data_17923 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17923 _Entry.Title ; 3D solution structure of plant defensin Lc-def ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-09-07 _Entry.Accession_date 2011-09-07 _Entry.Last_release_date 2012-09-05 _Entry.Original_release_date 2012-09-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Zakhar Shenkarev . . . 17923 2 Konstantin Mineev . . . 17923 3 Albina Gizatullina . . . 17923 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' . 17923 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID lentil . 17923 NMR . 17923 'plant defensin' . 17923 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17923 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 54 17923 '15N chemical shifts' 45 17923 '1H chemical shifts' 286 17923 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 . . 2012-09-05 2011-09-07 original author . 17923 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LJ7 'BMRB Entry Tracking System' 17923 stop_ save_ ############### # Citations # ############### save_Citation_1 _Citation.Sf_category citations _Citation.Sf_framecode Citation_1 _Citation.Entry_ID 17923 _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 'Solution structure of defensin Lc-def from germinated lentil (Lens Culinaris) seeds' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev Biochemistry _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.Entry_ID _Citation_author.Citation_ID 1 Zakhar Shenkarev . . . 17923 1 2 Konstantin Mineev . . . 17923 1 3 Albina Gizatullina . . . 17923 1 4 Ekaterina Finkina . . . 17923 1 5 Alexander Arseniev . . . 17923 1 6 Tatyana Ovchinnikova . . . 17923 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17923 _Assembly.ID 1 _Assembly.Name 'defensin Lc-def from germinated lentil seeds' _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 'defensin Lc-def from germinated lentil seeds' 1 $entity A . yes native no no . . . 17923 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 3 3 SG . 1 . 1 CYS 47 47 SG . . . . . . . . . . 17923 1 2 disulfide single . 1 . 1 CYS 14 14 SG . 1 . 1 CYS 35 35 SG . . . . . . . . . . 17923 1 3 disulfide single . 1 . 1 CYS 20 20 SG . 1 . 1 CYS 41 41 SG . . . . . . . . . . 17923 1 4 disulfide single . 1 . 1 CYS 24 24 SG . 1 . 1 CYS 43 43 SG . . . . . . . . . . 17923 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 17923 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; KTCENLSDSFKGPCIPDGNC NKHCKEKEHLLSGRCRDDFR CWCTRNC ; _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 47 _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 5460.254 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LJ7 . "3d Solution Structure Of Plant Defensin Lc-def" . . . . . 100.00 47 100.00 100.00 1.52e-24 . . . . 17923 1 2 no GB ABP04037 . "defensin precursor [Lens culinaris subsp. culinaris]" . . . . . 100.00 74 100.00 100.00 4.04e-26 . . . . 17923 1 3 no SP B3F051 . "RecName: Full=Defensin Lc-def; Flags: Precursor" . . . . . 100.00 74 100.00 100.00 4.04e-26 . . . . 17923 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 . LYS . 17923 1 2 . THR . 17923 1 3 . CYS . 17923 1 4 . GLU . 17923 1 5 . ASN . 17923 1 6 . LEU . 17923 1 7 . SER . 17923 1 8 . ASP . 17923 1 9 . SER . 17923 1 10 . PHE . 17923 1 11 . LYS . 17923 1 12 . GLY . 17923 1 13 . PRO . 17923 1 14 . CYS . 17923 1 15 . ILE . 17923 1 16 . PRO . 17923 1 17 . ASP . 17923 1 18 . GLY . 17923 1 19 . ASN . 17923 1 20 . CYS . 17923 1 21 . ASN . 17923 1 22 . LYS . 17923 1 23 . HIS . 17923 1 24 . CYS . 17923 1 25 . LYS . 17923 1 26 . GLU . 17923 1 27 . LYS . 17923 1 28 . GLU . 17923 1 29 . HIS . 17923 1 30 . LEU . 17923 1 31 . LEU . 17923 1 32 . SER . 17923 1 33 . GLY . 17923 1 34 . ARG . 17923 1 35 . CYS . 17923 1 36 . ARG . 17923 1 37 . ASP . 17923 1 38 . ASP . 17923 1 39 . PHE . 17923 1 40 . ARG . 17923 1 41 . CYS . 17923 1 42 . TRP . 17923 1 43 . CYS . 17923 1 44 . THR . 17923 1 45 . ARG . 17923 1 46 . ASN . 17923 1 47 . CYS . 17923 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . LYS 1 1 17923 1 . THR 2 2 17923 1 . CYS 3 3 17923 1 . GLU 4 4 17923 1 . ASN 5 5 17923 1 . LEU 6 6 17923 1 . SER 7 7 17923 1 . ASP 8 8 17923 1 . SER 9 9 17923 1 . PHE 10 10 17923 1 . LYS 11 11 17923 1 . GLY 12 12 17923 1 . PRO 13 13 17923 1 . CYS 14 14 17923 1 . ILE 15 15 17923 1 . PRO 16 16 17923 1 . ASP 17 17 17923 1 . GLY 18 18 17923 1 . ASN 19 19 17923 1 . CYS 20 20 17923 1 . ASN 21 21 17923 1 . LYS 22 22 17923 1 . HIS 23 23 17923 1 . CYS 24 24 17923 1 . LYS 25 25 17923 1 . GLU 26 26 17923 1 . LYS 27 27 17923 1 . GLU 28 28 17923 1 . HIS 29 29 17923 1 . LEU 30 30 17923 1 . LEU 31 31 17923 1 . SER 32 32 17923 1 . GLY 33 33 17923 1 . ARG 34 34 17923 1 . CYS 35 35 17923 1 . ARG 36 36 17923 1 . ASP 37 37 17923 1 . ASP 38 38 17923 1 . PHE 39 39 17923 1 . ARG 40 40 17923 1 . CYS 41 41 17923 1 . TRP 42 42 17923 1 . CYS 43 43 17923 1 . THR 44 44 17923 1 . ARG 45 45 17923 1 . ASN 46 46 17923 1 . CYS 47 47 17923 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 17923 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 3864 organism . 'lentil Lens Culinaris' lentil . . Eukaryota Viridiplantae Lens culinaris . . . . . . . . . . . . . . . . . . . . . 17923 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 17923 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEM-T . . . . . . 17923 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17923 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Lc-def 'natural abundance' . . 1 $entity . . 1 . . mM . . . . 17923 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17923 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Lc-def '[U-100% 15N]' . . 1 $entity . . 0.5 . . mM . . . . 17923 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17923 _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 17923 1 pH 5.0 . pH 17923 1 pressure 1 . atm 17923 1 temperature 303 . K 17923 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 17923 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 17923 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17923 1 'peak picking' 17923 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17923 _Software.ID 2 _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' . . 17923 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17923 2 'structure solution' 17923 2 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 17923 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17923 _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 . 600 cryoprobe . . 17923 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 17923 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17923 1 2 '2D 1H-1H NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17923 1 3 '2D DQF-COSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17923 1 4 '2D 1H-13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17923 1 5 '3D HNHA' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17923 1 6 '3D HNHB' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17923 1 7 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17923 1 8 '3D 1H-15N TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17923 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 17923 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 17923 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17923 1 H 1 water protons . . . . ppm 4.75 na direct 1 . . . . . . . . . 17923 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17923 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 17923 _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' . . . 17923 1 2 '2D 1H-1H NOESY' . . . 17923 1 3 '2D DQF-COSY' . . . 17923 1 4 '2D 1H-13C HSQC' . . . 17923 1 5 '3D HNHA' . . . 17923 1 6 '3D HNHB' . . . 17923 1 7 '3D 1H-15N NOESY' . . . 17923 1 8 '3D 1H-15N TOCSY' . . . 17923 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 LYS HA H 1 4.193 0.000 . 1 . . . A 1 LYS HA . 17923 1 2 . 1 1 1 1 LYS HB2 H 1 2.007 0.000 . 1 . . . A 1 LYS HB2 . 17923 1 3 . 1 1 1 1 LYS HB3 H 1 1.982 0.000 . 1 . . . A 1 LYS HB3 . 17923 1 4 . 1 1 1 1 LYS HG2 H 1 1.740 0.000 . 2 . . . A 1 LYS HG2 . 17923 1 5 . 1 1 1 1 LYS HG3 H 1 1.524 0.000 . 2 . . . A 1 LYS HG3 . 17923 1 6 . 1 1 1 1 LYS HD2 H 1 1.218 0.000 . 1 . . . A 1 LYS HD2 . 17923 1 7 . 1 1 1 1 LYS HD3 H 1 1.218 0.000 . 1 . . . A 1 LYS HD3 . 17923 1 8 . 1 1 1 1 LYS HE2 H 1 3.038 0.000 . 1 . . . A 1 LYS HE2 . 17923 1 9 . 1 1 1 1 LYS HE3 H 1 3.038 0.000 . 1 . . . A 1 LYS HE3 . 17923 1 10 . 1 1 1 1 LYS CA C 13 55.556 0.000 . 1 . . . A 1 LYS CA . 17923 1 11 . 1 1 1 1 LYS CG C 13 23.456 0.000 . 1 . . . A 1 LYS CG . 17923 1 12 . 1 1 2 2 THR H H 1 8.418 0.000 . 1 . . . A 2 THR H . 17923 1 13 . 1 1 2 2 THR HA H 1 5.352 0.000 . 1 . . . A 2 THR HA . 17923 1 14 . 1 1 2 2 THR HB H 1 4.099 0.000 . 1 . . . A 2 THR HB . 17923 1 15 . 1 1 2 2 THR HG21 H 1 1.060 0.000 . 1 . . . A 2 THR HG21 . 17923 1 16 . 1 1 2 2 THR HG22 H 1 1.060 0.000 . 1 . . . A 2 THR HG22 . 17923 1 17 . 1 1 2 2 THR HG23 H 1 1.060 0.000 . 1 . . . A 2 THR HG23 . 17923 1 18 . 1 1 2 2 THR CA C 13 57.791 0.000 . 1 . . . A 2 THR CA . 17923 1 19 . 1 1 2 2 THR CG2 C 13 18.534 0.000 . 1 . . . A 2 THR CG2 . 17923 1 20 . 1 1 2 2 THR N N 15 113.355 0.000 . 1 . . . A 2 THR N . 17923 1 21 . 1 1 3 3 CYS H H 1 9.073 0.000 . 1 . . . A 3 CYS H . 17923 1 22 . 1 1 3 3 CYS HA H 1 5.112 0.000 . 1 . . . A 3 CYS HA . 17923 1 23 . 1 1 3 3 CYS HB2 H 1 2.949 0.000 . 1 . . . A 3 CYS HB2 . 17923 1 24 . 1 1 3 3 CYS HB3 H 1 2.763 0.000 . 1 . . . A 3 CYS HB3 . 17923 1 25 . 1 1 3 3 CYS N N 15 118.562 0.000 . 1 . . . A 3 CYS N . 17923 1 26 . 1 1 4 4 GLU H H 1 8.706 0.000 . 1 . . . A 4 GLU H . 17923 1 27 . 1 1 4 4 GLU HA H 1 5.558 0.000 . 1 . . . A 4 GLU HA . 17923 1 28 . 1 1 4 4 GLU HB2 H 1 2.083 0.000 . 1 . . . A 4 GLU HB2 . 17923 1 29 . 1 1 4 4 GLU HB3 H 1 1.826 0.000 . 1 . . . A 4 GLU HB3 . 17923 1 30 . 1 1 4 4 GLU HG2 H 1 2.301 0.000 . 1 . . . A 4 GLU HG2 . 17923 1 31 . 1 1 4 4 GLU HG3 H 1 2.230 0.000 . 1 . . . A 4 GLU HG3 . 17923 1 32 . 1 1 4 4 GLU CA C 13 52.152 0.000 . 1 . . . A 4 GLU CA . 17923 1 33 . 1 1 4 4 GLU CB C 13 30.027 0.000 . 1 . . . A 4 GLU CB . 17923 1 34 . 1 1 4 4 GLU CG C 13 34.993 0.000 . 1 . . . A 4 GLU CG . 17923 1 35 . 1 1 4 4 GLU N N 15 122.831 0.000 . 1 . . . A 4 GLU N . 17923 1 36 . 1 1 5 5 ASN H H 1 8.981 0.000 . 1 . . . A 5 ASN H . 17923 1 37 . 1 1 5 5 ASN HA H 1 5.274 0.000 . 1 . . . A 5 ASN HA . 17923 1 38 . 1 1 5 5 ASN HB2 H 1 2.749 0.000 . 1 . . . A 5 ASN HB2 . 17923 1 39 . 1 1 5 5 ASN HB3 H 1 2.508 0.000 . 1 . . . A 5 ASN HB3 . 17923 1 40 . 1 1 5 5 ASN HD21 H 1 7.682 0.000 . 2 . . . A 5 ASN HD21 . 17923 1 41 . 1 1 5 5 ASN HD22 H 1 6.883 0.000 . 2 . . . A 5 ASN HD22 . 17923 1 42 . 1 1 5 5 ASN CB C 13 40.835 0.000 . 1 . . . A 5 ASN CB . 17923 1 43 . 1 1 5 5 ASN N N 15 121.646 0.000 . 1 . . . A 5 ASN N . 17923 1 44 . 1 1 5 5 ASN ND2 N 15 111.809 0.000 . 1 . . . A 5 ASN ND2 . 17923 1 45 . 1 1 6 6 LEU H H 1 8.113 0.000 . 1 . . . A 6 LEU H . 17923 1 46 . 1 1 6 6 LEU HA H 1 3.065 0.000 . 1 . . . A 6 LEU HA . 17923 1 47 . 1 1 6 6 LEU HB2 H 1 0.968 0.000 . 1 . . . A 6 LEU HB2 . 17923 1 48 . 1 1 6 6 LEU HB3 H 1 0.747 0.000 . 1 . . . A 6 LEU HB3 . 17923 1 49 . 1 1 6 6 LEU HG H 1 0.269 0.000 . 1 . . . A 6 LEU HG . 17923 1 50 . 1 1 6 6 LEU HD11 H 1 0.472 0.000 . 1 . . . A 6 LEU HD11 . 17923 1 51 . 1 1 6 6 LEU HD12 H 1 0.472 0.000 . 1 . . . A 6 LEU HD12 . 17923 1 52 . 1 1 6 6 LEU HD13 H 1 0.472 0.000 . 1 . . . A 6 LEU HD13 . 17923 1 53 . 1 1 6 6 LEU HD21 H 1 0.103 0.000 . 1 . . . A 6 LEU HD21 . 17923 1 54 . 1 1 6 6 LEU HD22 H 1 0.103 0.000 . 1 . . . A 6 LEU HD22 . 17923 1 55 . 1 1 6 6 LEU HD23 H 1 0.103 0.000 . 1 . . . A 6 LEU HD23 . 17923 1 56 . 1 1 6 6 LEU CA C 13 53.166 0.000 . 1 . . . A 6 LEU CA . 17923 1 57 . 1 1 6 6 LEU CB C 13 39.413 0.000 . 1 . . . A 6 LEU CB . 17923 1 58 . 1 1 6 6 LEU CG C 13 23.653 0.000 . 1 . . . A 6 LEU CG . 17923 1 59 . 1 1 6 6 LEU CD1 C 13 22.106 0.000 . 1 . . . A 6 LEU CD1 . 17923 1 60 . 1 1 6 6 LEU CD2 C 13 21.572 0.000 . 1 . . . A 6 LEU CD2 . 17923 1 61 . 1 1 6 6 LEU N N 15 125.467 0.000 . 1 . . . A 6 LEU N . 17923 1 62 . 1 1 7 7 SER H H 1 8.526 0.000 . 1 . . . A 7 SER H . 17923 1 63 . 1 1 7 7 SER HA H 1 4.534 0.000 . 1 . . . A 7 SER HA . 17923 1 64 . 1 1 7 7 SER HB2 H 1 4.088 0.000 . 1 . . . A 7 SER HB2 . 17923 1 65 . 1 1 7 7 SER HB3 H 1 3.545 0.000 . 1 . . . A 7 SER HB3 . 17923 1 66 . 1 1 7 7 SER CB C 13 60.583 0.000 . 1 . . . A 7 SER CB . 17923 1 67 . 1 1 7 7 SER N N 15 117.180 0.000 . 1 . . . A 7 SER N . 17923 1 68 . 1 1 8 8 ASP H H 1 9.282 0.000 . 1 . . . A 8 ASP H . 17923 1 69 . 1 1 8 8 ASP HA H 1 4.540 0.000 . 1 . . . A 8 ASP HA . 17923 1 70 . 1 1 8 8 ASP HB2 H 1 2.643 0.000 . 1 . . . A 8 ASP HB2 . 17923 1 71 . 1 1 8 8 ASP HB3 H 1 2.624 0.000 . 1 . . . A 8 ASP HB3 . 17923 1 72 . 1 1 8 8 ASP CB C 13 39.152 0.000 . 1 . . . A 8 ASP CB . 17923 1 73 . 1 1 8 8 ASP N N 15 129.392 0.000 . 1 . . . A 8 ASP N . 17923 1 74 . 1 1 9 9 SER H H 1 8.121 0.000 . 1 . . . A 9 SER H . 17923 1 75 . 1 1 9 9 SER HA H 1 4.544 0.000 . 1 . . . A 9 SER HA . 17923 1 76 . 1 1 9 9 SER HB2 H 1 4.092 0.000 . 1 . . . A 9 SER HB2 . 17923 1 77 . 1 1 9 9 SER HB3 H 1 3.796 0.000 . 1 . . . A 9 SER HB3 . 17923 1 78 . 1 1 9 9 SER CA C 13 55.203 0.000 . 1 . . . A 9 SER CA . 17923 1 79 . 1 1 9 9 SER CB C 13 61.681 0.000 . 1 . . . A 9 SER CB . 17923 1 80 . 1 1 9 9 SER N N 15 109.999 0.000 . 1 . . . A 9 SER N . 17923 1 81 . 1 1 10 10 PHE H H 1 7.824 0.000 . 1 . . . A 10 PHE H . 17923 1 82 . 1 1 10 10 PHE HA H 1 3.554 0.000 . 1 . . . A 10 PHE HA . 17923 1 83 . 1 1 10 10 PHE HB2 H 1 2.823 0.000 . 1 . . . A 10 PHE HB2 . 17923 1 84 . 1 1 10 10 PHE HB3 H 1 2.238 0.000 . 1 . . . A 10 PHE HB3 . 17923 1 85 . 1 1 10 10 PHE HD1 H 1 6.804 0.000 . 1 . . . A 10 PHE HD1 . 17923 1 86 . 1 1 10 10 PHE HD2 H 1 6.804 0.000 . 1 . . . A 10 PHE HD2 . 17923 1 87 . 1 1 10 10 PHE HE1 H 1 6.963 0.000 . 1 . . . A 10 PHE HE1 . 17923 1 88 . 1 1 10 10 PHE HE2 H 1 6.963 0.000 . 1 . . . A 10 PHE HE2 . 17923 1 89 . 1 1 10 10 PHE HZ H 1 7.454 0.000 . 1 . . . A 10 PHE HZ . 17923 1 90 . 1 1 10 10 PHE N N 15 126.667 0.000 . 1 . . . A 10 PHE N . 17923 1 91 . 1 1 11 11 LYS H H 1 7.741 0.000 . 1 . . . A 11 LYS H . 17923 1 92 . 1 1 11 11 LYS HA H 1 4.433 0.000 . 1 . . . A 11 LYS HA . 17923 1 93 . 1 1 11 11 LYS HB2 H 1 1.644 0.000 . 1 . . . A 11 LYS HB2 . 17923 1 94 . 1 1 11 11 LYS HB3 H 1 1.499 0.000 . 1 . . . A 11 LYS HB3 . 17923 1 95 . 1 1 11 11 LYS HG2 H 1 1.354 0.000 . 2 . . . A 11 LYS HG2 . 17923 1 96 . 1 1 11 11 LYS HG3 H 1 1.275 0.000 . 2 . . . A 11 LYS HG3 . 17923 1 97 . 1 1 11 11 LYS HD2 H 1 1.524 0.000 . 1 . . . A 11 LYS HD2 . 17923 1 98 . 1 1 11 11 LYS HD3 H 1 1.524 0.000 . 1 . . . A 11 LYS HD3 . 17923 1 99 . 1 1 11 11 LYS HE2 H 1 2.971 0.000 . 1 . . . A 11 LYS HE2 . 17923 1 100 . 1 1 11 11 LYS HE3 H 1 2.971 0.000 . 1 . . . A 11 LYS HE3 . 17923 1 101 . 1 1 11 11 LYS CB C 13 31.302 0.000 . 1 . . . A 11 LYS CB . 17923 1 102 . 1 1 11 11 LYS CG C 13 21.705 0.000 . 1 . . . A 11 LYS CG . 17923 1 103 . 1 1 11 11 LYS N N 15 128.222 0.000 . 1 . . . A 11 LYS N . 17923 1 104 . 1 1 12 12 GLY H H 1 8.159 0.000 . 1 . . . A 12 GLY H . 17923 1 105 . 1 1 12 12 GLY HA2 H 1 4.094 0.000 . 2 . . . A 12 GLY HA2 . 17923 1 106 . 1 1 12 12 GLY HA3 H 1 3.905 0.000 . 2 . . . A 12 GLY HA3 . 17923 1 107 . 1 1 12 12 GLY CA C 13 41.602 0.000 . 1 . . . A 12 GLY CA . 17923 1 108 . 1 1 12 12 GLY N N 15 110.225 0.000 . 1 . . . A 12 GLY N . 17923 1 109 . 1 1 13 13 PRO HB2 H 1 2.324 0.000 . 1 . . . A 13 PRO HB2 . 17923 1 110 . 1 1 13 13 PRO HB3 H 1 2.108 0.000 . 1 . . . A 13 PRO HB3 . 17923 1 111 . 1 1 13 13 PRO HG2 H 1 2.031 0.000 . 1 . . . A 13 PRO HG2 . 17923 1 112 . 1 1 13 13 PRO HG3 H 1 1.897 0.000 . 1 . . . A 13 PRO HG3 . 17923 1 113 . 1 1 13 13 PRO HD2 H 1 3.634 0.000 . 1 . . . A 13 PRO HD2 . 17923 1 114 . 1 1 13 13 PRO HD3 H 1 3.589 0.000 . 1 . . . A 13 PRO HD3 . 17923 1 115 . 1 1 13 13 PRO CD C 13 46.609 0.000 . 1 . . . A 13 PRO CD . 17923 1 116 . 1 1 15 15 ILE HA H 1 4.847 0.000 . 1 . . . A 15 ILE HA . 17923 1 117 . 1 1 15 15 ILE HB H 1 2.108 0.000 . 1 . . . A 15 ILE HB . 17923 1 118 . 1 1 15 15 ILE HG12 H 1 1.226 0.000 . 2 . . . A 15 ILE HG12 . 17923 1 119 . 1 1 15 15 ILE HG13 H 1 1.313 0.000 . 2 . . . A 15 ILE HG13 . 17923 1 120 . 1 1 15 15 ILE HG21 H 1 0.998 0.000 . 1 . . . A 15 ILE HG21 . 17923 1 121 . 1 1 15 15 ILE HG22 H 1 0.998 0.000 . 1 . . . A 15 ILE HG22 . 17923 1 122 . 1 1 15 15 ILE HG23 H 1 0.998 0.000 . 1 . . . A 15 ILE HG23 . 17923 1 123 . 1 1 15 15 ILE HD11 H 1 0.911 0.000 . 1 . . . A 15 ILE HD11 . 17923 1 124 . 1 1 15 15 ILE HD12 H 1 0.911 0.000 . 1 . . . A 15 ILE HD12 . 17923 1 125 . 1 1 15 15 ILE HD13 H 1 0.911 0.000 . 1 . . . A 15 ILE HD13 . 17923 1 126 . 1 1 15 15 ILE CG2 C 13 15.330 0.000 . 1 . . . A 15 ILE CG2 . 17923 1 127 . 1 1 15 15 ILE CD1 C 13 10.772 0.000 . 1 . . . A 15 ILE CD1 . 17923 1 128 . 1 1 16 16 PRO HB2 H 1 2.391 0.000 . 2 . . . A 16 PRO HB2 . 17923 1 129 . 1 1 16 16 PRO HB3 H 1 2.391 0.000 . 2 . . . A 16 PRO HB3 . 17923 1 130 . 1 1 16 16 PRO HG2 H 1 2.062 0.000 . 2 . . . A 16 PRO HG2 . 17923 1 131 . 1 1 16 16 PRO HG3 H 1 1.974 0.000 . 2 . . . A 16 PRO HG3 . 17923 1 132 . 1 1 16 16 PRO HD2 H 1 3.777 0.000 . 1 . . . A 16 PRO HD2 . 17923 1 133 . 1 1 16 16 PRO HD3 H 1 3.701 0.000 . 1 . . . A 16 PRO HD3 . 17923 1 134 . 1 1 16 16 PRO CD C 13 48.286 0.000 . 1 . . . A 16 PRO CD . 17923 1 135 . 1 1 18 18 GLY H H 1 8.473 0.000 . 1 . . . A 18 GLY H . 17923 1 136 . 1 1 18 18 GLY HA2 H 1 4.309 0.000 . 2 . . . A 18 GLY HA2 . 17923 1 137 . 1 1 18 18 GLY HA3 H 1 4.015 0.000 . 2 . . . A 18 GLY HA3 . 17923 1 138 . 1 1 18 18 GLY N N 15 107.851 0.000 . 1 . . . A 18 GLY N . 17923 1 139 . 1 1 19 19 ASN H H 1 9.383 0.000 . 1 . . . A 19 ASN H . 17923 1 140 . 1 1 19 19 ASN HA H 1 4.754 0.000 . 1 . . . A 19 ASN HA . 17923 1 141 . 1 1 19 19 ASN HB2 H 1 3.087 0.000 . 2 . . . A 19 ASN HB2 . 17923 1 142 . 1 1 19 19 ASN HB3 H 1 2.535 0.000 . 2 . . . A 19 ASN HB3 . 17923 1 143 . 1 1 19 19 ASN N N 15 124.997 0.000 . 1 . . . A 19 ASN N . 17923 1 144 . 1 1 20 20 CYS H H 1 8.091 0.000 . 1 . . . A 20 CYS H . 17923 1 145 . 1 1 20 20 CYS HA H 1 4.298 0.000 . 1 . . . A 20 CYS HA . 17923 1 146 . 1 1 20 20 CYS HB2 H 1 2.789 0.000 . 2 . . . A 20 CYS HB2 . 17923 1 147 . 1 1 20 20 CYS HB3 H 1 2.626 0.000 . 2 . . . A 20 CYS HB3 . 17923 1 148 . 1 1 21 21 ASN H H 1 8.402 0.000 . 1 . . . A 21 ASN H . 17923 1 149 . 1 1 21 21 ASN HA H 1 4.738 0.000 . 1 . . . A 21 ASN HA . 17923 1 150 . 1 1 21 21 ASN HB2 H 1 3.100 0.000 . 1 . . . A 21 ASN HB2 . 17923 1 151 . 1 1 21 21 ASN HB3 H 1 2.794 0.000 . 1 . . . A 21 ASN HB3 . 17923 1 152 . 1 1 21 21 ASN HD21 H 1 6.750 0.000 . 1 . . . A 21 ASN HD21 . 17923 1 153 . 1 1 21 21 ASN HD22 H 1 7.717 0.000 . 1 . . . A 21 ASN HD22 . 17923 1 154 . 1 1 21 21 ASN N N 15 119.386 0.000 . 1 . . . A 21 ASN N . 17923 1 155 . 1 1 21 21 ASN ND2 N 15 113.321 0.000 . 1 . . . A 21 ASN ND2 . 17923 1 156 . 1 1 22 22 LYS H H 1 7.701 0.000 . 1 . . . A 22 LYS H . 17923 1 157 . 1 1 22 22 LYS HA H 1 3.993 0.000 . 1 . . . A 22 LYS HA . 17923 1 158 . 1 1 22 22 LYS HB2 H 1 1.990 0.000 . 1 . . . A 22 LYS HB2 . 17923 1 159 . 1 1 22 22 LYS HB3 H 1 1.946 0.000 . 1 . . . A 22 LYS HB3 . 17923 1 160 . 1 1 22 22 LYS HG2 H 1 1.861 0.000 . 2 . . . A 22 LYS HG2 . 17923 1 161 . 1 1 22 22 LYS HG3 H 1 1.152 0.000 . 2 . . . A 22 LYS HG3 . 17923 1 162 . 1 1 22 22 LYS HE2 H 1 3.527 0.000 . 1 . . . A 22 LYS HE2 . 17923 1 163 . 1 1 22 22 LYS HE3 H 1 3.527 0.000 . 1 . . . A 22 LYS HE3 . 17923 1 164 . 1 1 22 22 LYS N N 15 116.550 0.000 . 1 . . . A 22 LYS N . 17923 1 165 . 1 1 23 23 HIS H H 1 8.658 0.000 . 1 . . . A 23 HIS H . 17923 1 166 . 1 1 23 23 HIS HA H 1 4.122 0.000 . 1 . . . A 23 HIS HA . 17923 1 167 . 1 1 23 23 HIS HB2 H 1 3.666 0.000 . 1 . . . A 23 HIS HB2 . 17923 1 168 . 1 1 23 23 HIS HB3 H 1 3.465 0.000 . 1 . . . A 23 HIS HB3 . 17923 1 169 . 1 1 23 23 HIS HD2 H 1 7.005 0.000 . 1 . . . A 23 HIS HD2 . 17923 1 170 . 1 1 23 23 HIS N N 15 119.716 0.000 . 1 . . . A 23 HIS N . 17923 1 171 . 1 1 24 24 CYS H H 1 9.086 0.000 . 1 . . . A 24 CYS H . 17923 1 172 . 1 1 24 24 CYS HA H 1 4.100 0.000 . 1 . . . A 24 CYS HA . 17923 1 173 . 1 1 24 24 CYS HB2 H 1 2.660 0.000 . 1 . . . A 24 CYS HB2 . 17923 1 174 . 1 1 24 24 CYS HB3 H 1 2.568 0.000 . 1 . . . A 24 CYS HB3 . 17923 1 175 . 1 1 24 24 CYS N N 15 118.005 0.000 . 1 . . . A 24 CYS N . 17923 1 176 . 1 1 25 25 LYS H H 1 7.943 0.000 . 1 . . . A 25 LYS H . 17923 1 177 . 1 1 25 25 LYS HA H 1 4.275 0.000 . 1 . . . A 25 LYS HA . 17923 1 178 . 1 1 25 25 LYS HB2 H 1 1.847 0.000 . 1 . . . A 25 LYS HB2 . 17923 1 179 . 1 1 25 25 LYS HB3 H 1 1.670 0.000 . 1 . . . A 25 LYS HB3 . 17923 1 180 . 1 1 25 25 LYS HG2 H 1 1.248 0.000 . 1 . . . A 25 LYS HG2 . 17923 1 181 . 1 1 25 25 LYS HG3 H 1 1.518 0.000 . 1 . . . A 25 LYS HG3 . 17923 1 182 . 1 1 25 25 LYS HD2 H 1 1.590 0.000 . 1 . . . A 25 LYS HD2 . 17923 1 183 . 1 1 25 25 LYS HE2 H 1 3.072 0.000 . 1 . . . A 25 LYS HE2 . 17923 1 184 . 1 1 25 25 LYS HE3 H 1 3.072 0.000 . 1 . . . A 25 LYS HE3 . 17923 1 185 . 1 1 25 25 LYS CB C 13 31.118 0.000 . 1 . . . A 25 LYS CB . 17923 1 186 . 1 1 25 25 LYS CG C 13 22.248 0.000 . 1 . . . A 25 LYS CG . 17923 1 187 . 1 1 25 25 LYS CD C 13 25.863 0.000 . 1 . . . A 25 LYS CD . 17923 1 188 . 1 1 25 25 LYS N N 15 116.560 0.000 . 1 . . . A 25 LYS N . 17923 1 189 . 1 1 26 26 GLU H H 1 8.958 0.000 . 1 . . . A 26 GLU H . 17923 1 190 . 1 1 26 26 GLU HA H 1 4.120 0.000 . 1 . . . A 26 GLU HA . 17923 1 191 . 1 1 26 26 GLU HB2 H 1 2.065 0.000 . 1 . . . A 26 GLU HB2 . 17923 1 192 . 1 1 26 26 GLU HB3 H 1 2.024 0.000 . 1 . . . A 26 GLU HB3 . 17923 1 193 . 1 1 26 26 GLU HG2 H 1 2.254 0.000 . 1 . . . A 26 GLU HG2 . 17923 1 194 . 1 1 26 26 GLU HG3 H 1 2.490 0.000 . 1 . . . A 26 GLU HG3 . 17923 1 195 . 1 1 26 26 GLU CB C 13 27.742 0.000 . 1 . . . A 26 GLU CB . 17923 1 196 . 1 1 26 26 GLU CG C 13 34.031 0.000 . 1 . . . A 26 GLU CG . 17923 1 197 . 1 1 26 26 GLU N N 15 116.549 0.000 . 1 . . . A 26 GLU N . 17923 1 198 . 1 1 27 27 LYS H H 1 7.892 0.000 . 1 . . . A 27 LYS H . 17923 1 199 . 1 1 27 27 LYS HA H 1 4.325 0.000 . 1 . . . A 27 LYS HA . 17923 1 200 . 1 1 27 27 LYS HB2 H 1 1.296 0.000 . 1 . . . A 27 LYS HB2 . 17923 1 201 . 1 1 27 27 LYS HB3 H 1 1.513 0.000 . 1 . . . A 27 LYS HB3 . 17923 1 202 . 1 1 27 27 LYS HG2 H 1 1.441 0.000 . 1 . . . A 27 LYS HG2 . 17923 1 203 . 1 1 27 27 LYS HG3 H 1 1.395 0.000 . 1 . . . A 27 LYS HG3 . 17923 1 204 . 1 1 27 27 LYS HD2 H 1 1.593 0.000 . 1 . . . A 27 LYS HD2 . 17923 1 205 . 1 1 27 27 LYS HD3 H 1 1.593 0.000 . 1 . . . A 27 LYS HD3 . 17923 1 206 . 1 1 27 27 LYS HE2 H 1 3.000 0.000 . 1 . . . A 27 LYS HE2 . 17923 1 207 . 1 1 27 27 LYS HE3 H 1 3.000 0.000 . 1 . . . A 27 LYS HE3 . 17923 1 208 . 1 1 27 27 LYS CB C 13 31.177 0.000 . 1 . . . A 27 LYS CB . 17923 1 209 . 1 1 27 27 LYS CG C 13 22.094 0.000 . 1 . . . A 27 LYS CG . 17923 1 210 . 1 1 27 27 LYS CD C 13 25.635 0.000 . 1 . . . A 27 LYS CD . 17923 1 211 . 1 1 28 28 GLU H H 1 6.973 0.000 . 1 . . . A 28 GLU H . 17923 1 212 . 1 1 28 28 GLU HA H 1 4.317 0.000 . 1 . . . A 28 GLU HA . 17923 1 213 . 1 1 28 28 GLU HB2 H 1 2.281 0.000 . 1 . . . A 28 GLU HB2 . 17923 1 214 . 1 1 28 28 GLU HB3 H 1 2.306 0.000 . 1 . . . A 28 GLU HB3 . 17923 1 215 . 1 1 28 28 GLU HG2 H 1 2.060 0.000 . 1 . . . A 28 GLU HG2 . 17923 1 216 . 1 1 28 28 GLU HG3 H 1 2.060 0.000 . 1 . . . A 28 GLU HG3 . 17923 1 217 . 1 1 28 28 GLU N N 15 113.759 0.000 . 1 . . . A 28 GLU N . 17923 1 218 . 1 1 29 29 HIS H H 1 6.517 0.000 . 1 . . . A 29 HIS H . 17923 1 219 . 1 1 29 29 HIS HA H 1 4.635 0.000 . 1 . . . A 29 HIS HA . 17923 1 220 . 1 1 29 29 HIS HB2 H 1 3.561 0.000 . 1 . . . A 29 HIS HB2 . 17923 1 221 . 1 1 29 29 HIS HB3 H 1 3.427 0.000 . 1 . . . A 29 HIS HB3 . 17923 1 222 . 1 1 29 29 HIS CB C 13 33.155 0.000 . 1 . . . A 29 HIS CB . 17923 1 223 . 1 1 29 29 HIS N N 15 110.945 0.000 . 1 . . . A 29 HIS N . 17923 1 224 . 1 1 30 30 LEU H H 1 8.629 0.000 . 1 . . . A 30 LEU H . 17923 1 225 . 1 1 30 30 LEU HA H 1 4.955 0.000 . 1 . . . A 30 LEU HA . 17923 1 226 . 1 1 30 30 LEU HB2 H 1 1.955 0.000 . 1 . . . A 30 LEU HB2 . 17923 1 227 . 1 1 30 30 LEU HB3 H 1 1.459 0.000 . 1 . . . A 30 LEU HB3 . 17923 1 228 . 1 1 30 30 LEU HG H 1 1.771 0.000 . 1 . . . A 30 LEU HG . 17923 1 229 . 1 1 30 30 LEU HD11 H 1 0.962 0.000 . 1 . . . A 30 LEU HD11 . 17923 1 230 . 1 1 30 30 LEU HD12 H 1 0.962 0.000 . 1 . . . A 30 LEU HD12 . 17923 1 231 . 1 1 30 30 LEU HD13 H 1 0.962 0.000 . 1 . . . A 30 LEU HD13 . 17923 1 232 . 1 1 30 30 LEU HD21 H 1 0.963 0.000 . 1 . . . A 30 LEU HD21 . 17923 1 233 . 1 1 30 30 LEU HD22 H 1 0.963 0.000 . 1 . . . A 30 LEU HD22 . 17923 1 234 . 1 1 30 30 LEU HD23 H 1 0.963 0.000 . 1 . . . A 30 LEU HD23 . 17923 1 235 . 1 1 30 30 LEU CB C 13 37.672 0.000 . 1 . . . A 30 LEU CB . 17923 1 236 . 1 1 30 30 LEU CG C 13 23.537 0.000 . 1 . . . A 30 LEU CG . 17923 1 237 . 1 1 30 30 LEU N N 15 119.915 0.000 . 1 . . . A 30 LEU N . 17923 1 238 . 1 1 31 31 LEU H H 1 8.197 0.000 . 1 . . . A 31 LEU H . 17923 1 239 . 1 1 31 31 LEU HA H 1 4.194 0.000 . 1 . . . A 31 LEU HA . 17923 1 240 . 1 1 31 31 LEU HB2 H 1 1.640 0.000 . 1 . . . A 31 LEU HB2 . 17923 1 241 . 1 1 31 31 LEU HB3 H 1 1.455 0.000 . 1 . . . A 31 LEU HB3 . 17923 1 242 . 1 1 31 31 LEU HG H 1 1.727 0.000 . 1 . . . A 31 LEU HG . 17923 1 243 . 1 1 31 31 LEU HD11 H 1 0.801 0.000 . 1 . . . A 31 LEU HD11 . 17923 1 244 . 1 1 31 31 LEU HD12 H 1 0.801 0.000 . 1 . . . A 31 LEU HD12 . 17923 1 245 . 1 1 31 31 LEU HD13 H 1 0.801 0.000 . 1 . . . A 31 LEU HD13 . 17923 1 246 . 1 1 31 31 LEU HD21 H 1 0.885 0.000 . 1 . . . A 31 LEU HD21 . 17923 1 247 . 1 1 31 31 LEU HD22 H 1 0.885 0.000 . 1 . . . A 31 LEU HD22 . 17923 1 248 . 1 1 31 31 LEU HD23 H 1 0.885 0.000 . 1 . . . A 31 LEU HD23 . 17923 1 249 . 1 1 31 31 LEU CB C 13 40.311 0.000 . 1 . . . A 31 LEU CB . 17923 1 250 . 1 1 31 31 LEU CG C 13 24.352 0.000 . 1 . . . A 31 LEU CG . 17923 1 251 . 1 1 31 31 LEU CD1 C 13 22.911 0.000 . 1 . . . A 31 LEU CD1 . 17923 1 252 . 1 1 31 31 LEU CD2 C 13 19.897 0.000 . 1 . . . A 31 LEU CD2 . 17923 1 253 . 1 1 31 31 LEU N N 15 116.117 0.000 . 1 . . . A 31 LEU N . 17923 1 254 . 1 1 32 32 SER H H 1 7.539 0.000 . 1 . . . A 32 SER H . 17923 1 255 . 1 1 32 32 SER HA H 1 4.563 0.000 . 1 . . . A 32 SER HA . 17923 1 256 . 1 1 32 32 SER HB2 H 1 4.143 0.000 . 1 . . . A 32 SER HB2 . 17923 1 257 . 1 1 32 32 SER HB3 H 1 4.017 0.000 . 1 . . . A 32 SER HB3 . 17923 1 258 . 1 1 32 32 SER HG H 1 5.010 0.000 . 1 . . . A 32 SER HG . 17923 1 259 . 1 1 32 32 SER CB C 13 60.912 0.000 . 1 . . . A 32 SER CB . 17923 1 260 . 1 1 32 32 SER N N 15 105.655 0.000 . 1 . . . A 32 SER N . 17923 1 261 . 1 1 33 33 GLY H H 1 9.233 0.000 . 1 . . . A 33 GLY H . 17923 1 262 . 1 1 33 33 GLY HA2 H 1 5.327 0.000 . 2 . . . A 33 GLY HA2 . 17923 1 263 . 1 1 33 33 GLY HA3 H 1 4.128 0.000 . 2 . . . A 33 GLY HA3 . 17923 1 264 . 1 1 33 33 GLY N N 15 108.435 0.000 . 1 . . . A 33 GLY N . 17923 1 265 . 1 1 34 34 ARG H H 1 8.861 0.000 . 1 . . . A 34 ARG H . 17923 1 266 . 1 1 34 34 ARG HA H 1 4.673 0.000 . 1 . . . A 34 ARG HA . 17923 1 267 . 1 1 34 34 ARG HB2 H 1 1.941 0.000 . 1 . . . A 34 ARG HB2 . 17923 1 268 . 1 1 34 34 ARG HB3 H 1 1.729 0.000 . 1 . . . A 34 ARG HB3 . 17923 1 269 . 1 1 34 34 ARG HG2 H 1 1.649 0.000 . 1 . . . A 34 ARG HG2 . 17923 1 270 . 1 1 34 34 ARG HG3 H 1 1.268 0.000 . 1 . . . A 34 ARG HG3 . 17923 1 271 . 1 1 34 34 ARG HD2 H 1 2.858 0.000 . 1 . . . A 34 ARG HD2 . 17923 1 272 . 1 1 34 34 ARG HD3 H 1 2.858 0.000 . 1 . . . A 34 ARG HD3 . 17923 1 273 . 1 1 34 34 ARG HE H 1 8.819 0.000 . 1 . . . A 34 ARG HE . 17923 1 274 . 1 1 34 34 ARG CB C 13 29.954 0.000 . 1 . . . A 34 ARG CB . 17923 1 275 . 1 1 34 34 ARG CG C 13 25.479 0.000 . 1 . . . A 34 ARG CG . 17923 1 276 . 1 1 34 34 ARG N N 15 116.286 0.000 . 1 . . . A 34 ARG N . 17923 1 277 . 1 1 34 34 ARG NE N 15 86.947 0.000 . 1 . . . A 34 ARG NE . 17923 1 278 . 1 1 35 35 CYS H H 1 8.731 0.000 . 1 . . . A 35 CYS H . 17923 1 279 . 1 1 35 35 CYS HA H 1 5.635 0.000 . 1 . . . A 35 CYS HA . 17923 1 280 . 1 1 35 35 CYS HB2 H 1 2.978 0.000 . 1 . . . A 35 CYS HB2 . 17923 1 281 . 1 1 35 35 CYS HB3 H 1 2.615 0.000 . 1 . . . A 35 CYS HB3 . 17923 1 282 . 1 1 35 35 CYS N N 15 120.945 0.000 . 1 . . . A 35 CYS N . 17923 1 283 . 1 1 36 36 ARG H H 1 7.902 0.000 . 1 . . . A 36 ARG H . 17923 1 284 . 1 1 36 36 ARG HA H 1 4.241 0.000 . 1 . . . A 36 ARG HA . 17923 1 285 . 1 1 36 36 ARG HB2 H 1 1.878 0.000 . 2 . . . A 36 ARG HB2 . 17923 1 286 . 1 1 36 36 ARG HB3 H 1 1.806 0.000 . 2 . . . A 36 ARG HB3 . 17923 1 287 . 1 1 36 36 ARG HG2 H 1 1.651 0.000 . 1 . . . A 36 ARG HG2 . 17923 1 288 . 1 1 36 36 ARG HG3 H 1 1.651 0.000 . 1 . . . A 36 ARG HG3 . 17923 1 289 . 1 1 36 36 ARG HD2 H 1 3.217 0.000 . 1 . . . A 36 ARG HD2 . 17923 1 290 . 1 1 36 36 ARG HD3 H 1 3.217 0.000 . 1 . . . A 36 ARG HD3 . 17923 1 291 . 1 1 36 36 ARG HE H 1 7.254 0.000 . 1 . . . A 36 ARG HE . 17923 1 292 . 1 1 36 36 ARG N N 15 121.634 0.000 . 1 . . . A 36 ARG N . 17923 1 293 . 1 1 36 36 ARG NE N 15 84.718 0.000 . 1 . . . A 36 ARG NE . 17923 1 294 . 1 1 37 37 ASP H H 1 8.274 0.000 . 1 . . . A 37 ASP H . 17923 1 295 . 1 1 37 37 ASP HA H 1 4.094 0.000 . 1 . . . A 37 ASP HA . 17923 1 296 . 1 1 37 37 ASP HB2 H 1 2.648 0.000 . 1 . . . A 37 ASP HB2 . 17923 1 297 . 1 1 37 37 ASP HB3 H 1 2.648 0.000 . 1 . . . A 37 ASP HB3 . 17923 1 298 . 1 1 37 37 ASP N N 15 120.202 0.000 . 1 . . . A 37 ASP N . 17923 1 299 . 1 1 38 38 ASP H H 1 7.964 0.000 . 1 . . . A 38 ASP H . 17923 1 300 . 1 1 38 38 ASP HA H 1 4.348 0.000 . 1 . . . A 38 ASP HA . 17923 1 301 . 1 1 38 38 ASP HB2 H 1 3.059 0.000 . 1 . . . A 38 ASP HB2 . 17923 1 302 . 1 1 38 38 ASP HB3 H 1 2.653 0.000 . 1 . . . A 38 ASP HB3 . 17923 1 303 . 1 1 38 38 ASP N N 15 116.558 0.000 . 1 . . . A 38 ASP N . 17923 1 304 . 1 1 39 39 PHE H H 1 8.379 0.000 . 1 . . . A 39 PHE H . 17923 1 305 . 1 1 39 39 PHE HA H 1 4.207 0.000 . 1 . . . A 39 PHE HA . 17923 1 306 . 1 1 39 39 PHE HB2 H 1 3.537 0.000 . 1 . . . A 39 PHE HB2 . 17923 1 307 . 1 1 39 39 PHE HB3 H 1 3.393 0.000 . 1 . . . A 39 PHE HB3 . 17923 1 308 . 1 1 39 39 PHE HD1 H 1 7.331 0.000 . 1 . . . A 39 PHE HD1 . 17923 1 309 . 1 1 39 39 PHE HD2 H 1 7.331 0.000 . 1 . . . A 39 PHE HD2 . 17923 1 310 . 1 1 39 39 PHE HE1 H 1 7.414 0.000 . 1 . . . A 39 PHE HE1 . 17923 1 311 . 1 1 39 39 PHE HE2 H 1 7.414 0.000 . 1 . . . A 39 PHE HE2 . 17923 1 312 . 1 1 39 39 PHE CB C 13 33.167 0.000 . 1 . . . A 39 PHE CB . 17923 1 313 . 1 1 39 39 PHE N N 15 113.098 0.000 . 1 . . . A 39 PHE N . 17923 1 314 . 1 1 40 40 ARG HA H 1 4.851 0.000 . 1 . . . A 40 ARG HA . 17923 1 315 . 1 1 40 40 ARG HB2 H 1 2.029 0.000 . 1 . . . A 40 ARG HB2 . 17923 1 316 . 1 1 40 40 ARG HB3 H 1 2.029 0.000 . 1 . . . A 40 ARG HB3 . 17923 1 317 . 1 1 40 40 ARG HG2 H 1 1.671 0.000 . 2 . . . A 40 ARG HG2 . 17923 1 318 . 1 1 40 40 ARG HG3 H 1 1.546 0.000 . 2 . . . A 40 ARG HG3 . 17923 1 319 . 1 1 40 40 ARG HD2 H 1 3.288 0.000 . 2 . . . A 40 ARG HD2 . 17923 1 320 . 1 1 40 40 ARG HD3 H 1 3.146 0.000 . 2 . . . A 40 ARG HD3 . 17923 1 321 . 1 1 40 40 ARG HE H 1 7.233 0.000 . 1 . . . A 40 ARG HE . 17923 1 322 . 1 1 40 40 ARG CB C 13 28.752 0.000 . 1 . . . A 40 ARG CB . 17923 1 323 . 1 1 40 40 ARG CD C 13 39.650 0.000 . 1 . . . A 40 ARG CD . 17923 1 324 . 1 1 40 40 ARG NE N 15 84.226 0.000 . 1 . . . A 40 ARG NE . 17923 1 325 . 1 1 41 41 CYS H H 1 8.886 0.000 . 1 . . . A 41 CYS H . 17923 1 326 . 1 1 41 41 CYS HA H 1 4.932 0.000 . 1 . . . A 41 CYS HA . 17923 1 327 . 1 1 41 41 CYS HB2 H 1 2.150 0.000 . 1 . . . A 41 CYS HB2 . 17923 1 328 . 1 1 41 41 CYS HB3 H 1 1.722 0.000 . 1 . . . A 41 CYS HB3 . 17923 1 329 . 1 1 41 41 CYS N N 15 119.460 0.000 . 1 . . . A 41 CYS N . 17923 1 330 . 1 1 42 42 TRP H H 1 9.030 0.000 . 1 . . . A 42 TRP H . 17923 1 331 . 1 1 42 42 TRP HA H 1 4.820 0.000 . 1 . . . A 42 TRP HA . 17923 1 332 . 1 1 42 42 TRP HB2 H 1 2.930 0.000 . 1 . . . A 42 TRP HB2 . 17923 1 333 . 1 1 42 42 TRP HB3 H 1 2.877 0.000 . 1 . . . A 42 TRP HB3 . 17923 1 334 . 1 1 42 42 TRP HD1 H 1 7.424 0.000 . 1 . . . A 42 TRP HD1 . 17923 1 335 . 1 1 42 42 TRP HE1 H 1 11.838 0.000 . 1 . . . A 42 TRP HE1 . 17923 1 336 . 1 1 42 42 TRP HE3 H 1 6.965 0.000 . 1 . . . A 42 TRP HE3 . 17923 1 337 . 1 1 42 42 TRP HZ2 H 1 7.509 0.000 . 1 . . . A 42 TRP HZ2 . 17923 1 338 . 1 1 42 42 TRP HZ3 H 1 7.139 0.000 . 1 . . . A 42 TRP HZ3 . 17923 1 339 . 1 1 42 42 TRP HH2 H 1 7.203 0.000 . 1 . . . A 42 TRP HH2 . 17923 1 340 . 1 1 42 42 TRP CB C 13 27.232 0.000 . 1 . . . A 42 TRP CB . 17923 1 341 . 1 1 42 42 TRP N N 15 130.061 0.000 . 1 . . . A 42 TRP N . 17923 1 342 . 1 1 43 43 CYS H H 1 9.171 0.000 . 1 . . . A 43 CYS H . 17923 1 343 . 1 1 43 43 CYS HA H 1 5.959 0.000 . 1 . . . A 43 CYS HA . 17923 1 344 . 1 1 43 43 CYS HB2 H 1 3.258 0.000 . 1 . . . A 43 CYS HB2 . 17923 1 345 . 1 1 43 43 CYS HB3 H 1 2.948 0.000 . 1 . . . A 43 CYS HB3 . 17923 1 346 . 1 1 43 43 CYS CA C 13 49.049 0.000 . 1 . . . A 43 CYS CA . 17923 1 347 . 1 1 43 43 CYS N N 15 120.326 0.000 . 1 . . . A 43 CYS N . 17923 1 348 . 1 1 44 44 THR H H 1 9.043 0.000 . 1 . . . A 44 THR H . 17923 1 349 . 1 1 44 44 THR HA H 1 5.262 0.000 . 1 . . . A 44 THR HA . 17923 1 350 . 1 1 44 44 THR HB H 1 4.068 0.000 . 1 . . . A 44 THR HB . 17923 1 351 . 1 1 44 44 THR HG21 H 1 1.139 0.000 . 1 . . . A 44 THR HG21 . 17923 1 352 . 1 1 44 44 THR HG22 H 1 1.139 0.000 . 1 . . . A 44 THR HG22 . 17923 1 353 . 1 1 44 44 THR HG23 H 1 1.139 0.000 . 1 . . . A 44 THR HG23 . 17923 1 354 . 1 1 44 44 THR CA C 13 60.314 0.000 . 1 . . . A 44 THR CA . 17923 1 355 . 1 1 44 44 THR CG2 C 13 18.601 0.000 . 1 . . . A 44 THR CG2 . 17923 1 356 . 1 1 44 44 THR N N 15 121.073 0.000 . 1 . . . A 44 THR N . 17923 1 357 . 1 1 45 45 ARG H H 1 9.265 0.000 . 1 . . . A 45 ARG H . 17923 1 358 . 1 1 45 45 ARG HA H 1 5.116 0.000 . 1 . . . A 45 ARG HA . 17923 1 359 . 1 1 45 45 ARG HB2 H 1 2.202 0.000 . 1 . . . A 45 ARG HB2 . 17923 1 360 . 1 1 45 45 ARG HB3 H 1 1.837 0.000 . 1 . . . A 45 ARG HB3 . 17923 1 361 . 1 1 45 45 ARG HG2 H 1 1.827 0.000 . 1 . . . A 45 ARG HG2 . 17923 1 362 . 1 1 45 45 ARG HG3 H 1 1.399 0.000 . 1 . . . A 45 ARG HG3 . 17923 1 363 . 1 1 45 45 ARG HD2 H 1 3.239 0.000 . 1 . . . A 45 ARG HD2 . 17923 1 364 . 1 1 45 45 ARG HD3 H 1 3.239 0.000 . 1 . . . A 45 ARG HD3 . 17923 1 365 . 1 1 45 45 ARG HE H 1 7.203 0.000 . 1 . . . A 45 ARG HE . 17923 1 366 . 1 1 45 45 ARG CB C 13 33.483 0.000 . 1 . . . A 45 ARG CB . 17923 1 367 . 1 1 45 45 ARG CG C 13 22.833 0.000 . 1 . . . A 45 ARG CG . 17923 1 368 . 1 1 45 45 ARG CD C 13 40.767 0.000 . 1 . . . A 45 ARG CD . 17923 1 369 . 1 1 45 45 ARG N N 15 122.974 0.000 . 1 . . . A 45 ARG N . 17923 1 370 . 1 1 45 45 ARG NE N 15 84.880 0.000 . 1 . . . A 45 ARG NE . 17923 1 371 . 1 1 46 46 ASN H H 1 8.995 0.000 . 1 . . . A 46 ASN H . 17923 1 372 . 1 1 46 46 ASN HA H 1 5.095 0.000 . 1 . . . A 46 ASN HA . 17923 1 373 . 1 1 46 46 ASN HB2 H 1 2.903 0.000 . 1 . . . A 46 ASN HB2 . 17923 1 374 . 1 1 46 46 ASN HB3 H 1 2.710 0.000 . 1 . . . A 46 ASN HB3 . 17923 1 375 . 1 1 46 46 ASN HD21 H 1 7.601 0.000 . 2 . . . A 46 ASN HD21 . 17923 1 376 . 1 1 46 46 ASN HD22 H 1 6.998 0.000 . 2 . . . A 46 ASN HD22 . 17923 1 377 . 1 1 46 46 ASN CB C 13 36.360 0.000 . 1 . . . A 46 ASN CB . 17923 1 378 . 1 1 46 46 ASN N N 15 120.309 0.000 . 1 . . . A 46 ASN N . 17923 1 379 . 1 1 46 46 ASN ND2 N 15 113.236 0.000 . 1 . . . A 46 ASN ND2 . 17923 1 380 . 1 1 47 47 CYS H H 1 8.422 0.000 . 1 . . . A 47 CYS H . 17923 1 381 . 1 1 47 47 CYS HA H 1 4.676 0.000 . 1 . . . A 47 CYS HA . 17923 1 382 . 1 1 47 47 CYS HB2 H 1 3.342 0.000 . 1 . . . A 47 CYS HB2 . 17923 1 383 . 1 1 47 47 CYS HB3 H 1 3.234 0.000 . 1 . . . A 47 CYS HB3 . 17923 1 384 . 1 1 47 47 CYS CB C 13 40.698 0.000 . 1 . . . A 47 CYS CB . 17923 1 385 . 1 1 47 47 CYS N N 15 125.059 0.000 . 1 . . . A 47 CYS N . 17923 1 stop_ save_