data_25775 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25775 _Entry.Title ; Structure of spider-venom peptide Hm1a ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-08-27 _Entry.Accession_date 2015-08-27 _Entry.Last_release_date 2016-08-25 _Entry.Original_release_date 2016-08-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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 Eivind Undheim . AB . . 25775 2 Glenn King . F. . . 25775 3 Mehdi Mobli . . . . 25775 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25775 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Hm1a . 25775 'cystine knot' . 25775 'gating modifier' . 25775 'spider venom' . 25775 toxin . 25775 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25775 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 107 25775 '15N chemical shifts' 38 25775 '1H chemical shifts' 211 25775 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-08-25 . original BMRB . 25775 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID Arachno AS000224 'ArachnoServer (www.arachnoserver.org)' 25775 PDB 2N60 'BMRB Entry Tracking System' 25775 SP P60992 . 25775 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25775 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Structure of spider-venom peptide Hm1a ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Eivind Undheim . AB . . 25775 1 2 Glenn King . F. . . 25775 1 3 Mehdi Mobli . . . . 25775 1 4 Steven Petrou . . . . 25775 1 stop_ save_ save_reference_citation _Citation.Sf_category citations _Citation.Sf_framecode reference_citation _Citation.Entry_ID 25775 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12065754 _Citation.Full_citation . _Citation.Title ; Novel tarantula toxins for subtypes of voltage-dependent potassium channels in the Kv2 and Kv4 subfamilies. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Pharmacol.' _Citation.Journal_name_full . _Citation.Journal_volume 62 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 48 _Citation.Page_last 57 _Citation.Year 2002 _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 Pierre Escoubas . . . . 25775 2 2 Sylvie Diochot . . . . 25775 2 3 Marie-Louise Celerier . . . . 25775 2 4 Terumi Nakajima . . . . 25775 2 5 Michel Lazdunski . . . . 25775 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25775 _Assembly.ID 1 _Assembly.Name 'spider-venom peptide Hm1a' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'spider-venom peptide Hm1a' 1 $Hm1a A . yes native no no . . . 25775 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 2 2 SG . 1 . 1 CYS 16 16 SG . . . . . . . . . . 25775 1 2 disulfide single . 1 . 1 CYS 9 9 SG . 1 . 1 CYS 21 21 SG . . . . . . . . . . 25775 1 3 disulfide single . 1 . 1 CYS 15 15 SG . 1 . 1 CYS 28 28 SG . . . . . . . . . . 25775 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Hm1a _Entity.Sf_category entity _Entity.Sf_framecode Hm1a _Entity.Entry_ID 25775 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Hm1a _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 ; ECRYLFGGCSSTSDCCKHLS CRSDWKYCAWDGTFS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 35 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4008.488 _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 1 GLU . 25775 1 2 2 CYS . 25775 1 3 3 ARG . 25775 1 4 4 TYR . 25775 1 5 5 LEU . 25775 1 6 6 PHE . 25775 1 7 7 GLY . 25775 1 8 8 GLY . 25775 1 9 9 CYS . 25775 1 10 10 SER . 25775 1 11 11 SER . 25775 1 12 12 THR . 25775 1 13 13 SER . 25775 1 14 14 ASP . 25775 1 15 15 CYS . 25775 1 16 16 CYS . 25775 1 17 17 LYS . 25775 1 18 18 HIS . 25775 1 19 19 LEU . 25775 1 20 20 SER . 25775 1 21 21 CYS . 25775 1 22 22 ARG . 25775 1 23 23 SER . 25775 1 24 24 ASP . 25775 1 25 25 TRP . 25775 1 26 26 LYS . 25775 1 27 27 TYR . 25775 1 28 28 CYS . 25775 1 29 29 ALA . 25775 1 30 30 TRP . 25775 1 31 31 ASP . 25775 1 32 32 GLY . 25775 1 33 33 THR . 25775 1 34 34 PHE . 25775 1 35 35 SER . 25775 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 . GLU 1 1 25775 1 . CYS 2 2 25775 1 . ARG 3 3 25775 1 . TYR 4 4 25775 1 . LEU 5 5 25775 1 . PHE 6 6 25775 1 . GLY 7 7 25775 1 . GLY 8 8 25775 1 . CYS 9 9 25775 1 . SER 10 10 25775 1 . SER 11 11 25775 1 . THR 12 12 25775 1 . SER 13 13 25775 1 . ASP 14 14 25775 1 . CYS 15 15 25775 1 . CYS 16 16 25775 1 . LYS 17 17 25775 1 . HIS 18 18 25775 1 . LEU 19 19 25775 1 . SER 20 20 25775 1 . CYS 21 21 25775 1 . ARG 22 22 25775 1 . SER 23 23 25775 1 . ASP 24 24 25775 1 . TRP 25 25 25775 1 . LYS 26 26 25775 1 . TYR 27 27 25775 1 . CYS 28 28 25775 1 . ALA 29 29 25775 1 . TRP 30 30 25775 1 . ASP 31 31 25775 1 . GLY 32 32 25775 1 . THR 33 33 25775 1 . PHE 34 34 25775 1 . SER 35 35 25775 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 25775 _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 $Hm1a . 268413 organism . 'Heteroscodra maculata' spiders . . Eukaryota Metazoa Heteroscodra maculata . . . . . . . . . . . . . 25775 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 25775 _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 $Hm1a . 'chemical synthesis' 'not applicable' . . . . . . . . . . . . . . . 25775 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25775 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 Hm1a 'natural abundance' . . 1 $Hm1a . . 1.0 . . mM . . . . 25775 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25775 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25775 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 25775 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 25775 1 pH 4 . pH 25775 1 pressure 1 . atm 25775 1 temperature 298 . K 25775 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25775 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25775 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25775 1 processing 25775 1 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 25775 _Software.ID 2 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25775 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25775 2 'data analysis' 25775 2 'peak picking' 25775 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25775 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25775 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25775 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25775 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25775 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'dihedral angle estimation' 25775 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25775 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 25775 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 . . . 25775 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 25775 _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 $spectrometer_1 . . . . . . . . . . . . . . . . 25775 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25775 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25775 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25775 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25775 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.77 internal indirect 0.251449530 . . . . . 25775 1 H 1 water protons . . . . ppm 4.77 internal direct 1.000000000 . . . . . 25775 1 N 15 water protons . . . . ppm 4.77 internal indirect 0.101329118 . . . . . 25775 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25775 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . 25775 1 2 '2D 1H-1H NOESY' . . . 25775 1 3 '2D 1H-15N HSQC' . . . 25775 1 4 '2D 1H-13C HSQC' . . . 25775 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLU HA H 1 4.144 0.02 . 1 . . . A 1 GLU HA . 25775 1 2 . 1 1 1 1 GLU HB2 H 1 2.184 0.02 . 1 . . . A 1 GLU HB2 . 25775 1 3 . 1 1 1 1 GLU HB3 H 1 2.184 0.02 . 1 . . . A 1 GLU HB3 . 25775 1 4 . 1 1 1 1 GLU HG2 H 1 2.616 0.02 . 1 . . . A 1 GLU HG2 . 25775 1 5 . 1 1 1 1 GLU HG3 H 1 2.616 0.02 . 1 . . . A 1 GLU HG3 . 25775 1 6 . 1 1 1 1 GLU CA C 13 55.071 0.3 . 1 . . . A 1 GLU CA . 25775 1 7 . 1 1 1 1 GLU CB C 13 29.047 0.3 . 1 . . . A 1 GLU CB . 25775 1 8 . 1 1 1 1 GLU CG C 13 32.510 0.3 . 1 . . . A 1 GLU CG . 25775 1 9 . 1 1 2 2 CYS H H 1 8.654 0.02 . 1 . . . A 2 CYS H . 25775 1 10 . 1 1 2 2 CYS HA H 1 4.658 0.02 . 1 . . . A 2 CYS HA . 25775 1 11 . 1 1 2 2 CYS HB2 H 1 2.814 0.02 . 2 . . . A 2 CYS HB2 . 25775 1 12 . 1 1 2 2 CYS HB3 H 1 3.097 0.02 . 2 . . . A 2 CYS HB3 . 25775 1 13 . 1 1 2 2 CYS CA C 13 54.925 0.3 . 1 . . . A 2 CYS CA . 25775 1 14 . 1 1 2 2 CYS CB C 13 41.735 0.3 . 1 . . . A 2 CYS CB . 25775 1 15 . 1 1 2 2 CYS N N 15 120.899 0.2 . 1 . . . A 2 CYS N . 25775 1 16 . 1 1 3 3 ARG H H 1 8.889 0.02 . 1 . . . A 3 ARG H . 25775 1 17 . 1 1 3 3 ARG HA H 1 4.429 0.02 . 1 . . . A 3 ARG HA . 25775 1 18 . 1 1 3 3 ARG HB2 H 1 1.671 0.02 . 2 . . . A 3 ARG HB2 . 25775 1 19 . 1 1 3 3 ARG HB3 H 1 2.011 0.02 . 2 . . . A 3 ARG HB3 . 25775 1 20 . 1 1 3 3 ARG HG2 H 1 1.970 0.02 . 2 . . . A 3 ARG HG2 . 25775 1 21 . 1 1 3 3 ARG HG3 H 1 1.769 0.02 . 2 . . . A 3 ARG HG3 . 25775 1 22 . 1 1 3 3 ARG HD2 H 1 3.250 0.02 . 2 . . . A 3 ARG HD2 . 25775 1 23 . 1 1 3 3 ARG HD3 H 1 3.220 0.02 . 2 . . . A 3 ARG HD3 . 25775 1 24 . 1 1 3 3 ARG HE H 1 7.228 0.02 . 1 . . . A 3 ARG HE . 25775 1 25 . 1 1 3 3 ARG CA C 13 55.196 0.3 . 1 . . . A 3 ARG CA . 25775 1 26 . 1 1 3 3 ARG CB C 13 31.600 0.3 . 1 . . . A 3 ARG CB . 25775 1 27 . 1 1 3 3 ARG CG C 13 27.228 0.3 . 1 . . . A 3 ARG CG . 25775 1 28 . 1 1 3 3 ARG CD C 13 43.194 0.3 . 1 . . . A 3 ARG CD . 25775 1 29 . 1 1 3 3 ARG N N 15 120.390 0.2 . 1 . . . A 3 ARG N . 25775 1 30 . 1 1 3 3 ARG NE N 15 85.900 0.2 . 1 . . . A 3 ARG NE . 25775 1 31 . 1 1 4 4 TYR H H 1 8.224 0.02 . 1 . . . A 4 TYR H . 25775 1 32 . 1 1 4 4 TYR HA H 1 4.250 0.02 . 1 . . . A 4 TYR HA . 25775 1 33 . 1 1 4 4 TYR HB2 H 1 3.155 0.02 . 2 . . . A 4 TYR HB2 . 25775 1 34 . 1 1 4 4 TYR HB3 H 1 2.913 0.02 . 2 . . . A 4 TYR HB3 . 25775 1 35 . 1 1 4 4 TYR HD1 H 1 7.149 0.02 . 1 . . . A 4 TYR HD1 . 25775 1 36 . 1 1 4 4 TYR HD2 H 1 7.149 0.02 . 1 . . . A 4 TYR HD2 . 25775 1 37 . 1 1 4 4 TYR HE1 H 1 6.924 0.02 . 1 . . . A 4 TYR HE1 . 25775 1 38 . 1 1 4 4 TYR HE2 H 1 6.924 0.02 . 1 . . . A 4 TYR HE2 . 25775 1 39 . 1 1 4 4 TYR CA C 13 55.999 0.3 . 1 . . . A 4 TYR CA . 25775 1 40 . 1 1 4 4 TYR CB C 13 39.026 0.3 . 1 . . . A 4 TYR CB . 25775 1 41 . 1 1 4 4 TYR CD1 C 13 133.028 0.3 . 1 . . . A 4 TYR CD1 . 25775 1 42 . 1 1 4 4 TYR CE2 C 13 118.944 0.3 . 1 . . . A 4 TYR CE2 . 25775 1 43 . 1 1 4 4 TYR N N 15 122.181 0.2 . 1 . . . A 4 TYR N . 25775 1 44 . 1 1 5 5 LEU H H 1 6.651 0.02 . 1 . . . A 5 LEU H . 25775 1 45 . 1 1 5 5 LEU HA H 1 3.367 0.02 . 1 . . . A 5 LEU HA . 25775 1 46 . 1 1 5 5 LEU HB2 H 1 1.156 0.02 . 2 . . . A 5 LEU HB2 . 25775 1 47 . 1 1 5 5 LEU HB3 H 1 0.699 0.02 . 2 . . . A 5 LEU HB3 . 25775 1 48 . 1 1 5 5 LEU HG H 1 0.549 0.02 . 1 . . . A 5 LEU HG . 25775 1 49 . 1 1 5 5 LEU HD11 H 1 0.182 0.02 . 1 . . . A 5 LEU HD11 . 25775 1 50 . 1 1 5 5 LEU HD12 H 1 0.182 0.02 . 1 . . . A 5 LEU HD12 . 25775 1 51 . 1 1 5 5 LEU HD13 H 1 0.182 0.02 . 1 . . . A 5 LEU HD13 . 25775 1 52 . 1 1 5 5 LEU HD21 H 1 0.307 0.02 . 1 . . . A 5 LEU HD21 . 25775 1 53 . 1 1 5 5 LEU HD22 H 1 0.307 0.02 . 1 . . . A 5 LEU HD22 . 25775 1 54 . 1 1 5 5 LEU HD23 H 1 0.307 0.02 . 1 . . . A 5 LEU HD23 . 25775 1 55 . 1 1 5 5 LEU CA C 13 56.665 0.3 . 1 . . . A 5 LEU CA . 25775 1 56 . 1 1 5 5 LEU CB C 13 42.253 0.3 . 1 . . . A 5 LEU CB . 25775 1 57 . 1 1 5 5 LEU CG C 13 26.879 0.3 . 1 . . . A 5 LEU CG . 25775 1 58 . 1 1 5 5 LEU CD1 C 13 25.557 0.3 . 1 . . . A 5 LEU CD1 . 25775 1 59 . 1 1 5 5 LEU CD2 C 13 23.198 0.3 . 1 . . . A 5 LEU CD2 . 25775 1 60 . 1 1 5 5 LEU N N 15 121.370 0.2 . 1 . . . A 5 LEU N . 25775 1 61 . 1 1 6 6 PHE H H 1 8.869 0.02 . 1 . . . A 6 PHE H . 25775 1 62 . 1 1 6 6 PHE HA H 1 3.768 0.02 . 1 . . . A 6 PHE HA . 25775 1 63 . 1 1 6 6 PHE HB2 H 1 3.386 0.02 . 2 . . . A 6 PHE HB2 . 25775 1 64 . 1 1 6 6 PHE HB3 H 1 3.100 0.02 . 2 . . . A 6 PHE HB3 . 25775 1 65 . 1 1 6 6 PHE HD1 H 1 6.647 0.02 . 1 . . . A 6 PHE HD1 . 25775 1 66 . 1 1 6 6 PHE HD2 H 1 6.647 0.02 . 1 . . . A 6 PHE HD2 . 25775 1 67 . 1 1 6 6 PHE HE1 H 1 7.223 0.02 . 1 . . . A 6 PHE HE1 . 25775 1 68 . 1 1 6 6 PHE HE2 H 1 7.223 0.02 . 1 . . . A 6 PHE HE2 . 25775 1 69 . 1 1 6 6 PHE HZ H 1 7.150 0.02 . 1 . . . A 6 PHE HZ . 25775 1 70 . 1 1 6 6 PHE CA C 13 60.279 0.3 . 1 . . . A 6 PHE CA . 25775 1 71 . 1 1 6 6 PHE CB C 13 36.071 0.3 . 1 . . . A 6 PHE CB . 25775 1 72 . 1 1 6 6 PHE CD2 C 13 131.139 0.3 . 1 . . . A 6 PHE CD2 . 25775 1 73 . 1 1 6 6 PHE CE1 C 13 131.288 0.3 . 1 . . . A 6 PHE CE1 . 25775 1 74 . 1 1 6 6 PHE CZ C 13 129.814 0.3 . 1 . . . A 6 PHE CZ . 25775 1 75 . 1 1 6 6 PHE N N 15 117.688 0.2 . 1 . . . A 6 PHE N . 25775 1 76 . 1 1 7 7 GLY H H 1 9.113 0.02 . 1 . . . A 7 GLY H . 25775 1 77 . 1 1 7 7 GLY HA2 H 1 4.181 0.02 . 2 . . . A 7 GLY HA2 . 25775 1 78 . 1 1 7 7 GLY HA3 H 1 3.473 0.02 . 2 . . . A 7 GLY HA3 . 25775 1 79 . 1 1 7 7 GLY CA C 13 45.380 0.3 . 1 . . . A 7 GLY CA . 25775 1 80 . 1 1 7 7 GLY N N 15 110.878 0.2 . 1 . . . A 7 GLY N . 25775 1 81 . 1 1 8 8 GLY H H 1 8.729 0.02 . 1 . . . A 8 GLY H . 25775 1 82 . 1 1 8 8 GLY HA2 H 1 3.779 0.02 . 2 . . . A 8 GLY HA2 . 25775 1 83 . 1 1 8 8 GLY HA3 H 1 4.470 0.02 . 2 . . . A 8 GLY HA3 . 25775 1 84 . 1 1 8 8 GLY CA C 13 46.075 0.3 . 1 . . . A 8 GLY CA . 25775 1 85 . 1 1 8 8 GLY N N 15 111.369 0.2 . 1 . . . A 8 GLY N . 25775 1 86 . 1 1 9 9 CYS H H 1 7.894 0.02 . 1 . . . A 9 CYS H . 25775 1 87 . 1 1 9 9 CYS HA H 1 4.948 0.02 . 1 . . . A 9 CYS HA . 25775 1 88 . 1 1 9 9 CYS HB2 H 1 3.202 0.02 . 1 . . . A 9 CYS HB2 . 25775 1 89 . 1 1 9 9 CYS HB3 H 1 3.202 0.02 . 1 . . . A 9 CYS HB3 . 25775 1 90 . 1 1 9 9 CYS CA C 13 53.667 0.3 . 1 . . . A 9 CYS CA . 25775 1 91 . 1 1 9 9 CYS CB C 13 47.288 0.3 . 1 . . . A 9 CYS CB . 25775 1 92 . 1 1 9 9 CYS N N 15 115.842 0.2 . 1 . . . A 9 CYS N . 25775 1 93 . 1 1 10 10 SER H H 1 8.986 0.02 . 1 . . . A 10 SER H . 25775 1 94 . 1 1 10 10 SER HA H 1 4.591 0.02 . 1 . . . A 10 SER HA . 25775 1 95 . 1 1 10 10 SER HB2 H 1 3.899 0.02 . 2 . . . A 10 SER HB2 . 25775 1 96 . 1 1 10 10 SER HB3 H 1 3.861 0.02 . 2 . . . A 10 SER HB3 . 25775 1 97 . 1 1 10 10 SER CA C 13 58.794 0.3 . 1 . . . A 10 SER CA . 25775 1 98 . 1 1 10 10 SER CB C 13 64.468 0.3 . 1 . . . A 10 SER CB . 25775 1 99 . 1 1 10 10 SER N N 15 113.651 0.2 . 1 . . . A 10 SER N . 25775 1 100 . 1 1 11 11 SER H H 1 8.009 0.02 . 1 . . . A 11 SER H . 25775 1 101 . 1 1 11 11 SER HA H 1 4.668 0.02 . 1 . . . A 11 SER HA . 25775 1 102 . 1 1 11 11 SER HB2 H 1 3.798 0.02 . 2 . . . A 11 SER HB2 . 25775 1 103 . 1 1 11 11 SER HB3 H 1 4.024 0.02 . 2 . . . A 11 SER HB3 . 25775 1 104 . 1 1 11 11 SER CA C 13 56.868 0.3 . 1 . . . A 11 SER CA . 25775 1 105 . 1 1 11 11 SER CB C 13 65.742 0.3 . 1 . . . A 11 SER CB . 25775 1 106 . 1 1 11 11 SER N N 15 115.967 0.2 . 1 . . . A 11 SER N . 25775 1 107 . 1 1 12 12 THR H H 1 9.412 0.02 . 1 . . . A 12 THR H . 25775 1 108 . 1 1 12 12 THR HA H 1 3.808 0.02 . 1 . . . A 12 THR HA . 25775 1 109 . 1 1 12 12 THR HB H 1 4.258 0.02 . 1 . . . A 12 THR HB . 25775 1 110 . 1 1 12 12 THR HG21 H 1 1.379 0.02 . 1 . . . A 12 THR HG21 . 25775 1 111 . 1 1 12 12 THR HG22 H 1 1.379 0.02 . 1 . . . A 12 THR HG22 . 25775 1 112 . 1 1 12 12 THR HG23 H 1 1.379 0.02 . 1 . . . A 12 THR HG23 . 25775 1 113 . 1 1 12 12 THR CA C 13 67.368 0.3 . 1 . . . A 12 THR CA . 25775 1 114 . 1 1 12 12 THR CB C 13 69.100 0.3 . 1 . . . A 12 THR CB . 25775 1 115 . 1 1 12 12 THR CG2 C 13 23.651 0.3 . 1 . . . A 12 THR CG2 . 25775 1 116 . 1 1 12 12 THR N N 15 123.963 0.2 . 1 . . . A 12 THR N . 25775 1 117 . 1 1 13 13 SER H H 1 8.728 0.02 . 1 . . . A 13 SER H . 25775 1 118 . 1 1 13 13 SER HA H 1 4.012 0.02 . 1 . . . A 13 SER HA . 25775 1 119 . 1 1 13 13 SER HB2 H 1 3.852 0.02 . 1 . . . A 13 SER HB2 . 25775 1 120 . 1 1 13 13 SER HB3 H 1 3.852 0.02 . 1 . . . A 13 SER HB3 . 25775 1 121 . 1 1 13 13 SER CA C 13 60.968 0.3 . 1 . . . A 13 SER CA . 25775 1 122 . 1 1 13 13 SER CB C 13 62.880 0.3 . 1 . . . A 13 SER CB . 25775 1 123 . 1 1 13 13 SER N N 15 121.263 0.2 . 1 . . . A 13 SER N . 25775 1 124 . 1 1 14 14 ASP H H 1 8.619 0.02 . 1 . . . A 14 ASP H . 25775 1 125 . 1 1 14 14 ASP HA H 1 4.237 0.02 . 1 . . . A 14 ASP HA . 25775 1 126 . 1 1 14 14 ASP HB2 H 1 2.546 0.02 . 2 . . . A 14 ASP HB2 . 25775 1 127 . 1 1 14 14 ASP HB3 H 1 2.347 0.02 . 2 . . . A 14 ASP HB3 . 25775 1 128 . 1 1 14 14 ASP CA C 13 54.990 0.3 . 1 . . . A 14 ASP CA . 25775 1 129 . 1 1 14 14 ASP CB C 13 37.416 0.3 . 1 . . . A 14 ASP CB . 25775 1 130 . 1 1 14 14 ASP N N 15 118.050 0.2 . 1 . . . A 14 ASP N . 25775 1 131 . 1 1 15 15 CYS H H 1 8.058 0.02 . 1 . . . A 15 CYS H . 25775 1 132 . 1 1 15 15 CYS HA H 1 5.121 0.02 . 1 . . . A 15 CYS HA . 25775 1 133 . 1 1 15 15 CYS HB2 H 1 3.138 0.02 . 2 . . . A 15 CYS HB2 . 25775 1 134 . 1 1 15 15 CYS HB3 H 1 2.866 0.02 . 2 . . . A 15 CYS HB3 . 25775 1 135 . 1 1 15 15 CYS CA C 13 53.598 0.3 . 1 . . . A 15 CYS CA . 25775 1 136 . 1 1 15 15 CYS CB C 13 40.960 0.3 . 1 . . . A 15 CYS CB . 25775 1 137 . 1 1 15 15 CYS N N 15 117.779 0.2 . 1 . . . A 15 CYS N . 25775 1 138 . 1 1 16 16 CYS H H 1 9.093 0.02 . 1 . . . A 16 CYS H . 25775 1 139 . 1 1 16 16 CYS HA H 1 4.580 0.02 . 1 . . . A 16 CYS HA . 25775 1 140 . 1 1 16 16 CYS HB2 H 1 3.378 0.02 . 2 . . . A 16 CYS HB2 . 25775 1 141 . 1 1 16 16 CYS HB3 H 1 2.264 0.02 . 2 . . . A 16 CYS HB3 . 25775 1 142 . 1 1 16 16 CYS CA C 13 53.616 0.3 . 1 . . . A 16 CYS CA . 25775 1 143 . 1 1 16 16 CYS CB C 13 39.385 0.3 . 1 . . . A 16 CYS CB . 25775 1 144 . 1 1 16 16 CYS N N 15 120.718 0.2 . 1 . . . A 16 CYS N . 25775 1 145 . 1 1 17 17 LYS H H 1 7.907 0.02 . 1 . . . A 17 LYS H . 25775 1 146 . 1 1 17 17 LYS HA H 1 3.939 0.02 . 1 . . . A 17 LYS HA . 25775 1 147 . 1 1 17 17 LYS HB2 H 1 1.651 0.02 . 2 . . . A 17 LYS HB2 . 25775 1 148 . 1 1 17 17 LYS HB3 H 1 1.451 0.02 . 2 . . . A 17 LYS HB3 . 25775 1 149 . 1 1 17 17 LYS HG2 H 1 1.227 0.02 . 2 . . . A 17 LYS HG2 . 25775 1 150 . 1 1 17 17 LYS HG3 H 1 1.000 0.02 . 2 . . . A 17 LYS HG3 . 25775 1 151 . 1 1 17 17 LYS HD2 H 1 1.576 0.02 . 1 . . . A 17 LYS HD2 . 25775 1 152 . 1 1 17 17 LYS HD3 H 1 1.576 0.02 . 1 . . . A 17 LYS HD3 . 25775 1 153 . 1 1 17 17 LYS HE2 H 1 2.894 0.02 . 2 . . . A 17 LYS HE2 . 25775 1 154 . 1 1 17 17 LYS HE3 H 1 2.909 0.02 . 2 . . . A 17 LYS HE3 . 25775 1 155 . 1 1 17 17 LYS CA C 13 58.078 0.3 . 1 . . . A 17 LYS CA . 25775 1 156 . 1 1 17 17 LYS CB C 13 32.479 0.3 . 1 . . . A 17 LYS CB . 25775 1 157 . 1 1 17 17 LYS CG C 13 24.545 0.3 . 1 . . . A 17 LYS CG . 25775 1 158 . 1 1 17 17 LYS CD C 13 29.111 0.3 . 1 . . . A 17 LYS CD . 25775 1 159 . 1 1 17 17 LYS CE C 13 41.949 0.3 . 1 . . . A 17 LYS CE . 25775 1 160 . 1 1 17 17 LYS N N 15 117.710 0.2 . 1 . . . A 17 LYS N . 25775 1 161 . 1 1 18 18 HIS H H 1 8.578 0.02 . 1 . . . A 18 HIS H . 25775 1 162 . 1 1 18 18 HIS HA H 1 4.200 0.02 . 1 . . . A 18 HIS HA . 25775 1 163 . 1 1 18 18 HIS HB2 H 1 3.867 0.02 . 2 . . . A 18 HIS HB2 . 25775 1 164 . 1 1 18 18 HIS HB3 H 1 3.469 0.02 . 2 . . . A 18 HIS HB3 . 25775 1 165 . 1 1 18 18 HIS HD2 H 1 7.212 0.02 . 1 . . . A 18 HIS HD2 . 25775 1 166 . 1 1 18 18 HIS HE1 H 1 8.606 0.02 . 1 . . . A 18 HIS HE1 . 25775 1 167 . 1 1 18 18 HIS CA C 13 57.848 0.3 . 1 . . . A 18 HIS CA . 25775 1 168 . 1 1 18 18 HIS CB C 13 26.901 0.3 . 1 . . . A 18 HIS CB . 25775 1 169 . 1 1 18 18 HIS CD2 C 13 119.695 0.3 . 1 . . . A 18 HIS CD2 . 25775 1 170 . 1 1 18 18 HIS CE1 C 13 136.313 0.3 . 1 . . . A 18 HIS CE1 . 25775 1 171 . 1 1 18 18 HIS N N 15 112.192 0.2 . 1 . . . A 18 HIS N . 25775 1 172 . 1 1 19 19 LEU H H 1 7.894 0.02 . 1 . . . A 19 LEU H . 25775 1 173 . 1 1 19 19 LEU HA H 1 5.056 0.02 . 1 . . . A 19 LEU HA . 25775 1 174 . 1 1 19 19 LEU HB2 H 1 2.019 0.02 . 2 . . . A 19 LEU HB2 . 25775 1 175 . 1 1 19 19 LEU HB3 H 1 1.078 0.02 . 2 . . . A 19 LEU HB3 . 25775 1 176 . 1 1 19 19 LEU HG H 1 1.240 0.02 . 1 . . . A 19 LEU HG . 25775 1 177 . 1 1 19 19 LEU HD11 H 1 0.551 0.02 . 1 . . . A 19 LEU HD11 . 25775 1 178 . 1 1 19 19 LEU HD12 H 1 0.551 0.02 . 1 . . . A 19 LEU HD12 . 25775 1 179 . 1 1 19 19 LEU HD13 H 1 0.551 0.02 . 1 . . . A 19 LEU HD13 . 25775 1 180 . 1 1 19 19 LEU HD21 H 1 -0.061 0.02 . 1 . . . A 19 LEU HD21 . 25775 1 181 . 1 1 19 19 LEU HD22 H 1 -0.061 0.02 . 1 . . . A 19 LEU HD22 . 25775 1 182 . 1 1 19 19 LEU HD23 H 1 -0.061 0.02 . 1 . . . A 19 LEU HD23 . 25775 1 183 . 1 1 19 19 LEU CA C 13 54.039 0.3 . 1 . . . A 19 LEU CA . 25775 1 184 . 1 1 19 19 LEU CB C 13 44.366 0.3 . 1 . . . A 19 LEU CB . 25775 1 185 . 1 1 19 19 LEU CG C 13 27.072 0.3 . 1 . . . A 19 LEU CG . 25775 1 186 . 1 1 19 19 LEU CD1 C 13 25.898 0.3 . 1 . . . A 19 LEU CD1 . 25775 1 187 . 1 1 19 19 LEU CD2 C 13 24.837 0.3 . 1 . . . A 19 LEU CD2 . 25775 1 188 . 1 1 19 19 LEU N N 15 118.755 0.2 . 1 . . . A 19 LEU N . 25775 1 189 . 1 1 20 20 SER H H 1 9.339 0.02 . 1 . . . A 20 SER H . 25775 1 190 . 1 1 20 20 SER HA H 1 4.848 0.02 . 1 . . . A 20 SER HA . 25775 1 191 . 1 1 20 20 SER HB2 H 1 3.767 0.02 . 1 . . . A 20 SER HB2 . 25775 1 192 . 1 1 20 20 SER HB3 H 1 3.767 0.02 . 1 . . . A 20 SER HB3 . 25775 1 193 . 1 1 20 20 SER CA C 13 56.143 0.3 . 1 . . . A 20 SER CA . 25775 1 194 . 1 1 20 20 SER CB C 13 65.870 0.3 . 1 . . . A 20 SER CB . 25775 1 195 . 1 1 20 20 SER N N 15 113.497 0.2 . 1 . . . A 20 SER N . 25775 1 196 . 1 1 21 21 CYS H H 1 8.700 0.02 . 1 . . . A 21 CYS H . 25775 1 197 . 1 1 21 21 CYS HA H 1 4.638 0.02 . 1 . . . A 21 CYS HA . 25775 1 198 . 1 1 21 21 CYS HB2 H 1 2.801 0.02 . 2 . . . A 21 CYS HB2 . 25775 1 199 . 1 1 21 21 CYS HB3 H 1 2.462 0.02 . 2 . . . A 21 CYS HB3 . 25775 1 200 . 1 1 21 21 CYS CA C 13 53.379 0.3 . 1 . . . A 21 CYS CA . 25775 1 201 . 1 1 21 21 CYS CB C 13 41.159 0.3 . 1 . . . A 21 CYS CB . 25775 1 202 . 1 1 21 21 CYS N N 15 123.504 0.2 . 1 . . . A 21 CYS N . 25775 1 203 . 1 1 22 22 ARG H H 1 8.425 0.02 . 1 . . . A 22 ARG H . 25775 1 204 . 1 1 22 22 ARG HA H 1 4.184 0.02 . 1 . . . A 22 ARG HA . 25775 1 205 . 1 1 22 22 ARG HB2 H 1 1.786 0.02 . 2 . . . A 22 ARG HB2 . 25775 1 206 . 1 1 22 22 ARG HB3 H 1 1.505 0.02 . 2 . . . A 22 ARG HB3 . 25775 1 207 . 1 1 22 22 ARG HG2 H 1 1.479 0.02 . 2 . . . A 22 ARG HG2 . 25775 1 208 . 1 1 22 22 ARG HG3 H 1 1.406 0.02 . 2 . . . A 22 ARG HG3 . 25775 1 209 . 1 1 22 22 ARG HD2 H 1 2.807 0.02 . 2 . . . A 22 ARG HD2 . 25775 1 210 . 1 1 22 22 ARG HD3 H 1 2.600 0.02 . 2 . . . A 22 ARG HD3 . 25775 1 211 . 1 1 22 22 ARG HE H 1 7.703 0.02 . 1 . . . A 22 ARG HE . 25775 1 212 . 1 1 22 22 ARG CA C 13 56.079 0.3 . 1 . . . A 22 ARG CA . 25775 1 213 . 1 1 22 22 ARG CB C 13 30.375 0.3 . 1 . . . A 22 ARG CB . 25775 1 214 . 1 1 22 22 ARG CG C 13 26.783 0.3 . 1 . . . A 22 ARG CG . 25775 1 215 . 1 1 22 22 ARG CD C 13 42.800 0.3 . 1 . . . A 22 ARG CD . 25775 1 216 . 1 1 22 22 ARG N N 15 131.352 0.2 . 1 . . . A 22 ARG N . 25775 1 217 . 1 1 22 22 ARG NE N 15 84.070 0.2 . 1 . . . A 22 ARG NE . 25775 1 218 . 1 1 23 23 SER H H 1 8.191 0.02 . 1 . . . A 23 SER H . 25775 1 219 . 1 1 23 23 SER HA H 1 4.259 0.02 . 1 . . . A 23 SER HA . 25775 1 220 . 1 1 23 23 SER HB2 H 1 3.848 0.02 . 2 . . . A 23 SER HB2 . 25775 1 221 . 1 1 23 23 SER HB3 H 1 3.886 0.02 . 2 . . . A 23 SER HB3 . 25775 1 222 . 1 1 23 23 SER CA C 13 60.879 0.3 . 1 . . . A 23 SER CA . 25775 1 223 . 1 1 23 23 SER CB C 13 63.926 0.3 . 1 . . . A 23 SER CB . 25775 1 224 . 1 1 23 23 SER N N 15 116.579 0.2 . 1 . . . A 23 SER N . 25775 1 225 . 1 1 24 24 ASP H H 1 7.746 0.02 . 1 . . . A 24 ASP H . 25775 1 226 . 1 1 24 24 ASP HA H 1 4.591 0.02 . 1 . . . A 24 ASP HA . 25775 1 227 . 1 1 24 24 ASP HB2 H 1 2.940 0.02 . 2 . . . A 24 ASP HB2 . 25775 1 228 . 1 1 24 24 ASP HB3 H 1 2.904 0.02 . 2 . . . A 24 ASP HB3 . 25775 1 229 . 1 1 24 24 ASP CA C 13 55.687 0.3 . 1 . . . A 24 ASP CA . 25775 1 230 . 1 1 24 24 ASP CB C 13 39.538 0.3 . 1 . . . A 24 ASP CB . 25775 1 231 . 1 1 24 24 ASP N N 15 118.399 0.2 . 1 . . . A 24 ASP N . 25775 1 232 . 1 1 25 25 TRP H H 1 7.962 0.02 . 1 . . . A 25 TRP H . 25775 1 233 . 1 1 25 25 TRP HA H 1 4.671 0.02 . 1 . . . A 25 TRP HA . 25775 1 234 . 1 1 25 25 TRP HB2 H 1 3.182 0.02 . 2 . . . A 25 TRP HB2 . 25775 1 235 . 1 1 25 25 TRP HB3 H 1 2.300 0.02 . 2 . . . A 25 TRP HB3 . 25775 1 236 . 1 1 25 25 TRP HD1 H 1 7.002 0.02 . 1 . . . A 25 TRP HD1 . 25775 1 237 . 1 1 25 25 TRP HE1 H 1 10.067 0.02 . 1 . . . A 25 TRP HE1 . 25775 1 238 . 1 1 25 25 TRP HE3 H 1 7.528 0.02 . 1 . . . A 25 TRP HE3 . 25775 1 239 . 1 1 25 25 TRP HZ2 H 1 7.470 0.02 . 1 . . . A 25 TRP HZ2 . 25775 1 240 . 1 1 25 25 TRP HZ3 H 1 7.143 0.02 . 1 . . . A 25 TRP HZ3 . 25775 1 241 . 1 1 25 25 TRP HH2 H 1 7.247 0.02 . 1 . . . A 25 TRP HH2 . 25775 1 242 . 1 1 25 25 TRP CA C 13 54.658 0.3 . 1 . . . A 25 TRP CA . 25775 1 243 . 1 1 25 25 TRP CB C 13 31.044 0.3 . 1 . . . A 25 TRP CB . 25775 1 244 . 1 1 25 25 TRP CD1 C 13 126.088 0.3 . 1 . . . A 25 TRP CD1 . 25775 1 245 . 1 1 25 25 TRP CE3 C 13 120.980 0.3 . 1 . . . A 25 TRP CE3 . 25775 1 246 . 1 1 25 25 TRP CZ2 C 13 114.596 0.3 . 1 . . . A 25 TRP CZ2 . 25775 1 247 . 1 1 25 25 TRP CZ3 C 13 121.895 0.3 . 1 . . . A 25 TRP CZ3 . 25775 1 248 . 1 1 25 25 TRP CH2 C 13 124.746 0.3 . 1 . . . A 25 TRP CH2 . 25775 1 249 . 1 1 25 25 TRP N N 15 120.253 0.2 . 1 . . . A 25 TRP N . 25775 1 250 . 1 1 25 25 TRP NE1 N 15 128.723 0.2 . 1 . . . A 25 TRP NE1 . 25775 1 251 . 1 1 26 26 LYS H H 1 8.161 0.02 . 1 . . . A 26 LYS H . 25775 1 252 . 1 1 26 26 LYS HA H 1 3.910 0.02 . 1 . . . A 26 LYS HA . 25775 1 253 . 1 1 26 26 LYS HB2 H 1 2.274 0.02 . 2 . . . A 26 LYS HB2 . 25775 1 254 . 1 1 26 26 LYS HB3 H 1 2.080 0.02 . 2 . . . A 26 LYS HB3 . 25775 1 255 . 1 1 26 26 LYS HG2 H 1 1.296 0.02 . 2 . . . A 26 LYS HG2 . 25775 1 256 . 1 1 26 26 LYS HG3 H 1 1.327 0.02 . 2 . . . A 26 LYS HG3 . 25775 1 257 . 1 1 26 26 LYS HD2 H 1 1.700 0.02 . 2 . . . A 26 LYS HD2 . 25775 1 258 . 1 1 26 26 LYS HD3 H 1 1.651 0.02 . 2 . . . A 26 LYS HD3 . 25775 1 259 . 1 1 26 26 LYS HE2 H 1 3.031 0.02 . 1 . . . A 26 LYS HE2 . 25775 1 260 . 1 1 26 26 LYS HE3 H 1 3.031 0.02 . 1 . . . A 26 LYS HE3 . 25775 1 261 . 1 1 26 26 LYS CA C 13 56.647 0.3 . 1 . . . A 26 LYS CA . 25775 1 262 . 1 1 26 26 LYS CB C 13 27.985 0.3 . 1 . . . A 26 LYS CB . 25775 1 263 . 1 1 26 26 LYS CG C 13 24.565 0.3 . 1 . . . A 26 LYS CG . 25775 1 264 . 1 1 26 26 LYS CD C 13 28.731 0.3 . 1 . . . A 26 LYS CD . 25775 1 265 . 1 1 26 26 LYS CE C 13 42.468 0.3 . 1 . . . A 26 LYS CE . 25775 1 266 . 1 1 26 26 LYS N N 15 114.205 0.2 . 1 . . . A 26 LYS N . 25775 1 267 . 1 1 27 27 TYR H H 1 6.879 0.02 . 1 . . . A 27 TYR H . 25775 1 268 . 1 1 27 27 TYR HA H 1 5.522 0.02 . 1 . . . A 27 TYR HA . 25775 1 269 . 1 1 27 27 TYR HB2 H 1 2.643 0.02 . 2 . . . A 27 TYR HB2 . 25775 1 270 . 1 1 27 27 TYR HB3 H 1 2.793 0.02 . 2 . . . A 27 TYR HB3 . 25775 1 271 . 1 1 27 27 TYR HD1 H 1 6.936 0.02 . 1 . . . A 27 TYR HD1 . 25775 1 272 . 1 1 27 27 TYR HD2 H 1 6.936 0.02 . 1 . . . A 27 TYR HD2 . 25775 1 273 . 1 1 27 27 TYR HE1 H 1 6.621 0.02 . 1 . . . A 27 TYR HE1 . 25775 1 274 . 1 1 27 27 TYR HE2 H 1 6.621 0.02 . 1 . . . A 27 TYR HE2 . 25775 1 275 . 1 1 27 27 TYR CA C 13 55.854 0.3 . 1 . . . A 27 TYR CA . 25775 1 276 . 1 1 27 27 TYR CB C 13 41.270 0.3 . 1 . . . A 27 TYR CB . 25775 1 277 . 1 1 27 27 TYR CD2 C 13 133.897 0.3 . 1 . . . A 27 TYR CD2 . 25775 1 278 . 1 1 27 27 TYR CE2 C 13 118.030 0.3 . 1 . . . A 27 TYR CE2 . 25775 1 279 . 1 1 27 27 TYR N N 15 111.730 0.2 . 1 . . . A 27 TYR N . 25775 1 280 . 1 1 28 28 CYS H H 1 8.916 0.02 . 1 . . . A 28 CYS H . 25775 1 281 . 1 1 28 28 CYS HA H 1 4.863 0.02 . 1 . . . A 28 CYS HA . 25775 1 282 . 1 1 28 28 CYS HB2 H 1 2.520 0.02 . 2 . . . A 28 CYS HB2 . 25775 1 283 . 1 1 28 28 CYS HB3 H 1 2.996 0.02 . 2 . . . A 28 CYS HB3 . 25775 1 284 . 1 1 28 28 CYS CA C 13 55.737 0.3 . 1 . . . A 28 CYS CA . 25775 1 285 . 1 1 28 28 CYS CB C 13 41.013 0.3 . 1 . . . A 28 CYS CB . 25775 1 286 . 1 1 28 28 CYS N N 15 119.698 0.2 . 1 . . . A 28 CYS N . 25775 1 287 . 1 1 29 29 ALA H H 1 9.484 0.02 . 1 . . . A 29 ALA H . 25775 1 288 . 1 1 29 29 ALA HA H 1 4.644 0.02 . 1 . . . A 29 ALA HA . 25775 1 289 . 1 1 29 29 ALA HB1 H 1 1.484 0.02 . 1 . . . A 29 ALA HB1 . 25775 1 290 . 1 1 29 29 ALA HB2 H 1 1.484 0.02 . 1 . . . A 29 ALA HB2 . 25775 1 291 . 1 1 29 29 ALA HB3 H 1 1.484 0.02 . 1 . . . A 29 ALA HB3 . 25775 1 292 . 1 1 29 29 ALA CA C 13 50.518 0.3 . 1 . . . A 29 ALA CA . 25775 1 293 . 1 1 29 29 ALA CB C 13 23.048 0.3 . 1 . . . A 29 ALA CB . 25775 1 294 . 1 1 29 29 ALA N N 15 128.521 0.2 . 1 . . . A 29 ALA N . 25775 1 295 . 1 1 30 30 TRP H H 1 7.950 0.02 . 1 . . . A 30 TRP H . 25775 1 296 . 1 1 30 30 TRP HA H 1 4.746 0.02 . 1 . . . A 30 TRP HA . 25775 1 297 . 1 1 30 30 TRP HB2 H 1 3.411 0.02 . 2 . . . A 30 TRP HB2 . 25775 1 298 . 1 1 30 30 TRP HB3 H 1 3.099 0.02 . 2 . . . A 30 TRP HB3 . 25775 1 299 . 1 1 30 30 TRP HD1 H 1 7.290 0.02 . 1 . . . A 30 TRP HD1 . 25775 1 300 . 1 1 30 30 TRP HE1 H 1 10.115 0.02 . 1 . . . A 30 TRP HE1 . 25775 1 301 . 1 1 30 30 TRP HE3 H 1 7.680 0.02 . 1 . . . A 30 TRP HE3 . 25775 1 302 . 1 1 30 30 TRP HZ2 H 1 7.330 0.02 . 1 . . . A 30 TRP HZ2 . 25775 1 303 . 1 1 30 30 TRP HZ3 H 1 7.088 0.02 . 1 . . . A 30 TRP HZ3 . 25775 1 304 . 1 1 30 30 TRP HH2 H 1 7.209 0.02 . 1 . . . A 30 TRP HH2 . 25775 1 305 . 1 1 30 30 TRP CB C 13 29.998 0.3 . 1 . . . A 30 TRP CB . 25775 1 306 . 1 1 30 30 TRP CD1 C 13 127.698 0.3 . 1 . . . A 30 TRP CD1 . 25775 1 307 . 1 1 30 30 TRP CE3 C 13 121.371 0.3 . 1 . . . A 30 TRP CE3 . 25775 1 308 . 1 1 30 30 TRP CZ2 C 13 114.523 0.3 . 1 . . . A 30 TRP CZ2 . 25775 1 309 . 1 1 30 30 TRP CZ3 C 13 121.913 0.3 . 1 . . . A 30 TRP CZ3 . 25775 1 310 . 1 1 30 30 TRP CH2 C 13 124.662 0.3 . 1 . . . A 30 TRP CH2 . 25775 1 311 . 1 1 30 30 TRP N N 15 120.346 0.2 . 1 . . . A 30 TRP N . 25775 1 312 . 1 1 30 30 TRP NE1 N 15 129.652 0.2 . 1 . . . A 30 TRP NE1 . 25775 1 313 . 1 1 31 31 ASP H H 1 8.669 0.02 . 1 . . . A 31 ASP H . 25775 1 314 . 1 1 31 31 ASP HA H 1 4.642 0.02 . 1 . . . A 31 ASP HA . 25775 1 315 . 1 1 31 31 ASP HB2 H 1 2.723 0.02 . 2 . . . A 31 ASP HB2 . 25775 1 316 . 1 1 31 31 ASP HB3 H 1 2.753 0.02 . 2 . . . A 31 ASP HB3 . 25775 1 317 . 1 1 31 31 ASP CA C 13 55.142 0.3 . 1 . . . A 31 ASP CA . 25775 1 318 . 1 1 31 31 ASP CB C 13 38.948 0.3 . 1 . . . A 31 ASP CB . 25775 1 319 . 1 1 31 31 ASP N N 15 123.675 0.2 . 1 . . . A 31 ASP N . 25775 1 320 . 1 1 32 32 GLY H H 1 7.944 0.02 . 1 . . . A 32 GLY H . 25775 1 321 . 1 1 32 32 GLY HA2 H 1 3.645 0.02 . 2 . . . A 32 GLY HA2 . 25775 1 322 . 1 1 32 32 GLY HA3 H 1 3.965 0.02 . 2 . . . A 32 GLY HA3 . 25775 1 323 . 1 1 32 32 GLY CA C 13 45.546 0.3 . 1 . . . A 32 GLY CA . 25775 1 324 . 1 1 32 32 GLY N N 15 109.050 0.2 . 1 . . . A 32 GLY N . 25775 1 325 . 1 1 33 33 THR H H 1 7.944 0.02 . 1 . . . A 33 THR H . 25775 1 326 . 1 1 33 33 THR HA H 1 4.316 0.02 . 1 . . . A 33 THR HA . 25775 1 327 . 1 1 33 33 THR HB H 1 4.237 0.02 . 1 . . . A 33 THR HB . 25775 1 328 . 1 1 33 33 THR HG21 H 1 1.120 0.02 . 1 . . . A 33 THR HG21 . 25775 1 329 . 1 1 33 33 THR HG22 H 1 1.120 0.02 . 1 . . . A 33 THR HG22 . 25775 1 330 . 1 1 33 33 THR HG23 H 1 1.120 0.02 . 1 . . . A 33 THR HG23 . 25775 1 331 . 1 1 33 33 THR CA C 13 62.025 0.3 . 1 . . . A 33 THR CA . 25775 1 332 . 1 1 33 33 THR CB C 13 69.946 0.3 . 1 . . . A 33 THR CB . 25775 1 333 . 1 1 33 33 THR CG2 C 13 21.585 0.3 . 1 . . . A 33 THR CG2 . 25775 1 334 . 1 1 33 33 THR N N 15 112.503 0.2 . 1 . . . A 33 THR N . 25775 1 335 . 1 1 34 34 PHE H H 1 8.067 0.02 . 1 . . . A 34 PHE H . 25775 1 336 . 1 1 34 34 PHE HA H 1 4.624 0.02 . 1 . . . A 34 PHE HA . 25775 1 337 . 1 1 34 34 PHE HB2 H 1 2.927 0.02 . 2 . . . A 34 PHE HB2 . 25775 1 338 . 1 1 34 34 PHE HB3 H 1 3.050 0.02 . 2 . . . A 34 PHE HB3 . 25775 1 339 . 1 1 34 34 PHE HD1 H 1 7.132 0.02 . 1 . . . A 34 PHE HD1 . 25775 1 340 . 1 1 34 34 PHE HD2 H 1 7.132 0.02 . 1 . . . A 34 PHE HD2 . 25775 1 341 . 1 1 34 34 PHE HE1 H 1 7.212 0.02 . 1 . . . A 34 PHE HE1 . 25775 1 342 . 1 1 34 34 PHE HE2 H 1 7.212 0.02 . 1 . . . A 34 PHE HE2 . 25775 1 343 . 1 1 34 34 PHE HZ H 1 7.226 0.02 . 1 . . . A 34 PHE HZ . 25775 1 344 . 1 1 34 34 PHE CA C 13 57.395 0.3 . 1 . . . A 34 PHE CA . 25775 1 345 . 1 1 34 34 PHE CB C 13 40.002 0.3 . 1 . . . A 34 PHE CB . 25775 1 346 . 1 1 34 34 PHE CD1 C 13 132.136 0.3 . 1 . . . A 34 PHE CD1 . 25775 1 347 . 1 1 34 34 PHE CE1 C 13 131.292 0.3 . 1 . . . A 34 PHE CE1 . 25775 1 348 . 1 1 34 34 PHE CZ C 13 129.526 0.3 . 1 . . . A 34 PHE CZ . 25775 1 349 . 1 1 34 34 PHE N N 15 121.576 0.2 . 1 . . . A 34 PHE N . 25775 1 350 . 1 1 35 35 SER H H 1 8.047 0.02 . 1 . . . A 35 SER H . 25775 1 351 . 1 1 35 35 SER HA H 1 4.223 0.02 . 1 . . . A 35 SER HA . 25775 1 352 . 1 1 35 35 SER HB2 H 1 3.754 0.02 . 2 . . . A 35 SER HB2 . 25775 1 353 . 1 1 35 35 SER HB3 H 1 3.825 0.02 . 2 . . . A 35 SER HB3 . 25775 1 354 . 1 1 35 35 SER CA C 13 58.518 0.3 . 1 . . . A 35 SER CA . 25775 1 355 . 1 1 35 35 SER CB C 13 64.283 0.3 . 1 . . . A 35 SER CB . 25775 1 356 . 1 1 35 35 SER N N 15 119.305 0.2 . 1 . . . A 35 SER N . 25775 1 stop_ save_