data_34348 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34348 _Entry.Title ; [1-40]Gga-AvBD11 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-01-08 _Entry.Accession_date 2019-01-08 _Entry.Last_release_date 2019-12-11 _Entry.Original_release_date 2019-12-11 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34348 stop_ 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 H. Meudal H. . . . 34348 2 K. Loth K. . . . 34348 3 A. Delmas A. F. . . 34348 4 C. Landon C. . . . 34348 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ANTIMICROBIAL PROTEIN' . 34348 'avian egg' . 34348 defensin . 34348 double-beta-defensin . 34348 'new fold' . 34348 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34348 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 76 34348 '15N chemical shifts' 34 34348 '1H chemical shifts' 270 34348 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 . . 2020-08-17 2019-01-08 update BMRB 'update entry citation' 34348 1 . . 2019-12-13 2019-01-08 original author 'original release' 34348 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6QES . 34348 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34348 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31871151 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structure, function, and evolution of Gga-AvBD11, the archetype of a structural avian-double-beta-defensin family ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 117 _Citation.Journal_issue 1 _Citation.Journal_ASTM PNASA6 _Citation.Journal_ISSN 1091-6490 _Citation.Journal_CSD 0040 _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 337 _Citation.Page_last 345 _Citation.Year 2020 _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 N. Guyot N. . . . 34348 1 2 H. Meudal H. . . . 34348 1 3 S. Trapp S. . . . 34348 1 4 S. Iochmann S. . . . 34348 1 5 A. Silvestre A. . . . 34348 1 6 G. Jousset G. . . . 34348 1 7 V. Labas V. . . . 34348 1 8 P. Reverdiau P. . . . 34348 1 9 K. Loth K. . . . 34348 1 10 V. Herve V. . . . 34348 1 11 V. Aucagne V. . . . 34348 1 12 A. Delmas A. F. . . 34348 1 13 S. Rehault-Godbert S. . . . 34348 1 14 C. Landon C. . . . 34348 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34348 _Assembly.ID 1 _Assembly.Name Gallinacin-11 _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 entity_1 1 $entity_1 A A yes . . . . . . 34348 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 8 8 SG . 1 . 1 CYS 38 38 SG . . . . . . . . . . . . 34348 1 2 disulfide single . 1 . 1 CYS 15 15 SG . 1 . 1 CYS 31 31 SG . . . . . . . . . . . . 34348 1 3 disulfide single . 1 . 1 CYS 21 21 SG . 1 . 1 CYS 39 39 SG . . . . . . . . . . . . 34348 1 4 disulfide single . 1 . 1 CYS 31 31 SG . 1 . 1 CYS 38 38 SG . . . . . . . . . . . . 34348 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34348 _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 ; LPRDTSRCVGYHGYCIRSKV CPKPFAAFGTCSWRQKTCCV ; _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 40 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4534.363 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Beta-defensin 11' common 34348 1 Gal-11 common 34348 1 VMOII common 34348 1 'Vitelline membrane outer layer protein 2' common 34348 1 'Vitelline membrane outer layer protein II' common 34348 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . LEU . 34348 1 2 . PRO . 34348 1 3 . ARG . 34348 1 4 . ASP . 34348 1 5 . THR . 34348 1 6 . SER . 34348 1 7 . ARG . 34348 1 8 . CYS . 34348 1 9 . VAL . 34348 1 10 . GLY . 34348 1 11 . TYR . 34348 1 12 . HIS . 34348 1 13 . GLY . 34348 1 14 . TYR . 34348 1 15 . CYS . 34348 1 16 . ILE . 34348 1 17 . ARG . 34348 1 18 . SER . 34348 1 19 . LYS . 34348 1 20 . VAL . 34348 1 21 . CYS . 34348 1 22 . PRO . 34348 1 23 . LYS . 34348 1 24 . PRO . 34348 1 25 . PHE . 34348 1 26 . ALA . 34348 1 27 . ALA . 34348 1 28 . PHE . 34348 1 29 . GLY . 34348 1 30 . THR . 34348 1 31 . CYS . 34348 1 32 . SER . 34348 1 33 . TRP . 34348 1 34 . ARG . 34348 1 35 . GLN . 34348 1 36 . LYS . 34348 1 37 . THR . 34348 1 38 . CYS . 34348 1 39 . CYS . 34348 1 40 . VAL . 34348 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 . LEU 1 1 34348 1 . PRO 2 2 34348 1 . ARG 3 3 34348 1 . ASP 4 4 34348 1 . THR 5 5 34348 1 . SER 6 6 34348 1 . ARG 7 7 34348 1 . CYS 8 8 34348 1 . VAL 9 9 34348 1 . GLY 10 10 34348 1 . TYR 11 11 34348 1 . HIS 12 12 34348 1 . GLY 13 13 34348 1 . TYR 14 14 34348 1 . CYS 15 15 34348 1 . ILE 16 16 34348 1 . ARG 17 17 34348 1 . SER 18 18 34348 1 . LYS 19 19 34348 1 . VAL 20 20 34348 1 . CYS 21 21 34348 1 . PRO 22 22 34348 1 . LYS 23 23 34348 1 . PRO 24 24 34348 1 . PHE 25 25 34348 1 . ALA 26 26 34348 1 . ALA 27 27 34348 1 . PHE 28 28 34348 1 . GLY 29 29 34348 1 . THR 30 30 34348 1 . CYS 31 31 34348 1 . SER 32 32 34348 1 . TRP 33 33 34348 1 . ARG 34 34 34348 1 . GLN 35 35 34348 1 . LYS 36 36 34348 1 . THR 37 37 34348 1 . CYS 38 38 34348 1 . CYS 39 39 34348 1 . VAL 40 40 34348 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 34348 _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 . 9031 organism . 'Gallus gallus' Chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . 34348 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 34348 _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 . 'chemical synthesis' . . . . . . . . . . . . . . . . 34348 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34348 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.25 mM [1-40]Gga-AvBD11, 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 [1-40]Gga-AvBD11 'natural abundance' . . 1 $entity_1 . . 1.25 . . mM . . . . 34348 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 34348 _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' 0 . mM 34348 1 pH 4.5 . pH 34348 1 pressure 1 . atm 34348 1 temperature 298 . K 34348 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34348 _Software.ID 1 _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' . . 34348 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34348 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34348 _Software.ID 2 _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" . . 34348 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34348 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34348 _Software.ID 3 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34348 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34348 3 . 'peak picking' 34348 3 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 34348 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 34348 _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 HD' . 700 . . . 34348 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 34348 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34348 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34348 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34348 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34348 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 34348 _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 carbons' . . . . ppm 0 internal indirect 0.25144953 . . . . . 34348 1 H 1 DSS 'methyl carbons' . . . . ppm 0 internal direct 1.0 . . . . . 34348 1 N 15 DSS 'methyl carbons' . . . . ppm 0 internal indirect 0.10132912 . . . . . 34348 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 34348 _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-1H TOCSY' . . . 34348 1 2 '2D 1H-1H NOESY' . . . 34348 1 3 '2D 1H-15N HSQC' . . . 34348 1 4 '2D 1H-13C HSQC' . . . 34348 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 LEU HA H 1 4.302 0.000 . 1 . . . . A 1 LEU HA . 34348 1 2 . 1 . 1 1 1 LEU HB2 H 1 1.453 0.000 . 1 . . . . A 1 LEU HB2 . 34348 1 3 . 1 . 1 1 1 LEU HB3 H 1 1.655 0.000 . 1 . . . . A 1 LEU HB3 . 34348 1 4 . 1 . 1 1 1 LEU HG H 1 1.633 0.000 . 1 . . . . A 1 LEU HG . 34348 1 5 . 1 . 1 1 1 LEU HD11 H 1 0.892 0.000 . 1 . . . . A 1 LEU HD11 . 34348 1 6 . 1 . 1 1 1 LEU HD12 H 1 0.892 0.000 . 1 . . . . A 1 LEU HD12 . 34348 1 7 . 1 . 1 1 1 LEU HD13 H 1 0.892 0.000 . 1 . . . . A 1 LEU HD13 . 34348 1 8 . 1 . 1 1 1 LEU HD21 H 1 0.892 0.000 . 1 . . . . A 1 LEU HD21 . 34348 1 9 . 1 . 1 1 1 LEU HD22 H 1 0.892 0.000 . 1 . . . . A 1 LEU HD22 . 34348 1 10 . 1 . 1 1 1 LEU HD23 H 1 0.892 0.000 . 1 . . . . A 1 LEU HD23 . 34348 1 11 . 1 . 1 1 1 LEU CA C 13 50.266 0.000 . 1 . . . . A 1 LEU CA . 34348 1 12 . 1 . 1 1 1 LEU CB C 13 39.973 0.000 . 1 . . . . A 1 LEU CB . 34348 1 13 . 1 . 1 2 2 PRO HA H 1 4.001 0.000 . 1 . . . . A 2 PRO HA . 34348 1 14 . 1 . 1 2 2 PRO HB2 H 1 1.539 0.000 . 1 . . . . A 2 PRO HB2 . 34348 1 15 . 1 . 1 2 2 PRO HB3 H 1 0.676 0.000 . 1 . . . . A 2 PRO HB3 . 34348 1 16 . 1 . 1 2 2 PRO HG2 H 1 1.539 0.000 . 1 . . . . A 2 PRO HG2 . 34348 1 17 . 1 . 1 2 2 PRO HG3 H 1 1.660 0.000 . 1 . . . . A 2 PRO HG3 . 34348 1 18 . 1 . 1 2 2 PRO HD2 H 1 3.743 0.000 . 1 . . . . A 2 PRO HD2 . 34348 1 19 . 1 . 1 2 2 PRO HD3 H 1 3.217 0.000 . 1 . . . . A 2 PRO HD3 . 34348 1 20 . 1 . 1 2 2 PRO CA C 13 60.691 0.000 . 1 . . . . A 2 PRO CA . 34348 1 21 . 1 . 1 2 2 PRO CB C 13 28.760 0.000 . 1 . . . . A 2 PRO CB . 34348 1 22 . 1 . 1 3 3 ARG H H 1 7.393 0.000 . 1 . . . . A 3 ARG H . 34348 1 23 . 1 . 1 3 3 ARG HA H 1 3.948 0.000 . 1 . . . . A 3 ARG HA . 34348 1 24 . 1 . 1 3 3 ARG HB2 H 1 1.790 0.000 . 1 . . . . A 3 ARG HB2 . 34348 1 25 . 1 . 1 3 3 ARG HB3 H 1 1.906 0.000 . 1 . . . . A 3 ARG HB3 . 34348 1 26 . 1 . 1 3 3 ARG HG2 H 1 1.679 0.000 . 1 . . . . A 3 ARG HG2 . 34348 1 27 . 1 . 1 3 3 ARG HG3 H 1 1.679 0.000 . 1 . . . . A 3 ARG HG3 . 34348 1 28 . 1 . 1 3 3 ARG HD2 H 1 3.300 0.000 . 1 . . . . A 3 ARG HD2 . 34348 1 29 . 1 . 1 3 3 ARG HD3 H 1 3.948 0.000 . 1 . . . . A 3 ARG HD3 . 34348 1 30 . 1 . 1 3 3 ARG HE H 1 7.297 0.000 . 1 . . . . A 3 ARG HE . 34348 1 31 . 1 . 1 3 3 ARG CA C 13 56.627 0.000 . 1 . . . . A 3 ARG CA . 34348 1 32 . 1 . 1 3 3 ARG CB C 13 27.935 0.000 . 1 . . . . A 3 ARG CB . 34348 1 33 . 1 . 1 3 3 ARG N N 15 122.203 0.000 . 1 . . . . A 3 ARG N . 34348 1 34 . 1 . 1 4 4 ASP H H 1 8.479 0.000 . 1 . . . . A 4 ASP H . 34348 1 35 . 1 . 1 4 4 ASP HA H 1 4.254 0.000 . 1 . . . . A 4 ASP HA . 34348 1 36 . 1 . 1 4 4 ASP HB2 H 1 2.776 0.000 . 1 . . . . A 4 ASP HB2 . 34348 1 37 . 1 . 1 4 4 ASP HB3 H 1 2.554 0.000 . 1 . . . . A 4 ASP HB3 . 34348 1 38 . 1 . 1 4 4 ASP CA C 13 53.669 0.000 . 1 . . . . A 4 ASP CA . 34348 1 39 . 1 . 1 4 4 ASP CB C 13 33.868 0.000 . 1 . . . . A 4 ASP CB . 34348 1 40 . 1 . 1 4 4 ASP N N 15 117.153 0.000 . 1 . . . . A 4 ASP N . 34348 1 41 . 1 . 1 5 5 THR H H 1 7.461 0.000 . 1 . . . . A 5 THR H . 34348 1 42 . 1 . 1 5 5 THR HA H 1 3.950 0.000 . 1 . . . . A 5 THR HA . 34348 1 43 . 1 . 1 5 5 THR HB H 1 4.102 0.000 . 1 . . . . A 5 THR HB . 34348 1 44 . 1 . 1 5 5 THR HG1 H 1 6.639 0.000 . 1 . . . . A 5 THR HG1 . 34348 1 45 . 1 . 1 5 5 THR HG21 H 1 1.278 0.000 . 1 . . . . A 5 THR HG21 . 34348 1 46 . 1 . 1 5 5 THR HG22 H 1 1.278 0.000 . 1 . . . . A 5 THR HG22 . 34348 1 47 . 1 . 1 5 5 THR HG23 H 1 1.278 0.000 . 1 . . . . A 5 THR HG23 . 34348 1 48 . 1 . 1 5 5 THR CA C 13 64.275 0.000 . 1 . . . . A 5 THR CA . 34348 1 49 . 1 . 1 5 5 THR CB C 13 65.976 0.000 . 1 . . . . A 5 THR CB . 34348 1 50 . 1 . 1 5 5 THR N N 15 119.094 0.000 . 1 . . . . A 5 THR N . 34348 1 51 . 1 . 1 6 6 SER H H 1 8.223 0.000 . 1 . . . . A 6 SER H . 34348 1 52 . 1 . 1 6 6 SER HA H 1 3.910 0.000 . 1 . . . . A 6 SER HA . 34348 1 53 . 1 . 1 6 6 SER HB2 H 1 3.828 0.000 . 1 . . . . A 6 SER HB2 . 34348 1 54 . 1 . 1 6 6 SER HB3 H 1 3.827 0.000 . 1 . . . . A 6 SER HB3 . 34348 1 55 . 1 . 1 6 6 SER N N 15 115.075 0.000 . 1 . . . . A 6 SER N . 34348 1 56 . 1 . 1 7 7 ARG H H 1 7.762 0.000 . 1 . . . . A 7 ARG H . 34348 1 57 . 1 . 1 7 7 ARG HA H 1 3.977 0.000 . 1 . . . . A 7 ARG HA . 34348 1 58 . 1 . 1 7 7 ARG HB2 H 1 1.934 0.000 . 1 . . . . A 7 ARG HB2 . 34348 1 59 . 1 . 1 7 7 ARG HB3 H 1 1.935 0.000 . 1 . . . . A 7 ARG HB3 . 34348 1 60 . 1 . 1 7 7 ARG HG2 H 1 1.735 0.000 . 1 . . . . A 7 ARG HG2 . 34348 1 61 . 1 . 1 7 7 ARG HG3 H 1 1.586 0.000 . 1 . . . . A 7 ARG HG3 . 34348 1 62 . 1 . 1 7 7 ARG HD2 H 1 3.208 0.000 . 1 . . . . A 7 ARG HD2 . 34348 1 63 . 1 . 1 7 7 ARG HD3 H 1 3.208 0.000 . 1 . . . . A 7 ARG HD3 . 34348 1 64 . 1 . 1 7 7 ARG HE H 1 7.216 0.000 . 1 . . . . A 7 ARG HE . 34348 1 65 . 1 . 1 7 7 ARG CB C 13 30.366 0.000 . 1 . . . . A 7 ARG CB . 34348 1 66 . 1 . 1 7 7 ARG N N 15 123.221 0.000 . 1 . . . . A 7 ARG N . 34348 1 67 . 1 . 1 8 8 CYS H H 1 8.222 0.000 . 1 . . . . A 8 CYS H . 34348 1 68 . 1 . 1 8 8 CYS HA H 1 4.333 0.000 . 1 . . . . A 8 CYS HA . 34348 1 69 . 1 . 1 8 8 CYS HB2 H 1 3.067 0.000 . 1 . . . . A 8 CYS HB2 . 34348 1 70 . 1 . 1 8 8 CYS HB3 H 1 3.067 0.000 . 1 . . . . A 8 CYS HB3 . 34348 1 71 . 1 . 1 8 8 CYS CA C 13 56.750 0.000 . 1 . . . . A 8 CYS CA . 34348 1 72 . 1 . 1 8 8 CYS CB C 13 38.533 0.000 . 1 . . . . A 8 CYS CB . 34348 1 73 . 1 . 1 8 8 CYS N N 15 119.225 0.000 . 1 . . . . A 8 CYS N . 34348 1 74 . 1 . 1 9 9 VAL H H 1 8.541 0.000 . 1 . . . . A 9 VAL H . 34348 1 75 . 1 . 1 9 9 VAL HA H 1 3.783 0.000 . 1 . . . . A 9 VAL HA . 34348 1 76 . 1 . 1 9 9 VAL HB H 1 2.087 0.000 . 1 . . . . A 9 VAL HB . 34348 1 77 . 1 . 1 9 9 VAL HG11 H 1 0.911 0.000 . 1 . . . . A 9 VAL HG11 . 34348 1 78 . 1 . 1 9 9 VAL HG12 H 1 0.911 0.000 . 1 . . . . A 9 VAL HG12 . 34348 1 79 . 1 . 1 9 9 VAL HG13 H 1 0.911 0.000 . 1 . . . . A 9 VAL HG13 . 34348 1 80 . 1 . 1 9 9 VAL HG21 H 1 0.967 0.000 . 1 . . . . A 9 VAL HG21 . 34348 1 81 . 1 . 1 9 9 VAL HG22 H 1 0.967 0.000 . 1 . . . . A 9 VAL HG22 . 34348 1 82 . 1 . 1 9 9 VAL HG23 H 1 0.967 0.000 . 1 . . . . A 9 VAL HG23 . 34348 1 83 . 1 . 1 9 9 VAL CA C 13 63.105 0.000 . 1 . . . . A 9 VAL CA . 34348 1 84 . 1 . 1 9 9 VAL CB C 13 29.037 0.000 . 1 . . . . A 9 VAL CB . 34348 1 85 . 1 . 1 9 9 VAL N N 15 118.030 0.000 . 1 . . . . A 9 VAL N . 34348 1 86 . 1 . 1 10 10 GLY H H 1 8.034 0.000 . 1 . . . . A 10 GLY H . 34348 1 87 . 1 . 1 10 10 GLY HA2 H 1 3.816 0.000 . 1 . . . . A 10 GLY HA2 . 34348 1 88 . 1 . 1 10 10 GLY HA3 H 1 3.816 0.000 . 1 . . . . A 10 GLY HA3 . 34348 1 89 . 1 . 1 10 10 GLY CA C 13 43.992 0.000 . 1 . . . . A 10 GLY CA . 34348 1 90 . 1 . 1 10 10 GLY N N 15 111.313 0.000 . 1 . . . . A 10 GLY N . 34348 1 91 . 1 . 1 11 11 TYR H H 1 7.432 0.000 . 1 . . . . A 11 TYR H . 34348 1 92 . 1 . 1 11 11 TYR HA H 1 4.602 0.000 . 1 . . . . A 11 TYR HA . 34348 1 93 . 1 . 1 11 11 TYR HB2 H 1 3.343 0.000 . 1 . . . . A 11 TYR HB2 . 34348 1 94 . 1 . 1 11 11 TYR HB3 H 1 2.847 0.000 . 1 . . . . A 11 TYR HB3 . 34348 1 95 . 1 . 1 11 11 TYR HD1 H 1 7.197 0.000 . 1 . . . . A 11 TYR HD1 . 34348 1 96 . 1 . 1 11 11 TYR HD2 H 1 7.197 0.000 . 1 . . . . A 11 TYR HD2 . 34348 1 97 . 1 . 1 11 11 TYR HE1 H 1 6.779 0.000 . 1 . . . . A 11 TYR HE1 . 34348 1 98 . 1 . 1 11 11 TYR HE2 H 1 6.779 0.000 . 1 . . . . A 11 TYR HE2 . 34348 1 99 . 1 . 1 11 11 TYR CA C 13 54.835 0.000 . 1 . . . . A 11 TYR CA . 34348 1 100 . 1 . 1 11 11 TYR CB C 13 35.359 0.000 . 1 . . . . A 11 TYR CB . 34348 1 101 . 1 . 1 11 11 TYR N N 15 119.082 0.000 . 1 . . . . A 11 TYR N . 34348 1 102 . 1 . 1 12 12 HIS H H 1 8.180 0.000 . 1 . . . . A 12 HIS H . 34348 1 103 . 1 . 1 12 12 HIS HA H 1 4.393 0.000 . 1 . . . . A 12 HIS HA . 34348 1 104 . 1 . 1 12 12 HIS HB2 H 1 3.519 0.000 . 1 . . . . A 12 HIS HB2 . 34348 1 105 . 1 . 1 12 12 HIS HB3 H 1 3.611 0.000 . 1 . . . . A 12 HIS HB3 . 34348 1 106 . 1 . 1 12 12 HIS HD2 H 1 7.258 0.000 . 1 . . . . A 12 HIS HD2 . 34348 1 107 . 1 . 1 12 12 HIS HE1 H 1 8.598 0.000 . 1 . . . . A 12 HIS HE1 . 34348 1 108 . 1 . 1 12 12 HIS CA C 13 53.704 0.000 . 1 . . . . A 12 HIS CA . 34348 1 109 . 1 . 1 12 12 HIS CB C 13 22.856 0.000 . 1 . . . . A 12 HIS CB . 34348 1 110 . 1 . 1 12 12 HIS N N 15 113.209 0.000 . 1 . . . . A 12 HIS N . 34348 1 111 . 1 . 1 13 13 GLY H H 1 8.305 0.000 . 1 . . . . A 13 GLY H . 34348 1 112 . 1 . 1 13 13 GLY HA2 H 1 3.520 0.000 . 1 . . . . A 13 GLY HA2 . 34348 1 113 . 1 . 1 13 13 GLY HA3 H 1 4.672 0.000 . 1 . . . . A 13 GLY HA3 . 34348 1 114 . 1 . 1 13 13 GLY CA C 13 42.388 0.000 . 1 . . . . A 13 GLY CA . 34348 1 115 . 1 . 1 13 13 GLY N N 15 106.528 0.000 . 1 . . . . A 13 GLY N . 34348 1 116 . 1 . 1 14 14 TYR H H 1 8.585 0.000 . 1 . . . . A 14 TYR H . 34348 1 117 . 1 . 1 14 14 TYR HA H 1 4.800 0.000 . 1 . . . . A 14 TYR HA . 34348 1 118 . 1 . 1 14 14 TYR HB2 H 1 2.812 0.000 . 1 . . . . A 14 TYR HB2 . 34348 1 119 . 1 . 1 14 14 TYR HB3 H 1 2.733 0.000 . 1 . . . . A 14 TYR HB3 . 34348 1 120 . 1 . 1 14 14 TYR HD1 H 1 6.746 0.000 . 1 . . . . A 14 TYR HD1 . 34348 1 121 . 1 . 1 14 14 TYR HD2 H 1 6.746 0.000 . 1 . . . . A 14 TYR HD2 . 34348 1 122 . 1 . 1 14 14 TYR HE1 H 1 6.076 0.000 . 1 . . . . A 14 TYR HE1 . 34348 1 123 . 1 . 1 14 14 TYR HE2 H 1 6.076 0.000 . 1 . . . . A 14 TYR HE2 . 34348 1 124 . 1 . 1 14 14 TYR CA C 13 52.809 0.000 . 1 . . . . A 14 TYR CA . 34348 1 125 . 1 . 1 14 14 TYR CB C 13 38.108 0.000 . 1 . . . . A 14 TYR CB . 34348 1 126 . 1 . 1 14 14 TYR N N 15 115.885 0.000 . 1 . . . . A 14 TYR N . 34348 1 127 . 1 . 1 15 15 CYS H H 1 8.552 0.000 . 1 . . . . A 15 CYS H . 34348 1 128 . 1 . 1 15 15 CYS HA H 1 5.461 0.000 . 1 . . . . A 15 CYS HA . 34348 1 129 . 1 . 1 15 15 CYS HB2 H 1 2.876 0.000 . 1 . . . . A 15 CYS HB2 . 34348 1 130 . 1 . 1 15 15 CYS HB3 H 1 2.521 0.000 . 1 . . . . A 15 CYS HB3 . 34348 1 131 . 1 . 1 15 15 CYS CA C 13 50.942 0.000 . 1 . . . . A 15 CYS CA . 34348 1 132 . 1 . 1 15 15 CYS CB C 13 38.471 0.000 . 1 . . . . A 15 CYS CB . 34348 1 133 . 1 . 1 15 15 CYS N N 15 120.625 0.000 . 1 . . . . A 15 CYS N . 34348 1 134 . 1 . 1 16 16 ILE H H 1 9.307 0.000 . 1 . . . . A 16 ILE H . 34348 1 135 . 1 . 1 16 16 ILE HA H 1 4.828 0.000 . 1 . . . . A 16 ILE HA . 34348 1 136 . 1 . 1 16 16 ILE HB H 1 1.933 0.000 . 1 . . . . A 16 ILE HB . 34348 1 137 . 1 . 1 16 16 ILE HG12 H 1 1.579 0.000 . 1 . . . . A 16 ILE HG12 . 34348 1 138 . 1 . 1 16 16 ILE HG13 H 1 1.006 0.000 . 1 . . . . A 16 ILE HG13 . 34348 1 139 . 1 . 1 16 16 ILE HG21 H 1 0.862 0.000 . 1 . . . . A 16 ILE HG21 . 34348 1 140 . 1 . 1 16 16 ILE HG22 H 1 0.862 0.000 . 1 . . . . A 16 ILE HG22 . 34348 1 141 . 1 . 1 16 16 ILE HG23 H 1 0.862 0.000 . 1 . . . . A 16 ILE HG23 . 34348 1 142 . 1 . 1 16 16 ILE HD11 H 1 0.805 0.000 . 1 . . . . A 16 ILE HD11 . 34348 1 143 . 1 . 1 16 16 ILE HD12 H 1 0.805 0.000 . 1 . . . . A 16 ILE HD12 . 34348 1 144 . 1 . 1 16 16 ILE HD13 H 1 0.805 0.000 . 1 . . . . A 16 ILE HD13 . 34348 1 145 . 1 . 1 16 16 ILE CA C 13 56.950 0.000 . 1 . . . . A 16 ILE CA . 34348 1 146 . 1 . 1 16 16 ILE CB C 13 40.157 0.000 . 1 . . . . A 16 ILE CB . 34348 1 147 . 1 . 1 16 16 ILE CG1 C 13 23.483 0.000 . 1 . . . . A 16 ILE CG1 . 34348 1 148 . 1 . 1 16 16 ILE CG2 C 13 15.465 0.000 . 1 . . . . A 16 ILE CG2 . 34348 1 149 . 1 . 1 16 16 ILE CD1 C 13 12.602 0.000 . 1 . . . . A 16 ILE CD1 . 34348 1 150 . 1 . 1 16 16 ILE N N 15 120.270 0.000 . 1 . . . . A 16 ILE N . 34348 1 151 . 1 . 1 17 17 ARG H H 1 8.785 0.000 . 1 . . . . A 17 ARG H . 34348 1 152 . 1 . 1 17 17 ARG HA H 1 4.430 0.000 . 1 . . . . A 17 ARG HA . 34348 1 153 . 1 . 1 17 17 ARG HB2 H 1 1.734 0.000 . 1 . . . . A 17 ARG HB2 . 34348 1 154 . 1 . 1 17 17 ARG HB3 H 1 1.995 0.000 . 1 . . . . A 17 ARG HB3 . 34348 1 155 . 1 . 1 17 17 ARG HG2 H 1 1.654 0.000 . 1 . . . . A 17 ARG HG2 . 34348 1 156 . 1 . 1 17 17 ARG HG3 H 1 1.654 0.000 . 1 . . . . A 17 ARG HG3 . 34348 1 157 . 1 . 1 17 17 ARG HD2 H 1 3.258 0.000 . 1 . . . . A 17 ARG HD2 . 34348 1 158 . 1 . 1 17 17 ARG HD3 H 1 3.258 0.000 . 1 . . . . A 17 ARG HD3 . 34348 1 159 . 1 . 1 17 17 ARG HE H 1 7.269 0.000 . 1 . . . . A 17 ARG HE . 34348 1 160 . 1 . 1 17 17 ARG CA C 13 54.388 0.000 . 1 . . . . A 17 ARG CA . 34348 1 161 . 1 . 1 17 17 ARG CB C 13 27.365 0.000 . 1 . . . . A 17 ARG CB . 34348 1 162 . 1 . 1 17 17 ARG N N 15 123.769 0.000 . 1 . . . . A 17 ARG N . 34348 1 163 . 1 . 1 18 18 SER H H 1 7.598 0.000 . 1 . . . . A 18 SER H . 34348 1 164 . 1 . 1 18 18 SER HA H 1 4.429 0.000 . 1 . . . . A 18 SER HA . 34348 1 165 . 1 . 1 18 18 SER HB2 H 1 3.748 0.000 . 1 . . . . A 18 SER HB2 . 34348 1 166 . 1 . 1 18 18 SER HB3 H 1 4.003 0.000 . 1 . . . . A 18 SER HB3 . 34348 1 167 . 1 . 1 18 18 SER CA C 13 54.941 0.000 . 1 . . . . A 18 SER CA . 34348 1 168 . 1 . 1 18 18 SER CB C 13 60.691 0.000 . 1 . . . . A 18 SER CB . 34348 1 169 . 1 . 1 18 18 SER N N 15 114.847 0.000 . 1 . . . . A 18 SER N . 34348 1 170 . 1 . 1 19 19 LYS H H 1 8.408 0.000 . 1 . . . . A 19 LYS H . 34348 1 171 . 1 . 1 19 19 LYS HA H 1 4.240 0.000 . 1 . . . . A 19 LYS HA . 34348 1 172 . 1 . 1 19 19 LYS HB2 H 1 1.930 0.000 . 1 . . . . A 19 LYS HB2 . 34348 1 173 . 1 . 1 19 19 LYS HB3 H 1 1.767 0.000 . 1 . . . . A 19 LYS HB3 . 34348 1 174 . 1 . 1 19 19 LYS HG2 H 1 1.524 0.000 . 1 . . . . A 19 LYS HG2 . 34348 1 175 . 1 . 1 19 19 LYS HG3 H 1 1.446 0.000 . 1 . . . . A 19 LYS HG3 . 34348 1 176 . 1 . 1 19 19 LYS HD2 H 1 1.647 0.000 . 1 . . . . A 19 LYS HD2 . 34348 1 177 . 1 . 1 19 19 LYS HD3 H 1 1.647 0.000 . 1 . . . . A 19 LYS HD3 . 34348 1 178 . 1 . 1 19 19 LYS HE2 H 1 2.983 0.000 . 1 . . . . A 19 LYS HE2 . 34348 1 179 . 1 . 1 19 19 LYS HE3 H 1 2.983 0.000 . 1 . . . . A 19 LYS HE3 . 34348 1 180 . 1 . 1 19 19 LYS CA C 13 54.618 0.000 . 1 . . . . A 19 LYS CA . 34348 1 181 . 1 . 1 19 19 LYS CB C 13 30.372 0.000 . 1 . . . . A 19 LYS CB . 34348 1 182 . 1 . 1 19 19 LYS N N 15 120.493 0.000 . 1 . . . . A 19 LYS N . 34348 1 183 . 1 . 1 20 20 VAL H H 1 7.699 0.000 . 1 . . . . A 20 VAL H . 34348 1 184 . 1 . 1 20 20 VAL HA H 1 4.261 0.000 . 1 . . . . A 20 VAL HA . 34348 1 185 . 1 . 1 20 20 VAL HB H 1 1.930 0.000 . 1 . . . . A 20 VAL HB . 34348 1 186 . 1 . 1 20 20 VAL HG11 H 1 0.882 0.000 . 1 . . . . A 20 VAL HG11 . 34348 1 187 . 1 . 1 20 20 VAL HG12 H 1 0.882 0.000 . 1 . . . . A 20 VAL HG12 . 34348 1 188 . 1 . 1 20 20 VAL HG13 H 1 0.882 0.000 . 1 . . . . A 20 VAL HG13 . 34348 1 189 . 1 . 1 20 20 VAL HG21 H 1 0.836 0.000 . 1 . . . . A 20 VAL HG21 . 34348 1 190 . 1 . 1 20 20 VAL HG22 H 1 0.836 0.000 . 1 . . . . A 20 VAL HG22 . 34348 1 191 . 1 . 1 20 20 VAL HG23 H 1 0.836 0.000 . 1 . . . . A 20 VAL HG23 . 34348 1 192 . 1 . 1 20 20 VAL CA C 13 57.617 0.000 . 1 . . . . A 20 VAL CA . 34348 1 193 . 1 . 1 20 20 VAL CB C 13 31.528 0.000 . 1 . . . . A 20 VAL CB . 34348 1 194 . 1 . 1 20 20 VAL N N 15 115.843 0.000 . 1 . . . . A 20 VAL N . 34348 1 195 . 1 . 1 21 21 CYS H H 1 8.761 0.000 . 1 . . . . A 21 CYS H . 34348 1 196 . 1 . 1 21 21 CYS HA H 1 4.687 0.000 . 1 . . . . A 21 CYS HA . 34348 1 197 . 1 . 1 21 21 CYS HB2 H 1 2.581 0.000 . 1 . . . . A 21 CYS HB2 . 34348 1 198 . 1 . 1 21 21 CYS HB3 H 1 2.581 0.000 . 1 . . . . A 21 CYS HB3 . 34348 1 199 . 1 . 1 21 21 CYS CA C 13 51.728 0.000 . 1 . . . . A 21 CYS CA . 34348 1 200 . 1 . 1 21 21 CYS CB C 13 39.020 0.000 . 1 . . . . A 21 CYS CB . 34348 1 201 . 1 . 1 21 21 CYS N N 15 124.217 0.000 . 1 . . . . A 21 CYS N . 34348 1 202 . 1 . 1 22 22 PRO HA H 1 4.548 0.000 . 1 . . . . A 22 PRO HA . 34348 1 203 . 1 . 1 22 22 PRO HB2 H 1 2.272 0.000 . 1 . . . . A 22 PRO HB2 . 34348 1 204 . 1 . 1 22 22 PRO HB3 H 1 2.018 0.000 . 1 . . . . A 22 PRO HB3 . 34348 1 205 . 1 . 1 22 22 PRO HG2 H 1 2.226 0.000 . 1 . . . . A 22 PRO HG2 . 34348 1 206 . 1 . 1 22 22 PRO HG3 H 1 2.130 0.000 . 1 . . . . A 22 PRO HG3 . 34348 1 207 . 1 . 1 22 22 PRO HD2 H 1 3.747 0.000 . 1 . . . . A 22 PRO HD2 . 34348 1 208 . 1 . 1 22 22 PRO HD3 H 1 3.837 0.000 . 1 . . . . A 22 PRO HD3 . 34348 1 209 . 1 . 1 22 22 PRO CA C 13 59.597 0.000 . 1 . . . . A 22 PRO CA . 34348 1 210 . 1 . 1 22 22 PRO CB C 13 28.905 0.000 . 1 . . . . A 22 PRO CB . 34348 1 211 . 1 . 1 22 22 PRO CG C 13 24.838 0.000 . 1 . . . . A 22 PRO CG . 34348 1 212 . 1 . 1 23 23 LYS H H 1 8.496 0.000 . 1 . . . . A 23 LYS H . 34348 1 213 . 1 . 1 23 23 LYS HA H 1 4.406 0.000 . 1 . . . . A 23 LYS HA . 34348 1 214 . 1 . 1 23 23 LYS HB2 H 1 1.732 0.000 . 1 . . . . A 23 LYS HB2 . 34348 1 215 . 1 . 1 23 23 LYS HB3 H 1 1.732 0.000 . 1 . . . . A 23 LYS HB3 . 34348 1 216 . 1 . 1 23 23 LYS HG2 H 1 1.481 0.000 . 1 . . . . A 23 LYS HG2 . 34348 1 217 . 1 . 1 23 23 LYS HG3 H 1 1.481 0.000 . 1 . . . . A 23 LYS HG3 . 34348 1 218 . 1 . 1 23 23 LYS HD2 H 1 1.617 0.000 . 1 . . . . A 23 LYS HD2 . 34348 1 219 . 1 . 1 23 23 LYS HD3 H 1 1.617 0.000 . 1 . . . . A 23 LYS HD3 . 34348 1 220 . 1 . 1 23 23 LYS HE2 H 1 3.008 0.000 . 1 . . . . A 23 LYS HE2 . 34348 1 221 . 1 . 1 23 23 LYS HE3 H 1 3.008 0.000 . 1 . . . . A 23 LYS HE3 . 34348 1 222 . 1 . 1 23 23 LYS CA C 13 52.933 0.000 . 1 . . . . A 23 LYS CA . 34348 1 223 . 1 . 1 23 23 LYS CB C 13 28.810 0.000 . 1 . . . . A 23 LYS CB . 34348 1 224 . 1 . 1 23 23 LYS N N 15 122.669 0.000 . 1 . . . . A 23 LYS N . 34348 1 225 . 1 . 1 24 24 PRO HA H 1 4.576 0.000 . 1 . . . . A 24 PRO HA . 34348 1 226 . 1 . 1 24 24 PRO HB2 H 1 1.873 0.000 . 1 . . . . A 24 PRO HB2 . 34348 1 227 . 1 . 1 24 24 PRO HB3 H 1 2.346 0.000 . 1 . . . . A 24 PRO HB3 . 34348 1 228 . 1 . 1 24 24 PRO HG2 H 1 0.997 0.000 . 1 . . . . A 24 PRO HG2 . 34348 1 229 . 1 . 1 24 24 PRO HG3 H 1 0.997 0.000 . 1 . . . . A 24 PRO HG3 . 34348 1 230 . 1 . 1 24 24 PRO HD2 H 1 2.790 0.000 . 1 . . . . A 24 PRO HD2 . 34348 1 231 . 1 . 1 24 24 PRO HD3 H 1 3.306 0.000 . 1 . . . . A 24 PRO HD3 . 34348 1 232 . 1 . 1 24 24 PRO CA C 13 61.129 0.000 . 1 . . . . A 24 PRO CA . 34348 1 233 . 1 . 1 24 24 PRO CB C 13 29.831 0.000 . 1 . . . . A 24 PRO CB . 34348 1 234 . 1 . 1 25 25 PHE H H 1 8.989 0.000 . 1 . . . . A 25 PHE H . 34348 1 235 . 1 . 1 25 25 PHE HA H 1 4.638 0.000 . 1 . . . . A 25 PHE HA . 34348 1 236 . 1 . 1 25 25 PHE HB2 H 1 3.219 0.000 . 1 . . . . A 25 PHE HB2 . 34348 1 237 . 1 . 1 25 25 PHE HB3 H 1 2.944 0.000 . 1 . . . . A 25 PHE HB3 . 34348 1 238 . 1 . 1 25 25 PHE HD1 H 1 7.200 0.000 . 1 . . . . A 25 PHE HD1 . 34348 1 239 . 1 . 1 25 25 PHE HD2 H 1 7.200 0.000 . 1 . . . . A 25 PHE HD2 . 34348 1 240 . 1 . 1 25 25 PHE HE1 H 1 7.396 0.000 . 1 . . . . A 25 PHE HE1 . 34348 1 241 . 1 . 1 25 25 PHE HE2 H 1 7.396 0.000 . 1 . . . . A 25 PHE HE2 . 34348 1 242 . 1 . 1 25 25 PHE CA C 13 55.269 0.000 . 1 . . . . A 25 PHE CA . 34348 1 243 . 1 . 1 25 25 PHE CB C 13 37.734 0.000 . 1 . . . . A 25 PHE CB . 34348 1 244 . 1 . 1 25 25 PHE N N 15 125.539 0.000 . 1 . . . . A 25 PHE N . 34348 1 245 . 1 . 1 26 26 ALA H H 1 8.933 0.000 . 1 . . . . A 26 ALA H . 34348 1 246 . 1 . 1 26 26 ALA HA H 1 4.656 0.000 . 1 . . . . A 26 ALA HA . 34348 1 247 . 1 . 1 26 26 ALA HB1 H 1 1.393 0.000 . 1 . . . . A 26 ALA HB1 . 34348 1 248 . 1 . 1 26 26 ALA HB2 H 1 1.393 0.000 . 1 . . . . A 26 ALA HB2 . 34348 1 249 . 1 . 1 26 26 ALA HB3 H 1 1.393 0.000 . 1 . . . . A 26 ALA HB3 . 34348 1 250 . 1 . 1 26 26 ALA CA C 13 48.098 0.000 . 1 . . . . A 26 ALA CA . 34348 1 251 . 1 . 1 26 26 ALA CB C 13 19.946 0.000 . 1 . . . . A 26 ALA CB . 34348 1 252 . 1 . 1 26 26 ALA N N 15 121.283 0.000 . 1 . . . . A 26 ALA N . 34348 1 253 . 1 . 1 27 27 ALA H H 1 8.370 0.000 . 1 . . . . A 27 ALA H . 34348 1 254 . 1 . 1 27 27 ALA HA H 1 4.795 0.000 . 1 . . . . A 27 ALA HA . 34348 1 255 . 1 . 1 27 27 ALA HB1 H 1 1.403 0.000 . 1 . . . . A 27 ALA HB1 . 34348 1 256 . 1 . 1 27 27 ALA HB2 H 1 1.403 0.000 . 1 . . . . A 27 ALA HB2 . 34348 1 257 . 1 . 1 27 27 ALA HB3 H 1 1.403 0.000 . 1 . . . . A 27 ALA HB3 . 34348 1 258 . 1 . 1 27 27 ALA CA C 13 50.259 0.000 . 1 . . . . A 27 ALA CA . 34348 1 259 . 1 . 1 27 27 ALA CB C 13 16.063 0.000 . 1 . . . . A 27 ALA CB . 34348 1 260 . 1 . 1 27 27 ALA N N 15 124.801 0.000 . 1 . . . . A 27 ALA N . 34348 1 261 . 1 . 1 28 28 PHE H H 1 9.238 0.000 . 1 . . . . A 28 PHE H . 34348 1 262 . 1 . 1 28 28 PHE HA H 1 4.637 0.000 . 1 . . . . A 28 PHE HA . 34348 1 263 . 1 . 1 28 28 PHE HB2 H 1 2.898 0.000 . 1 . . . . A 28 PHE HB2 . 34348 1 264 . 1 . 1 28 28 PHE HB3 H 1 2.699 0.000 . 1 . . . . A 28 PHE HB3 . 34348 1 265 . 1 . 1 28 28 PHE HD1 H 1 7.046 0.000 . 1 . . . . A 28 PHE HD1 . 34348 1 266 . 1 . 1 28 28 PHE HD2 H 1 7.046 0.000 . 1 . . . . A 28 PHE HD2 . 34348 1 267 . 1 . 1 28 28 PHE HE1 H 1 6.868 0.000 . 1 . . . . A 28 PHE HE1 . 34348 1 268 . 1 . 1 28 28 PHE HE2 H 1 6.868 0.000 . 1 . . . . A 28 PHE HE2 . 34348 1 269 . 1 . 1 28 28 PHE HZ H 1 6.914 0.000 . 1 . . . . A 28 PHE HZ . 34348 1 270 . 1 . 1 28 28 PHE CA C 13 54.279 0.000 . 1 . . . . A 28 PHE CA . 34348 1 271 . 1 . 1 28 28 PHE CB C 13 37.891 0.000 . 1 . . . . A 28 PHE CB . 34348 1 272 . 1 . 1 28 28 PHE N N 15 128.388 0.000 . 1 . . . . A 28 PHE N . 34348 1 273 . 1 . 1 29 29 GLY H H 1 8.213 0.000 . 1 . . . . A 29 GLY H . 34348 1 274 . 1 . 1 29 29 GLY HA2 H 1 3.712 0.000 . 1 . . . . A 29 GLY HA2 . 34348 1 275 . 1 . 1 29 29 GLY HA3 H 1 4.173 0.000 . 1 . . . . A 29 GLY HA3 . 34348 1 276 . 1 . 1 29 29 GLY CA C 13 41.750 0.000 . 1 . . . . A 29 GLY CA . 34348 1 277 . 1 . 1 29 29 GLY N N 15 109.682 0.000 . 1 . . . . A 29 GLY N . 34348 1 278 . 1 . 1 30 30 THR H H 1 7.991 0.000 . 1 . . . . A 30 THR H . 34348 1 279 . 1 . 1 30 30 THR HA H 1 5.003 0.000 . 1 . . . . A 30 THR HA . 34348 1 280 . 1 . 1 30 30 THR HB H 1 4.503 0.000 . 1 . . . . A 30 THR HB . 34348 1 281 . 1 . 1 30 30 THR HG21 H 1 1.061 0.000 . 1 . . . . A 30 THR HG21 . 34348 1 282 . 1 . 1 30 30 THR HG22 H 1 1.061 0.000 . 1 . . . . A 30 THR HG22 . 34348 1 283 . 1 . 1 30 30 THR HG23 H 1 1.061 0.000 . 1 . . . . A 30 THR HG23 . 34348 1 284 . 1 . 1 30 30 THR CA C 13 58.131 0.000 . 1 . . . . A 30 THR CA . 34348 1 285 . 1 . 1 30 30 THR CB C 13 70.297 0.000 . 1 . . . . A 30 THR CB . 34348 1 286 . 1 . 1 31 31 CYS H H 1 7.794 0.000 . 1 . . . . A 31 CYS H . 34348 1 287 . 1 . 1 31 31 CYS HA H 1 4.307 0.000 . 1 . . . . A 31 CYS HA . 34348 1 288 . 1 . 1 31 31 CYS HB2 H 1 3.217 0.000 . 1 . . . . A 31 CYS HB2 . 34348 1 289 . 1 . 1 31 31 CYS HB3 H 1 3.025 0.000 . 1 . . . . A 31 CYS HB3 . 34348 1 290 . 1 . 1 31 31 CYS CB C 13 45.239 0.000 . 1 . . . . A 31 CYS CB . 34348 1 291 . 1 . 1 31 31 CYS N N 15 111.216 0.000 . 1 . . . . A 31 CYS N . 34348 1 292 . 1 . 1 32 32 SER H H 1 8.223 0.000 . 1 . . . . A 32 SER H . 34348 1 293 . 1 . 1 32 32 SER HA H 1 4.163 0.000 . 1 . . . . A 32 SER HA . 34348 1 294 . 1 . 1 32 32 SER HB2 H 1 3.610 0.000 . 1 . . . . A 32 SER HB2 . 34348 1 295 . 1 . 1 32 32 SER HB3 H 1 3.427 0.000 . 1 . . . . A 32 SER HB3 . 34348 1 296 . 1 . 1 32 32 SER CA C 13 58.467 0.000 . 1 . . . . A 32 SER CA . 34348 1 297 . 1 . 1 32 32 SER CB C 13 58.492 0.000 . 1 . . . . A 32 SER CB . 34348 1 298 . 1 . 1 32 32 SER N N 15 112.295 0.000 . 1 . . . . A 32 SER N . 34348 1 299 . 1 . 1 33 33 TRP H H 1 10.387 0.000 . 1 . . . . A 33 TRP H . 34348 1 300 . 1 . 1 33 33 TRP HA H 1 4.206 0.000 . 1 . . . . A 33 TRP HA . 34348 1 301 . 1 . 1 33 33 TRP HB2 H 1 3.581 0.000 . 1 . . . . A 33 TRP HB2 . 34348 1 302 . 1 . 1 33 33 TRP HB3 H 1 3.253 0.000 . 1 . . . . A 33 TRP HB3 . 34348 1 303 . 1 . 1 33 33 TRP HD1 H 1 7.255 0.000 . 1 . . . . A 33 TRP HD1 . 34348 1 304 . 1 . 1 33 33 TRP HE1 H 1 10.286 0.000 . 1 . . . . A 33 TRP HE1 . 34348 1 305 . 1 . 1 33 33 TRP HE3 H 1 7.597 0.000 . 1 . . . . A 33 TRP HE3 . 34348 1 306 . 1 . 1 33 33 TRP HZ2 H 1 7.597 0.000 . 1 . . . . A 33 TRP HZ2 . 34348 1 307 . 1 . 1 33 33 TRP HZ3 H 1 7.167 0.000 . 1 . . . . A 33 TRP HZ3 . 34348 1 308 . 1 . 1 33 33 TRP HH2 H 1 7.297 0.000 . 1 . . . . A 33 TRP HH2 . 34348 1 309 . 1 . 1 33 33 TRP CA C 13 54.672 0.000 . 1 . . . . A 33 TRP CA . 34348 1 310 . 1 . 1 33 33 TRP CB C 13 23.122 0.000 . 1 . . . . A 33 TRP CB . 34348 1 311 . 1 . 1 34 34 ARG H H 1 9.312 0.000 . 1 . . . . A 34 ARG H . 34348 1 312 . 1 . 1 34 34 ARG HA H 1 3.586 0.000 . 1 . . . . A 34 ARG HA . 34348 1 313 . 1 . 1 34 34 ARG HB2 H 1 2.351 0.000 . 1 . . . . A 34 ARG HB2 . 34348 1 314 . 1 . 1 34 34 ARG HB3 H 1 2.086 0.000 . 1 . . . . A 34 ARG HB3 . 34348 1 315 . 1 . 1 34 34 ARG HG2 H 1 1.612 0.000 . 1 . . . . A 34 ARG HG2 . 34348 1 316 . 1 . 1 34 34 ARG HG3 H 1 1.477 0.000 . 1 . . . . A 34 ARG HG3 . 34348 1 317 . 1 . 1 34 34 ARG HD2 H 1 3.222 0.000 . 1 . . . . A 34 ARG HD2 . 34348 1 318 . 1 . 1 34 34 ARG HD3 H 1 3.222 0.000 . 1 . . . . A 34 ARG HD3 . 34348 1 319 . 1 . 1 34 34 ARG HE H 1 7.215 0.000 . 1 . . . . A 34 ARG HE . 34348 1 320 . 1 . 1 34 34 ARG CA C 13 55.419 0.000 . 1 . . . . A 34 ARG CA . 34348 1 321 . 1 . 1 34 34 ARG CB C 13 24.697 0.000 . 1 . . . . A 34 ARG CB . 34348 1 322 . 1 . 1 34 34 ARG N N 15 110.941 0.000 . 1 . . . . A 34 ARG N . 34348 1 323 . 1 . 1 35 35 GLN H H 1 7.835 0.000 . 1 . . . . A 35 GLN H . 34348 1 324 . 1 . 1 35 35 GLN HA H 1 4.305 0.000 . 1 . . . . A 35 GLN HA . 34348 1 325 . 1 . 1 35 35 GLN HB2 H 1 2.112 0.000 . 1 . . . . A 35 GLN HB2 . 34348 1 326 . 1 . 1 35 35 GLN HB3 H 1 2.331 0.000 . 1 . . . . A 35 GLN HB3 . 34348 1 327 . 1 . 1 35 35 GLN HG2 H 1 2.521 0.000 . 1 . . . . A 35 GLN HG2 . 34348 1 328 . 1 . 1 35 35 GLN HG3 H 1 2.725 0.000 . 1 . . . . A 35 GLN HG3 . 34348 1 329 . 1 . 1 35 35 GLN HE21 H 1 6.942 0.000 . 1 . . . . A 35 GLN HE21 . 34348 1 330 . 1 . 1 35 35 GLN HE22 H 1 7.621 0.000 . 1 . . . . A 35 GLN HE22 . 34348 1 331 . 1 . 1 35 35 GLN CB C 13 27.416 0.000 . 1 . . . . A 35 GLN CB . 34348 1 332 . 1 . 1 35 35 GLN N N 15 117.765 0.000 . 1 . . . . A 35 GLN N . 34348 1 333 . 1 . 1 36 36 LYS H H 1 8.244 0.000 . 1 . . . . A 36 LYS H . 34348 1 334 . 1 . 1 36 36 LYS HA H 1 4.780 0.000 . 1 . . . . A 36 LYS HA . 34348 1 335 . 1 . 1 36 36 LYS HB2 H 1 1.171 0.000 . 1 . . . . A 36 LYS HB2 . 34348 1 336 . 1 . 1 36 36 LYS HB3 H 1 1.822 0.000 . 1 . . . . A 36 LYS HB3 . 34348 1 337 . 1 . 1 36 36 LYS HG2 H 1 1.306 0.000 . 1 . . . . A 36 LYS HG2 . 34348 1 338 . 1 . 1 36 36 LYS HG3 H 1 1.306 0.000 . 1 . . . . A 36 LYS HG3 . 34348 1 339 . 1 . 1 36 36 LYS HD2 H 1 1.470 0.000 . 1 . . . . A 36 LYS HD2 . 34348 1 340 . 1 . 1 36 36 LYS HD3 H 1 1.470 0.000 . 1 . . . . A 36 LYS HD3 . 34348 1 341 . 1 . 1 36 36 LYS HE2 H 1 2.799 0.000 . 1 . . . . A 36 LYS HE2 . 34348 1 342 . 1 . 1 36 36 LYS HE3 H 1 2.861 0.000 . 1 . . . . A 36 LYS HE3 . 34348 1 343 . 1 . 1 36 36 LYS CA C 13 51.659 0.000 . 1 . . . . A 36 LYS CA . 34348 1 344 . 1 . 1 36 36 LYS CB C 13 35.094 0.000 . 1 . . . . A 36 LYS CB . 34348 1 345 . 1 . 1 36 36 LYS N N 15 117.144 0.000 . 1 . . . . A 36 LYS N . 34348 1 346 . 1 . 1 37 37 THR H H 1 9.014 0.000 . 1 . . . . A 37 THR H . 34348 1 347 . 1 . 1 37 37 THR HA H 1 4.217 0.000 . 1 . . . . A 37 THR HA . 34348 1 348 . 1 . 1 37 37 THR HB H 1 3.952 0.000 . 1 . . . . A 37 THR HB . 34348 1 349 . 1 . 1 37 37 THR HG21 H 1 1.096 0.000 . 1 . . . . A 37 THR HG21 . 34348 1 350 . 1 . 1 37 37 THR HG22 H 1 1.096 0.000 . 1 . . . . A 37 THR HG22 . 34348 1 351 . 1 . 1 37 37 THR HG23 H 1 1.096 0.000 . 1 . . . . A 37 THR HG23 . 34348 1 352 . 1 . 1 37 37 THR CA C 13 60.609 0.000 . 1 . . . . A 37 THR CA . 34348 1 353 . 1 . 1 37 37 THR CB C 13 67.899 0.000 . 1 . . . . A 37 THR CB . 34348 1 354 . 1 . 1 37 37 THR N N 15 121.399 0.000 . 1 . . . . A 37 THR N . 34348 1 355 . 1 . 1 38 38 CYS H H 1 7.794 0.000 . 1 . . . . A 38 CYS H . 34348 1 356 . 1 . 1 38 38 CYS HA H 1 4.882 0.000 . 1 . . . . A 38 CYS HA . 34348 1 357 . 1 . 1 38 38 CYS HB2 H 1 2.444 0.000 . 1 . . . . A 38 CYS HB2 . 34348 1 358 . 1 . 1 38 38 CYS HB3 H 1 2.972 0.000 . 1 . . . . A 38 CYS HB3 . 34348 1 359 . 1 . 1 38 38 CYS CA C 13 52.383 0.000 . 1 . . . . A 38 CYS CA . 34348 1 360 . 1 . 1 38 38 CYS CB C 13 37.558 0.000 . 1 . . . . A 38 CYS CB . 34348 1 361 . 1 . 1 38 38 CYS N N 15 124.640 0.000 . 1 . . . . A 38 CYS N . 34348 1 362 . 1 . 1 39 39 CYS H H 1 9.335 0.000 . 1 . . . . A 39 CYS H . 34348 1 363 . 1 . 1 39 39 CYS HA H 1 5.313 0.000 . 1 . . . . A 39 CYS HA . 34348 1 364 . 1 . 1 39 39 CYS HB2 H 1 2.489 0.000 . 1 . . . . A 39 CYS HB2 . 34348 1 365 . 1 . 1 39 39 CYS HB3 H 1 1.873 0.000 . 1 . . . . A 39 CYS HB3 . 34348 1 366 . 1 . 1 39 39 CYS CA C 13 50.285 0.000 . 1 . . . . A 39 CYS CA . 34348 1 367 . 1 . 1 39 39 CYS CB C 13 38.674 0.000 . 1 . . . . A 39 CYS CB . 34348 1 368 . 1 . 1 39 39 CYS N N 15 128.409 0.000 . 1 . . . . A 39 CYS N . 34348 1 369 . 1 . 1 40 40 VAL H H 1 9.216 0.000 . 1 . . . . A 40 VAL H . 34348 1 370 . 1 . 1 40 40 VAL HA H 1 4.585 0.000 . 1 . . . . A 40 VAL HA . 34348 1 371 . 1 . 1 40 40 VAL HB H 1 1.967 0.000 . 1 . . . . A 40 VAL HB . 34348 1 372 . 1 . 1 40 40 VAL HG11 H 1 0.834 0.000 . 1 . . . . A 40 VAL HG11 . 34348 1 373 . 1 . 1 40 40 VAL HG12 H 1 0.834 0.000 . 1 . . . . A 40 VAL HG12 . 34348 1 374 . 1 . 1 40 40 VAL HG13 H 1 0.834 0.000 . 1 . . . . A 40 VAL HG13 . 34348 1 375 . 1 . 1 40 40 VAL HG21 H 1 0.882 0.000 . 1 . . . . A 40 VAL HG21 . 34348 1 376 . 1 . 1 40 40 VAL HG22 H 1 0.882 0.000 . 1 . . . . A 40 VAL HG22 . 34348 1 377 . 1 . 1 40 40 VAL HG23 H 1 0.882 0.000 . 1 . . . . A 40 VAL HG23 . 34348 1 378 . 1 . 1 40 40 VAL CA C 13 57.527 0.000 . 1 . . . . A 40 VAL CA . 34348 1 379 . 1 . 1 40 40 VAL CB C 13 32.858 0.000 . 1 . . . . A 40 VAL CB . 34348 1 380 . 1 . 1 40 40 VAL N N 15 118.684 0.000 . 1 . . . . A 40 VAL N . 34348 1 stop_ save_