 4.254 0.020 . 1 . . . . A 7 THR HB . 34671 1 38 . 1 . 1 7 7 THR HG21 H 1 1.347 0.020 . 1 . . . . A 7 THR HG21 . 34671 1 39 . 1 . 1 7 7 THR HG22 H 1 1.347 0.020 . 1 . . . . A 7 THR HG22 . 34671 1 40 . 1 . 1 7 7 THR HG23 H 1 1.347 0.020 . 1 . . . . A 7 THR HG23 . 34671 1 41 . 1 . 1 8 8 THR H H 1 8.205 0.020 . 1 . . . . A 8 THR H . 34671 1 42 . 1 . 1 8 8 THR HA H 1 4.021 0.020 . 1 . . . . A 8 THR HA . 34671 1 43 . 1 . 1 8 8 THR HB H 1 4.076 0.020 . 1 . . . . A 8 THR HB . 34671 1 44 . 1 . 1 8 8 THR HG21 H 1 1.299 0.020 . 1 . . . . A 8 THR HG21 . 34671 1 45 . 1 . 1 8 8 THR HG22 H 1 1.299 0.020 . 1 . . . . A 8 THR HG22 . 34671 1 46 . 1 . 1 8 8 THR HG23 H 1 1.299 0.020 . 1 . . . . A 8 THR HG23 . 34671 1 47 . 1 . 1 9 9 GLY H H 1 8.673 0.020 . 1 . . . . A 9 GLY H . 34671 1 48 . 1 . 1 9 9 GLY HA2 H 1 4.066 0.020 . 1 . . . . A 9 GLY HA2 . 34671 1 49 . 1 . 1 9 9 GLY HA3 H 1 3.643 0.020 . 1 . . . . A 9 GLY HA3 . 34671 1 50 . 1 . 1 10 10 ARG H H 1 7.651 0.020 . 1 . . . . A 10 ARG H . 34671 1 51 . 1 . 1 10 10 ARG HA H 1 4.583 0.020 . 1 . . . . A 10 ARG HA . 34671 1 52 . 1 . 1 10 10 ARG HB2 H 1 1.711 0.020 . 1 . . . . A 10 ARG HB2 . 34671 1 53 . 1 . 1 10 10 ARG HB3 H 1 2.158 0.020 . 1 . . . . A 10 ARG HB3 . 34671 1 54 . 1 . 1 10 10 ARG HG2 H 1 1.716 0.020 . 2 . . . . A 10 ARG HG2 . 34671 1 55 . 1 . 1 10 10 ARG HG3 H 1 1.956 0.020 . 2 . . . . A 10 ARG HG3 . 34671 1 56 . 1 . 1 10 10 ARG HD2 H 1 3.331 0.020 . 2 . . . . A 10 ARG HD2 . 34671 1 57 . 1 . 1 10 10 ARG HD3 H 1 3.539 0.020 . 2 . . . . A 10 ARG HD3 . 34671 1 58 . 1 . 1 10 10 ARG HE H 1 8.852 0.020 . 1 . . . . A 10 ARG HE . 34671 1 59 . 1 . 1 11 11 ASN H H 1 8.528 0.020 . 1 . . . . A 11 ASN H . 34671 1 60 . 1 . 1 11 11 ASN HA H 1 4.627 0.020 . 1 . . . . A 11 ASN HA . 34671 1 61 . 1 . 1 11 11 ASN HB2 H 1 2.603 0.020 . 1 . . . . A 11 ASN HB2 . 34671 1 62 . 1 . 1 11 11 ASN HB3 H 1 3.097 0.020 . 1 . . . . A 11 ASN HB3 . 34671 1 63 . 1 . 1 11 11 ASN HD21 H 1 7.363 0.020 . 1 . . . . A 11 ASN HD21 . 34671 1 64 . 1 . 1 11 11 ASN HD22 H 1 7.019 0.020 . 1 . . . . A 11 ASN HD22 . 34671 1 65 . 1 . 1 12 12 ILE H H 1 8.619 0.020 . 1 . . . . A 12 ILE H . 34671 1 66 . 1 . 1 12 12 ILE HA H 1 3.624 0.020 . 1 . . . . A 12 ILE HA . 34671 1 67 . 1 . 1 12 12 ILE HB H 1 1.910 0.020 . 1 . . . . A 12 ILE HB . 34671 1 68 . 1 . 1 12 12 ILE HG12 H 1 2.090 0.020 . 2 . . . . A 12 ILE HG12 . 34671 1 69 . 1 . 1 12 12 ILE HG13 H 1 0.948 0.020 . 2 . . . . A 12 ILE HG13 . 34671 1 70 . 1 . 1 12 12 ILE HG21 H 1 0.850 0.020 . 1 . . . . A 12 ILE HG21 . 34671 1 71 . 1 . 1 12 12 ILE HG22 H 1 0.850 0.020 . 1 . . . . A 12 ILE HG22 . 34671 1 72 . 1 . 1 12 12 ILE HG23 H 1 0.850 0.020 . 1 . . . . A 12 ILE HG23 . 34671 1 73 . 1 . 1 12 12 ILE HD11 H 1 0.941 0.020 . 1 . . . . A 12 ILE HD11 . 34671 1 74 . 1 . 1 12 12 ILE HD12 H 1 0.941 0.020 . 1 . . . . A 12 ILE HD12 . 34671 1 75 . 1 . 1 12 12 ILE HD13 H 1 0.941 0.020 . 1 . . . . A 12 ILE HD13 . 34671 1 76 . 1 . 1 13 13 TYR H H 1 9.042 0.020 . 1 . . . . A 13 TYR H . 34671 1 77 . 1 . 1 13 13 TYR HA H 1 3.666 0.020 . 1 . . . . A 13 TYR HA . 34671 1 78 . 1 . 1 13 13 TYR HB2 H 1 3.162 0.020 . 2 . . . . A 13 TYR HB2 . 34671 1 79 . 1 . 1 13 13 TYR HB3 H 1 3.162 0.020 . 2 . . . . A 13 TYR HB3 . 34671 1 80 . 1 . 1 13 13 TYR HD1 H 1 6.950 0.020 . 1 . . . . A 13 TYR HD1 . 34671 1 81 . 1 . 1 13 13 TYR HD2 H 1 6.950 0.020 . 1 . . . . A 13 TYR HD2 . 34671 1 82 . 1 . 1 13 13 TYR HE1 H 1 6.809 0.020 . 1 . . . . A 13 TYR HE1 . 34671 1 83 . 1 . 1 13 13 TYR HE2 H 1 6.809 0.020 . 1 . . . . A 13 TYR HE2 . 34671 1 84 . 1 . 1 14 14 ASN H H 1 8.909 0.020 . 1 . . . . A 14 ASN H . 34671 1 85 . 1 . 1 14 14 ASN HA H 1 4.344 0.020 . 1 . . . . A 14 ASN HA . 34671 1 86 . 1 . 1 14 14 ASN HB2 H 1 3.130 0.020 . 1 . . . . A 14 ASN HB2 . 34671 1 87 . 1 . 1 14 14 ASN HB3 H 1 2.856 0.020 . 1 . . . . A 14 ASN HB3 . 34671 1 88 . 1 . 1 14 14 ASN HD21 H 1 7.926 0.020 . 1 . . . . A 14 ASN HD21 . 34671 1 89 . 1 . 1 14 14 ASN HD22 H 1 6.899 0.020 . 1 . . . . A 14 ASN HD22 . 34671 1 90 . 1 . 1 15 15 ALA H H 1 8.289 0.020 . 1 . . . . A 15 ALA H . 34671 1 91 . 1 . 1 15 15 ALA HA H 1 4.050 0.020 . 1 . . . . A 15 ALA HA . 34671 1 92 . 1 . 1 15 15 ALA HB1 H 1 1.494 0.020 . 1 . . . . A 15 ALA HB1 . 34671 1 93 . 1 . 1 15 15 ALA HB2 H 1 1.494 0.020 . 1 . . . . A 15 ALA HB2 . 34671 1 94 . 1 . 1 15 15 ALA HB3 H 1 1.494 0.020 . 1 . . . . A 15 ALA HB3 . 34671 1 95 . 1 . 1 16 16 CYS H H 1 8.479 0.020 . 1 . . . . A 16 CYS H . 34671 1 96 . 1 . 1 16 16 CYS HA H 1 3.971 0.020 . 1 . . . . A 16 CYS HA . 34671 1 97 . 1 . 1 16 16 CYS HB2 H 1 2.868 0.020 . 1 . . . . A 16 CYS HB2 . 34671 1 98 . 1 . 1 16 16 CYS HB3 H 1 3.434 0.020 . 1 . . . . A 16 CYS HB3 . 34671 1 99 . 1 . 1 17 17 ARG H H 1 8.673 0.020 . 1 . . . . A 17 ARG H . 34671 1 100 . 1 . 1 17 17 ARG HA H 1 3.976 0.020 . 1 . . . . A 17 ARG HA . 34671 1 101 . 1 . 1 17 17 ARG HB2 H 1 1.892 0.020 . 1 . . . . A 17 ARG HB2 . 34671 1 102 . 1 . 1 17 17 ARG HB3 H 1 1.770 0.020 . 1 . . . . A 17 ARG HB3 . 34671 1 103 . 1 . 1 17 17 ARG HG2 H 1 1.084 0.020 . 2 . . . . A 17 ARG HG2 . 34671 1 104 . 1 . 1 17 17 ARG HG3 H 1 1.439 0.020 . 2 . . . . A 17 ARG HG3 . 34671 1 105 . 1 . 1 17 17 ARG HD2 H 1 2.693 0.020 . 2 . . . . A 17 ARG HD2 . 34671 1 106 . 1 . 1 17 17 ARG HD3 H 1 3.197 0.020 . 2 . . . . A 17 ARG HD3 . 34671 1 107 . 1 . 1 17 17 ARG HE H 1 7.432 0.020 . 1 . . . . A 17 ARG HE . 34671 1 108 . 1 . 1 18 18 LEU H H 1 7.865 0.020 . 1 . . . . A 18 LEU H . 34671 1 109 . 1 . 1 18 18 LEU HA H 1 4.167 0.020 . 1 . . . . A 18 LEU HA . 34671 1 110 . 1 . 1 18 18 LEU HB2 H 1 2.133 0.020 . 1 . . . . A 18 LEU HB2 . 34671 1 111 . 1 . 1 18 18 LEU HB3 H 1 1.687 0.020 . 1 . . . . A 18 LEU HB3 . 34671 1 112 . 1 . 1 18 18 LEU HG H 1 2.018 0.020 . 1 . . . . A 18 LEU HG . 34671 1 113 . 1 . 1 18 18 LEU HD11 H 1 0.992 0.020 . 1 . . . . A 18 LEU HD11 . 34671 1 114 . 1 . 1 18 18 LEU HD12 H 1 0.992 0.020 . 1 . . . . A 18 LEU HD12 . 34671 1 115 . 1 . 1 18 18 LEU HD13 H 1 0.992 0.020 . 1 . . . . A 18 LEU HD13 . 34671 1 116 . 1 . 1 18 18 LEU HD21 H 1 0.956 0.020 . 1 . . . . A 18 LEU HD21 . 34671 1 117 . 1 . 1 18 18 LEU HD22 H 1 0.956 0.020 . 1 . . . . A 18 LEU HD22 . 34671 1 118 . 1 . 1 18 18 LEU HD23 H 1 0.956 0.020 . 1 . . . . A 18 LEU HD23 . 34671 1 119 . 1 . 1 19 19 THR H H 1 7.407 0.020 . 1 . . . . A 19 THR H . 34671 1 120 . 1 . 1 19 19 THR HA H 1 4.108 0.020 . 1 . . . . A 19 THR HA . 34671 1 121 . 1 . 1 19 19 THR HB H 1 4.407 0.020 . 1 . . . . A 19 THR HB . 34671 1 122 . 1 . 1 19 19 THR HG21 H 1 1.390 0.020 . 1 . . . . A 19 THR HG21 . 34671 1 123 . 1 . 1 19 19 THR HG22 H 1 1.390 0.020 . 1 . . . . A 19 THR HG22 . 34671 1 124 . 1 . 1 19 19 THR HG23 H 1 1.390 0.020 . 1 . . . . A 19 THR HG23 . 34671 1 125 . 1 . 1 20 20 GLY H H 1 7.736 0.020 . 1 . . . . A 20 GLY H . 34671 1 126 . 1 . 1 20 20 GLY HA2 H 1 3.609 0.020 . 1 . . . . A 20 GLY HA2 . 34671 1 127 . 1 . 1 20 20 GLY HA3 H 1 4.343 0.020 . 1 . . . . A 20 GLY HA3 . 34671 1 128 . 1 . 1 21 21 ALA H H 1 7.443 0.020 . 1 . . . . A 21 ALA H . 34671 1 129 . 1 . 1 21 21 ALA HA H 1 4.356 0.020 . 1 . . . . A 21 ALA HA . 34671 1 130 . 1 . 1 21 21 ALA HB1 H 1 1.240 0.020 . 1 . . . . A 21 ALA HB1 . 34671 1 131 . 1 . 1 21 21 ALA HB2 H 1 1.240 0.020 . 1 . . . . A 21 ALA HB2 . 34671 1 132 . 1 . 1 21 21 ALA HB3 H 1 1.240 0.020 . 1 . . . . A 21 ALA HB3 . 34671 1 133 . 1 . 1 22 22 PRO HA H 1 4.467 0.020 . 1 . . . . A 22 PRO HA . 34671 1 134 . 1 . 1 22 22 PRO HB2 H 1 2.012 0.020 . 1 . . . . A 22 PRO HB2 . 34671 1 135 . 1 . 1 22 22 PRO HB3 H 1 2.568 0.020 . 1 . . . . A 22 PRO HB3 . 34671 1 136 . 1 . 1 22 22 PRO HG2 H 1 2.189 0.020 . 2 . . . . A 22 PRO HG2 . 34671 1 137 . 1 . 1 22 22 PRO HG3 H 1 2.189 0.020 . 2 . . . . A 22 PRO HG3 . 34671 1 138 . 1 . 1 22 22 PRO HD2 H 1 3.458 0.020 . 1 . . . . A 22 PRO HD2 . 34671 1 139 . 1 . 1 22 22 PRO HD3 H 1 3.968 0.020 . 1 . . . . A 22 PRO HD3 . 34671 1 140 . 1 . 1 23 23 ARG H H 1 9.081 0.020 . 1 . . . . A 23 ARG H . 34671 1 141 . 1 . 1 23 23 ARG HA H 1 3.906 0.020 . 1 . . . . A 23 ARG HA . 34671 1 142 . 1 . 1 23 23 ARG HB2 H 1 1.937 0.020 . 2 . . . . A 23 ARG HB2 . 34671 1 143 . 1 . 1 23 23 ARG HB3 H 1 1.937 0.020 . 2 . . . . A 23 ARG HB3 . 34671 1 144 . 1 . 1 23 23 ARG HG2 H 1 1.690 0.020 . 2 . . . . A 23 ARG HG2 . 34671 1 145 . 1 . 1 23 23 ARG HG3 H 1 1.690 0.020 . 2 . . . . A 23 ARG HG3 . 34671 1 146 . 1 . 1 23 23 ARG HD2 H 1 3.206 0.020 . 2 . . . . A 23 ARG HD2 . 34671 1 147 . 1 . 1 23 23 ARG HD3 H 1 3.301 0.020 . 2 . . . . A 23 ARG HD3 . 34671 1 148 . 1 . 1 24 24 PRO HA H 1 4.360 0.020 . 1 . . . . A 24 PRO HA . 34671 1 149 . 1 . 1 24 24 PRO HB2 H 1 2.025 0.020 . 1 . . . . A 24 PRO HB2 . 34671 1 150 . 1 . 1 24 24 PRO HB3 H 1 2.426 0.020 . 1 . . . . A 24 PRO HB3 . 34671 1 151 . 1 . 1 24 24 PRO HG2 H 1 2.020 0.020 . 1 . . . . A 24 PRO HG2 . 34671 1 152 . 1 . 1 24 24 PRO HG3 H 1 2.172 0.020 . 1 . . . . A 24 PRO HG3 . 34671 1 153 . 1 . 1 24 24 PRO HD2 H 1 3.723 0.020 . 1 . . . . A 24 PRO HD2 . 34671 1 154 . 1 . 1 24 24 PRO HD3 H 1 3.862 0.020 . 1 . . . . A 24 PRO HD3 . 34671 1 155 . 1 . 1 25 25 THR H H 1 6.907 0.020 . 1 . . . . A 25 THR H . 34671 1 156 . 1 . 1 25 25 THR HA H 1 4.000 0.020 . 1 . . . . A 25 THR HA . 34671 1 157 . 1 . 1 25 25 THR HB H 1 4.173 0.020 . 1 . . . . A 25 THR HB . 34671 1 158 . 1 . 1 25 25 THR HG21 H 1 1.208 0.020 . 1 . . . . A 25 THR HG21 . 34671 1 159 . 1 . 1 25 25 THR HG22 H 1 1.208 0.020 . 1 . . . . A 25 THR HG22 . 34671 1 160 . 1 . 1 25 25 THR HG23 H 1 1.208 0.020 . 1 . . . . A 25 THR HG23 . 34671 1 161 . 1 . 1 26 26 CYS H H 1 7.974 0.020 . 1 . . . . A 26 CYS H . 34671 1 162 . 1 . 1 26 26 CYS HA H 1 4.691 0.020 . 1 . . . . A 26 CYS HA . 34671 1 163 . 1 . 1 26 26 CYS HB2 H 1 2.369 0.020 . 1 . . . . A 26 CYS HB2 . 34671 1 164 . 1 . 1 26 26 CYS HB3 H 1 2.755 0.020 . 1 . . . . A 26 CYS HB3 . 34671 1 165 . 1 . 1 27 27 ALA H H 1 9.455 0.020 . 1 . . . . A 27 ALA H . 34671 1 166 . 1 . 1 27 27 ALA HA H 1 3.990 0.020 . 1 . . . . A 27 ALA HA . 34671 1 167 . 1 . 1 27 27 ALA HB1 H 1 1.538 0.020 . 1 . . . . A 27 ALA HB1 . 34671 1 168 . 1 . 1 27 27 ALA HB2 H 1 1.538 0.020 . 1 . . . . A 27 ALA HB2 . 34671 1 169 . 1 . 1 27 27 ALA HB3 H 1 1.538 0.020 . 1 . . . . A 27 ALA HB3 . 34671 1 170 . 1 . 1 28 28 LYS H H 1 7.687 0.020 . 1 . . . . A 28 LYS H . 34671 1 171 . 1 . 1 28 28 LYS HA H 1 4.148 0.020 . 1 . . . . A 28 LYS HA . 34671 1 172 . 1 . 1 28 28 LYS HB2 H 1 2.072 0.020 . 1 . . . . A 28 LYS HB2 . 34671 1 173 . 1 . 1 28 28 LYS HB3 H 1 1.621 0.020 . 1 . . . . A 28 LYS HB3 . 34671 1 174 . 1 . 1 28 28 LYS HG2 H 1 2.072 0.020 . 2 . . . . A 28 LYS HG2 . 34671 1 175 . 1 . 1 28 28 LYS HG3 H 1 1.534 0.020 . 2 . . . . A 28 LYS HG3 . 34671 1 176 . 1 . 1 28 28 LYS HD2 H 1 1.774 0.020 . 2 . . . . A 28 LYS HD2 . 34671 1 177 . 1 . 1 28 28 LYS HD3 H 1 1.774 0.020 . 2 . . . . A 28 LYS HD3 . 34671 1 178 . 1 . 1 28 28 LYS HE2 H 1 3.015 0.020 . 2 . . . . A 28 LYS HE2 . 34671 1 179 . 1 . 1 28 28 LYS HE3 H 1 3.015 0.020 . 2 . . . . A 28 LYS HE3 . 34671 1 180 . 1 . 1 29 29 LEU H H 1 7.807 0.020 . 1 . . . . A 29 LEU H . 34671 1 181 . 1 . 1 29 29 LEU HA H 1 4.133 0.020 . 1 . . . . A 29 LEU HA . 34671 1 182 . 1 . 1 29 29 LEU HB2 H 1 1.734 0.020 . 1 . . . . A 29 LEU HB2 . 34671 1 183 . 1 . 1 29 29 LEU HB3 H 1 1.604 0.020 . 1 . . . . A 29 LEU HB3 . 34671 1 184 . 1 . 1 29 29 LEU HG H 1 1.914 0.020 . 1 . . . . A 29 LEU HG . 34671 1 185 . 1 . 1 29 29 LEU HD11 H 1 0.907 0.020 . 2 . . . . A 29 LEU HD11 . 34671 1 186 . 1 . 1 29 29 LEU HD12 H 1 0.907 0.020 . 2 . . . . A 29 LEU HD12 . 34671 1 187 . 1 . 1 29 29 LEU HD13 H 1 0.907 0.020 . 2 . . . . A 29 LEU HD13 . 34671 1 188 . 1 . 1 29 29 LEU HD21 H 1 0.907 0.020 . 2 . . . . A 29 LEU HD21 . 34671 1 189 . 1 . 1 29 29 LEU HD22 H 1 0.907 0.020 . 2 . . . . A 29 LEU HD22 . 34671 1 190 . 1 . 1 29 29 LEU HD23 H 1 0.907 0.020 . 2 . . . . A 29 LEU HD23 . 34671 1 191 . 1 . 1 30 30 SER H H 1 7.486 0.020 . 1 . . . . A 30 SER H . 34671 1 192 . 1 . 1 30 30 SER HA H 1 4.295 0.020 . 1 . . . . A 30 SER HA . 34671 1 193 . 1 . 1 30 30 SER HB2 H 1 4.794 0.020 . 1 . . . . A 30 SER HB2 . 34671 1 194 . 1 . 1 30 30 SER HB3 H 1 3.795 0.020 . 1 . . . . A 30 SER HB3 . 34671 1 195 . 1 . 1 30 30 SER HG H 1 5.678 0.020 . 1 . . . . A 30 SER HG . 34671 1 196 . 1 . 1 31 31 GLY H H 1 8.014 0.020 . 1 . . . . A 31 GLY H . 34671 1 197 . 1 . 1 31 31 GLY HA2 H 1 3.988 0.020 . 1 . . . . A 31 GLY HA2 . 34671 1 198 . 1 . 1 31 31 GLY HA3 H 1 4.359 0.020 . 1 . . . . A 31 GLY HA3 . 34671 1 199 . 1 . 1 32 32 CYS H H 1 8.074 0.020 . 1 . . . . A 32 CYS H . 34671 1 200 . 1 . 1 32 32 CYS HA H 1 5.011 0.020 . 1 . . . . A 32 CYS HA . 34671 1 201 . 1 . 1 32 32 CYS HB2 H 1 3.028 0.020 . 1 . . . . A 32 CYS HB2 . 34671 1 202 . 1 . 1 32 32 CYS HB3 H 1 2.441 0.020 . 1 . . . . A 32 CYS HB3 . 34671 1 203 . 1 . 1 33 33 LYS H H 1 9.001 0.020 . 1 . . . . A 33 LYS H . 34671 1 204 . 1 . 1 33 33 LYS HA H 1 4.527 0.020 . 1 . . . . A 33 LYS HA . 34671 1 205 . 1 . 1 33 33 LYS HB2 H 1 1.079 0.020 . 1 . . . . A 33 LYS HB2 . 34671 1 206 . 1 . 1 33 33 LYS HB3 H 1 1.311 0.020 . 1 . . . . A 33 LYS HB3 . 34671 1 207 . 1 . 1 33 33 LYS HG2 H 1 0.774 0.020 . 2 . . . . A 33 LYS HG2 . 34671 1 208 . 1 . 1 33 33 LYS HG3 H 1 0.774 0.020 . 2 . . . . A 33 LYS HG3 . 34671 1 209 . 1 . 1 33 33 LYS HD2 H 1 0.902 0.020 . 2 . . . . A 33 LYS HD2 . 34671 1 210 . 1 . 1 33 33 LYS HD3 H 1 1.117 0.020 . 2 . . . . A 33 LYS HD3 . 34671 1 211 . 1 . 1 33 33 LYS HE2 H 1 2.443 0.020 . 2 . . . . A 33 LYS HE2 . 34671 1 212 . 1 . 1 33 33 LYS HE3 H 1 2.512 0.020 . 2 . . . . A 33 LYS HE3 . 34671 1 213 . 1 . 1 34 34 ILE H H 1 8.463 0.020 . 1 . . . . A 34 ILE H . 34671 1 214 . 1 . 1 34 34 ILE HA H 1 4.571 0.020 . 1 . . . . A 34 ILE HA . 34671 1 215 . 1 . 1 34 34 ILE HB H 1 1.882 0.020 . 1 . . . . A 34 ILE HB . 34671 1 216 . 1 . 1 34 34 ILE HG12 H 1 1.283 0.020 . 2 . . . . A 34 ILE HG12 . 34671 1 217 . 1 . 1 34 34 ILE HG13 H 1 1.170 0.020 . 2 . . . . A 34 ILE HG13 . 34671 1 218 . 1 . 1 34 34 ILE HG21 H 1 0.756 0.020 . 1 . . . . A 34 ILE HG21 . 34671 1 219 . 1 . 1 34 34 ILE HG22 H 1 0.756 0.020 . 1 . . . . A 34 ILE HG22 . 34671 1 220 . 1 . 1 34 34 ILE HG23 H 1 0.756 0.020 . 1 . . . . A 34 ILE HG23 . 34671 1 221 . 1 . 1 34 34 ILE HD11 H 1 0.680 0.020 . 1 . . . . A 34 ILE HD11 . 34671 1 222 . 1 . 1 34 34 ILE HD12 H 1 0.680 0.020 . 1 . . . . A 34 ILE HD12 . 34671 1 223 . 1 . 1 34 34 ILE HD13 H 1 0.680 0.020 . 1 . . . . A 34 ILE HD13 . 34671 1 224 . 1 . 1 35 35 ILE H H 1 8.673 0.020 . 1 . . . . A 35 ILE H . 34671 1 225 . 1 . 1 35 35 ILE HA H 1 4.760 0.020 . 1 . . . . A 35 ILE HA . 34671 1 226 . 1 . 1 35 35 ILE HB H 1 2.017 0.020 . 1 . . . . A 35 ILE HB . 34671 1 227 . 1 . 1 35 35 ILE HG12 H 1 1.310 0.020 . 2 . . . . A 35 ILE HG12 . 34671 1 228 . 1 . 1 35 35 ILE HG13 H 1 1.025 0.020 . 2 . . . . A 35 ILE HG13 . 34671 1 229 . 1 . 1 35 35 ILE HG21 H 1 0.772 0.020 . 1 . . . . A 35 ILE HG21 . 34671 1 230 . 1 . 1 35 35 ILE HG22 H 1 0.772 0.020 . 1 . . . . A 35 ILE HG22 . 34671 1 231 . 1 . 1 35 35 ILE HG23 H 1 0.772 0.020 . 1 . . . . A 35 ILE HG23 . 34671 1 232 . 1 . 1 35 35 ILE HD11 H 1 0.622 0.020 . 1 . . . . A 35 ILE HD11 . 34671 1 233 . 1 . 1 35 35 ILE HD12 H 1 0.622 0.020 . 1 . . . . A 35 ILE HD12 . 34671 1 234 . 1 . 1 35 35 ILE HD13 H 1 0.622 0.020 . 1 . . . . A 35 ILE HD13 . 34671 1 235 . 1 . 1 36 36 SER H H 1 8.655 0.020 . 1 . . . . A 36 SER H . 34671 1 236 . 1 . 1 36 36 SER HA H 1 4.577 0.020 . 1 . . . . A 36 SER HA . 34671 1 237 . 1 . 1 36 36 SER HB2 H 1 3.897 0.020 . 2 . . . . A 36 SER HB2 . 34671 1 238 . 1 . 1 36 36 SER HB3 H 1 3.897 0.020 . 2 . . . . A 36 SER HB3 . 34671 1 239 . 1 . 1 37 37 GLY H H 1 7.702 0.020 . 1 . . . . A 37 GLY H . 34671 1 240 . 1 . 1 37 37 GLY HA2 H 1 4.077 0.020 . 1 . . . . A 37 GLY HA2 . 34671 1 241 . 1 . 1 37 37 GLY HA3 H 1 4.218 0.020 . 1 . . . . A 37 GLY HA3 . 34671 1 242 . 1 . 1 38 38 SER H H 1 8.243 0.020 . 1 . . . . A 38 SER H . 34671 1 243 . 1 . 1 38 38 SER HA H 1 4.534 0.020 . 1 . . . . A 38 SER HA . 34671 1 244 . 1 . 1 38 38 SER HB2 H 1 3.956 0.020 . 1 . . . . A 38 SER HB2 . 34671 1 245 . 1 . 1 38 38 SER HB3 H 1 3.897 0.020 . 1 . . . . A 38 SER HB3 . 34671 1 246 . 1 . 1 39 39 THR H H 1 7.816 0.020 . 1 . . . . A 39 THR H . 34671 1 247 . 1 . 1 39 39 THR HA H 1 4.519 0.020 . 1 . . . . A 39 THR HA . 34671 1 248 . 1 . 1 39 39 THR HB H 1 3.938 0.020 . 1 . . . . A 39 THR HB . 34671 1 249 . 1 . 1 39 39 THR HG21 H 1 1.197 0.020 . 1 . . . . A 39 THR HG21 . 34671 1 250 . 1 . 1 39 39 THR HG22 H 1 1.197 0.020 . 1 . . . . A 39 THR HG22 . 34671 1 251 . 1 . 1 39 39 THR HG23 H 1 1.197 0.020 . 1 . . . . A 39 THR HG23 . 34671 1 252 . 1 . 1 40 40 CYS H H 1 8.992 0.020 . 1 . . . . A 40 CYS H . 34671 1 253 . 1 . 1 40 40 CYS HA H 1 4.852 0.020 . 1 . . . . A 40 CYS HA . 34671 1 254 . 1 . 1 40 40 CYS HB2 H 1 2.655 0.020 . 1 . . . . A 40 CYS HB2 . 34671 1 255 . 1 . 1 40 40 CYS HB3 H 1 3.720 0.020 . 1 . . . . A 40 CYS HB3 . 34671 1 256 . 1 . 1 41 41 PRO HA H 1 4.693 0.020 . 1 . . . . A 41 PRO HA . 34671 1 257 . 1 . 1 41 41 PRO HB2 H 1 2.359 0.020 . 1 . . . . A 41 PRO HB2 . 34671 1 258 . 1 . 1 41 41 PRO HB3 H 1 2.486 0.020 . 1 . . . . A 41 PRO HB3 . 34671 1 259 . 1 . 1 41 41 PRO HG2 H 1 2.023 0.020 . 1 . . . . A 41 PRO HG2 . 34671 1 260 . 1 . 1 41 41 PRO HG3 H 1 2.180 0.020 . 1 . . . . A 41 PRO HG3 . 34671 1 261 . 1 . 1 41 41 PRO HD2 H 1 3.663 0.020 . 1 . . . . A 41 PRO HD2 . 34671 1 262 . 1 . 1 41 41 PRO HD3 H 1 3.868 0.020 . 1 . . . . A 41 PRO HD3 . 34671 1 263 . 1 . 1 42 42 SER H H 1 8.744 0.020 . 1 . . . . A 42 SER H . 34671 1 264 . 1 . 1 42 42 SER HA H 1 4.050 0.020 . 1 . . . . A 42 SER HA . 34671 1 265 . 1 . 1 42 42 SER HB2 H 1 3.939 0.020 . 2 . . . . A 42 SER HB2 . 34671 1 266 . 1 . 1 42 42 SER HB3 H 1 3.939 0.020 . 2 . . . . A 42 SER HB3 . 34671 1 267 . 1 . 1 43 43 ASP H H 1 8.890 0.020 . 1 . . . . A 43 ASP H . 34671 1 268 . 1 . 1 43 43 ASP HA H 1 4.496 0.020 . 1 . . . . A 43 ASP HA . 34671 1 269 . 1 . 1 43 43 ASP HB2 H 1 2.691 0.020 . 2 . . . . A 43 ASP HB2 . 34671 1 270 . 1 . 1 43 43 ASP HB3 H 1 2.644 0.020 . 2 . . . . A 43 ASP HB3 . 34671 1 271 . 1 . 1 44 44 TYR H H 1 7.716 0.020 . 1 . . . . A 44 TYR H . 34671 1 272 . 1 . 1 44 44 TYR HA H 1 4.405 0.020 . 1 . . . . A 44 TYR HA . 34671 1 273 . 1 . 1 44 44 TYR HB2 H 1 2.384 0.020 . 1 . . . . A 44 TYR HB2 . 34671 1 274 . 1 . 1 44 44 TYR HB3 H 1 2.487 0.020 . 1 . . . . A 44 TYR HB3 . 34671 1 275 . 1 . 1 44 44 TYR HD1 H 1 6.845 0.020 . 1 . . . . A 44 TYR HD1 . 34671 1 276 . 1 . 1 44 44 TYR HD2 H 1 6.845 0.020 . 1 . . . . A 44 TYR HD2 . 34671 1 277 . 1 . 1 44 44 TYR HE1 H 1 6.946 0.020 . 1 . . . . A 44 TYR HE1 . 34671 1 278 . 1 . 1 44 44 TYR HE2 H 1 6.946 0.020 . 1 . . . . A 44 TYR HE2 . 34671 1 279 . 1 . 1 45 45 PRO HA H 1 4.575 0.020 . 1 . . . . A 45 PRO HA . 34671 1 280 . 1 . 1 45 45 PRO HB2 H 1 2.083 0.020 . 2 . . . . A 45 PRO HB2 . 34671 1 281 . 1 . 1 45 45 PRO HB3 H 1 2.083 0.020 . 2 . . . . A 45 PRO HB3 . 34671 1 282 . 1 . 1 45 45 PRO HG2 H 1 1.688 0.020 . 2 . . . . A 45 PRO HG2 . 34671 1 283 . 1 . 1 45 45 PRO HG3 H 1 1.688 0.020 . 2 . . . . A 45 PRO HG3 . 34671 1 284 . 1 . 1 45 45 PRO HD2 H 1 3.422 0.020 . 2 . . . . A 45 PRO HD2 . 34671 1 285 . 1 . 1 45 45 PRO HD3 H 1 3.422 0.020 . 2 . . . . A 45 PRO HD3 . 34671 1 286 . 1 . 1 46 46 LYS H H 1 8.328 0.020 . 1 . . . . A 46 LYS H . 34671 1 287 . 1 . 1 46 46 LYS HA H 1 4.362 0.020 . 1 . . . . A 46 LYS HA . 34671 1 288 . 1 . 1 46 46 LYS HB2 H 1 1.184 0.020 . 2 . . . . A 46 LYS HB2 . 34671 1 289 . 1 . 1 46 46 LYS HB3 H 1 1.184 0.020 . 2 . . . . A 46 LYS HB3 . 34671 1 290 . 1 . 1 46 46 LYS HG2 H 1 1.784 0.020 . 2 . . . . A 46 LYS HG2 . 34671 1 291 . 1 . 1 46 46 LYS HG3 H 1 1.784 0.020 . 2 . . . . A 46 LYS HG3 . 34671 1 292 . 1 . 1 46 46 LYS HD2 H 1 1.503 0.020 . 2 . . . . A 46 LYS HD2 . 34671 1 293 . 1 . 1 46 46 LYS HD3 H 1 1.628 0.020 . 2 . . . . A 46 LYS HD3 . 34671 1 294 . 1 . 1 46 46 LYS HE2 H 1 2.938 0.020 . 2 . . . . A 46 LYS HE2 . 34671 1 295 . 1 . 1 46 46 LYS HE3 H 1 3.024 0.020 . 2 . . . . A 46 LYS HE3 . 34671 1 stop_ save_