data_36040 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36040 _Entry.Title ; Morintides mO1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-12-21 _Entry.Accession_date 2016-02-17 _Entry.Last_release_date 2017-02-16 _Entry.Original_release_date 2017-02-16 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1.1.99 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_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 T. Xiao T. . . . 36040 2 J. Tam J. P. . . 36040 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Moringa oleifera' . 36040 'UNKNOWN FUNCTION' . 36040 'cysteine rich peptide' . 36040 'disulphide bond' . 36040 'nature product' . 36040 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36040 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 210 36040 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 . . 2019-01-09 . original BMRB . 36040 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5WUZ 'BMRB Entry Tracking System' 36040 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36040 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1186/s12870-017-1014-6 _Citation.PubMed_ID 28359256 _Citation.Full_citation . _Citation.Title ; Morintides: cargo-free chitin-binding peptides from Moringa oleifera. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'BMC Plant Biol.' _Citation.Journal_name_full 'BMC plant biology' _Citation.Journal_volume 17 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 68 _Citation.Page_last 68 _Citation.Year 2017 _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 S. Kini S. G. . . 36040 1 2 K. Wong K. H. . . 36040 1 3 W. Tan W. L. . . 36040 1 4 T. Xiao T. . . . 36040 1 5 J. Tam J. P. . . 36040 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36040 _Assembly.ID 1 _Assembly.Name 'Morintide mO1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 36040 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 entity_1 1 CYS 3 3 SG . 1 entity_1 1 CYS 18 18 SG . . . 3 CYS . . . . 18 CYS . 36040 1 2 disulfide single . 1 entity_1 1 CYS 12 12 SG . 1 entity_1 1 CYS 24 24 SG . . . 12 CYS . . . . 24 CYS . 36040 1 3 disulfide single . 1 entity_1 1 CYS 17 17 SG . 1 entity_1 1 CYS 31 31 SG . . . 17 CYS . . . . 31 CYS . 36040 1 4 disulfide single . 1 entity_1 1 CYS 37 37 SG . 1 entity_1 1 CYS 41 41 SG . . . 37 CYS . . . . 41 CYS . 36040 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 . 1 1 CYS 3 3 HG . 3 . . 36040 1 2 . 1 1 CYS 12 12 HG . 12 . . 36040 1 3 . 1 1 CYS 17 17 HG . 17 . . 36040 1 4 . 1 1 CYS 18 18 HG . 18 . . 36040 1 5 . 1 1 CYS 24 24 HG . 24 . . 36040 1 6 . 1 1 CYS 31 31 HG . 31 . . 36040 1 7 . 1 1 CYS 37 37 HG . 37 . . 36040 1 8 . 1 1 CYS 41 41 HG . 41 . . 36040 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36040 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; QNCGRQAGNRACANQLCCSQ YGFCGSTSEYCSRANGCQSN CRG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 43 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method nat _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4561.999 _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 GLN . 36040 1 2 2 ASN . 36040 1 3 3 CYS . 36040 1 4 4 GLY . 36040 1 5 5 ARG . 36040 1 6 6 GLN . 36040 1 7 7 ALA . 36040 1 8 8 GLY . 36040 1 9 9 ASN . 36040 1 10 10 ARG . 36040 1 11 11 ALA . 36040 1 12 12 CYS . 36040 1 13 13 ALA . 36040 1 14 14 ASN . 36040 1 15 15 GLN . 36040 1 16 16 LEU . 36040 1 17 17 CYS . 36040 1 18 18 CYS . 36040 1 19 19 SER . 36040 1 20 20 GLN . 36040 1 21 21 TYR . 36040 1 22 22 GLY . 36040 1 23 23 PHE . 36040 1 24 24 CYS . 36040 1 25 25 GLY . 36040 1 26 26 SER . 36040 1 27 27 THR . 36040 1 28 28 SER . 36040 1 29 29 GLU . 36040 1 30 30 TYR . 36040 1 31 31 CYS . 36040 1 32 32 SER . 36040 1 33 33 ARG . 36040 1 34 34 ALA . 36040 1 35 35 ASN . 36040 1 36 36 GLY . 36040 1 37 37 CYS . 36040 1 38 38 GLN . 36040 1 39 39 SER . 36040 1 40 40 ASN . 36040 1 41 41 CYS . 36040 1 42 42 ARG . 36040 1 43 43 GLY . 36040 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 . GLN 1 1 36040 1 . ASN 2 2 36040 1 . CYS 3 3 36040 1 . GLY 4 4 36040 1 . ARG 5 5 36040 1 . GLN 6 6 36040 1 . ALA 7 7 36040 1 . GLY 8 8 36040 1 . ASN 9 9 36040 1 . ARG 10 10 36040 1 . ALA 11 11 36040 1 . CYS 12 12 36040 1 . ALA 13 13 36040 1 . ASN 14 14 36040 1 . GLN 15 15 36040 1 . LEU 16 16 36040 1 . CYS 17 17 36040 1 . CYS 18 18 36040 1 . SER 19 19 36040 1 . GLN 20 20 36040 1 . TYR 21 21 36040 1 . GLY 22 22 36040 1 . PHE 23 23 36040 1 . CYS 24 24 36040 1 . GLY 25 25 36040 1 . SER 26 26 36040 1 . THR 27 27 36040 1 . SER 28 28 36040 1 . GLU 29 29 36040 1 . TYR 30 30 36040 1 . CYS 31 31 36040 1 . SER 32 32 36040 1 . ARG 33 33 36040 1 . ALA 34 34 36040 1 . ASN 35 35 36040 1 . GLY 36 36 36040 1 . CYS 37 37 36040 1 . GLN 38 38 36040 1 . SER 39 39 36040 1 . ASN 40 40 36040 1 . CYS 41 41 36040 1 . ARG 42 42 36040 1 . GLY 43 43 36040 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 36040 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 3735 organism . 'Moringa oleifera' 'Moringa oleifera' . . Eukaryota Viridiplantae Moringa oleifera . . . . . . . . . . . . . 36040 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 36040 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . . . . . . . . . . . . . . . . . . 36040 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36040 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM Morintide mO1, 55.55 M H2O, 2.92 M [U-100% 2H] D2O, 0.01 % TFA, 0.3 mM sodium chloride, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Morintide mO1' 'natural abundance' 1 $assembly 1 $entity_1 . protein 1 . . mM . . . . 36040 1 2 TFA 'natural abundance' . . . . . . 0.01 . . % . . . . 36040 1 3 'sodium chloride' 'natural abundance' . . . . . salt 0.3 . . mM . . . . 36040 1 4 H2O 'natural abundance' . . . . . solvent 55.55 . . M . . . . 36040 1 5 D2O '[U-100% 2H]' . . . . . solvent 2.92 . . M . . . . 36040 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 36040 _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' 0.3 . mM 36040 1 pH 3.5 . pH 36040 1 pressure 1 . atm 36040 1 temperature 298 . K 36040 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36040 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 36040 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 36040 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36040 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36040 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 36040 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36040 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 36040 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 36040 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36040 _Software.ID 4 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 36040 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 36040 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 36040 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceII _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 36040 _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 NMR_spectrometer_1 Bruker AvanceII . 600 . . . 36040 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 36040 _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 NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36040 1 2 '2D TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36040 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 36040 _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 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36040 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36040 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D NOESY' 1 $sample_1 isotropic 36040 1 2 '2D TOCSY' 1 $sample_1 isotropic 36040 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLN HA H 1 4.385 0.000 . 1 . . . . A 1 GLN HA . 36040 1 2 . 1 1 1 1 GLN HB2 H 1 1.654 0.000 . . . . . . A 1 GLN HB2 . 36040 1 3 . 1 1 1 1 GLN HB3 H 1 1.654 0.000 . . . . . . A 1 GLN HB3 . 36040 1 4 . 1 1 1 1 GLN HG2 H 1 2.294 0.000 . . . . . . A 1 GLN HG2 . 36040 1 5 . 1 1 1 1 GLN HG3 H 1 2.294 0.000 . . . . . . A 1 GLN HG3 . 36040 1 6 . 1 1 2 2 ASN H H 1 8.538 0.001 . 1 . . . . A 2 ASN H . 36040 1 7 . 1 1 2 2 ASN HA H 1 4.680 0.001 . 1 . . . . A 2 ASN HA . 36040 1 8 . 1 1 2 2 ASN HB2 H 1 2.829 0.009 . . . . . . A 2 ASN HB2 . 36040 1 9 . 1 1 2 2 ASN HB3 H 1 2.719 0.000 . . . . . . A 2 ASN HB3 . 36040 1 10 . 1 1 3 3 CYS H H 1 8.136 0.002 . 1 . . . . A 3 CYS H . 36040 1 11 . 1 1 3 3 CYS HA H 1 4.762 0.001 . 1 . . . . A 3 CYS HA . 36040 1 12 . 1 1 3 3 CYS HB2 H 1 2.998 0.008 . . . . . . A 3 CYS HB2 . 36040 1 13 . 1 1 3 3 CYS HB3 H 1 2.719 0.002 . . . . . . A 3 CYS HB3 . 36040 1 14 . 1 1 4 4 GLY H H 1 8.303 0.000 . 1 . . . . A 4 GLY H . 36040 1 15 . 1 1 4 4 GLY HA2 H 1 3.861 0.003 . . . . . . A 4 GLY HA2 . 36040 1 16 . 1 1 4 4 GLY HA3 H 1 3.661 0.003 . . . . . . A 4 GLY HA3 . 36040 1 17 . 1 1 5 5 ARG H H 1 9.549 0.001 . 1 . . . . A 5 ARG H . 36040 1 18 . 1 1 5 5 ARG HA H 1 4.048 0.001 . 1 . . . . A 5 ARG HA . 36040 1 19 . 1 1 5 5 ARG HB2 H 1 1.821 0.001 . . . . . . A 5 ARG HB2 . 36040 1 20 . 1 1 5 5 ARG HB3 H 1 1.745 0.005 . . . . . . A 5 ARG HB3 . 36040 1 21 . 1 1 5 5 ARG HG2 H 1 1.665 0.002 . . . . . . A 5 ARG HG2 . 36040 1 22 . 1 1 5 5 ARG HG3 H 1 1.390 0.003 . . . . . . A 5 ARG HG3 . 36040 1 23 . 1 1 6 6 GLN H H 1 9.017 0.001 . 1 . . . . A 6 GLN H . 36040 1 24 . 1 1 6 6 GLN HA H 1 4.075 0.001 . 1 . . . . A 6 GLN HA . 36040 1 25 . 1 1 6 6 GLN HB2 H 1 1.975 0.005 . . . . . . A 6 GLN HB2 . 36040 1 26 . 1 1 6 6 GLN HB3 H 1 1.943 0.002 . . . . . . A 6 GLN HB3 . 36040 1 27 . 1 1 6 6 GLN HG2 H 1 2.671 0.002 . . . . . . A 6 GLN HG2 . 36040 1 28 . 1 1 6 6 GLN HG3 H 1 2.370 0.001 . . . . . . A 6 GLN HG3 . 36040 1 29 . 1 1 6 6 GLN HE21 H 1 7.616 0.004 . . . . . . A 6 GLN HE21 . 36040 1 30 . 1 1 6 6 GLN HE22 H 1 6.577 0.002 . . . . . . A 6 GLN HE22 . 36040 1 31 . 1 1 7 7 ALA H H 1 7.774 0.001 . 1 . . . . A 7 ALA H . 36040 1 32 . 1 1 7 7 ALA HA H 1 4.528 0.001 . 1 . . . . A 7 ALA HA . 36040 1 33 . 1 1 7 7 ALA HB1 H 1 0.748 0.001 . 1 . . . . A 7 ALA HB1 . 36040 1 34 . 1 1 7 7 ALA HB2 H 1 0.748 0.001 . 1 . . . . A 7 ALA HB2 . 36040 1 35 . 1 1 7 7 ALA HB3 H 1 0.748 0.001 . 1 . . . . A 7 ALA HB3 . 36040 1 36 . 1 1 8 8 GLY H H 1 8.278 0.001 . 1 . . . . A 8 GLY H . 36040 1 37 . 1 1 8 8 GLY HA2 H 1 3.736 0.003 . . . . . . A 8 GLY HA2 . 36040 1 38 . 1 1 8 8 GLY HA3 H 1 3.669 0.000 . . . . . . A 8 GLY HA3 . 36040 1 39 . 1 1 9 9 ASN H H 1 8.243 0.006 . 1 . . . . A 9 ASN H . 36040 1 40 . 1 1 9 9 ASN HA H 1 3.661 0.006 . 1 . . . . A 9 ASN HA . 36040 1 41 . 1 1 9 9 ASN HB2 H 1 2.938 0.000 . . . . . . A 9 ASN HB2 . 36040 1 42 . 1 1 9 9 ASN HB3 H 1 2.885 0.000 . . . . . . A 9 ASN HB3 . 36040 1 43 . 1 1 10 10 ARG H H 1 6.997 0.001 . 1 . . . . A 10 ARG H . 36040 1 44 . 1 1 10 10 ARG HA H 1 4.142 0.002 . 1 . . . . A 10 ARG HA . 36040 1 45 . 1 1 10 10 ARG HB2 H 1 1.788 0.001 . . . . . . A 10 ARG HB2 . 36040 1 46 . 1 1 10 10 ARG HB3 H 1 1.788 0.001 . . . . . . A 10 ARG HB3 . 36040 1 47 . 1 1 10 10 ARG HG2 H 1 1.722 0.005 . . . . . . A 10 ARG HG2 . 36040 1 48 . 1 1 10 10 ARG HG3 H 1 1.722 0.005 . . . . . . A 10 ARG HG3 . 36040 1 49 . 1 1 10 10 ARG HD2 H 1 3.219 0.000 . . . . . . A 10 ARG HD2 . 36040 1 50 . 1 1 10 10 ARG HD3 H 1 3.165 0.000 . . . . . . A 10 ARG HD3 . 36040 1 51 . 1 1 11 11 ALA H H 1 8.690 0.001 . 1 . . . . A 11 ALA H . 36040 1 52 . 1 1 11 11 ALA HA H 1 4.419 0.002 . 1 . . . . A 11 ALA HA . 36040 1 53 . 1 1 11 11 ALA HB1 H 1 1.393 0.002 . 1 . . . . A 11 ALA HB1 . 36040 1 54 . 1 1 11 11 ALA HB2 H 1 1.393 0.002 . 1 . . . . A 11 ALA HB2 . 36040 1 55 . 1 1 11 11 ALA HB3 H 1 1.393 0.002 . 1 . . . . A 11 ALA HB3 . 36040 1 56 . 1 1 12 12 CYS H H 1 8.875 0.000 . 1 . . . . A 12 CYS H . 36040 1 57 . 1 1 12 12 CYS HA H 1 4.399 0.002 . 1 . . . . A 12 CYS HA . 36040 1 58 . 1 1 12 12 CYS HB2 H 1 2.921 0.001 . . . . . . A 12 CYS HB2 . 36040 1 59 . 1 1 12 12 CYS HB3 H 1 2.921 0.001 . . . . . . A 12 CYS HB3 . 36040 1 60 . 1 1 13 13 ALA H H 1 8.619 0.001 . 1 . . . . A 13 ALA H . 36040 1 61 . 1 1 13 13 ALA HA H 1 4.280 0.003 . 1 . . . . A 13 ALA HA . 36040 1 62 . 1 1 13 13 ALA HB1 H 1 1.368 0.002 . 1 . . . . A 13 ALA HB1 . 36040 1 63 . 1 1 13 13 ALA HB2 H 1 1.368 0.002 . 1 . . . . A 13 ALA HB2 . 36040 1 64 . 1 1 13 13 ALA HB3 H 1 1.368 0.002 . 1 . . . . A 13 ALA HB3 . 36040 1 65 . 1 1 14 14 ASN H H 1 8.656 0.000 . 1 . . . . A 14 ASN H . 36040 1 66 . 1 1 14 14 ASN HA H 1 4.321 0.000 . 1 . . . . A 14 ASN HA . 36040 1 67 . 1 1 14 14 ASN HB2 H 1 2.888 0.003 . . . . . . A 14 ASN HB2 . 36040 1 68 . 1 1 14 14 ASN HB3 H 1 2.754 0.001 . . . . . . A 14 ASN HB3 . 36040 1 69 . 1 1 15 15 GLN H H 1 8.342 0.001 . 1 . . . . A 15 GLN H . 36040 1 70 . 1 1 15 15 GLN HA H 1 3.717 0.001 . 1 . . . . A 15 GLN HA . 36040 1 71 . 1 1 15 15 GLN HB2 H 1 2.146 0.000 . . . . . . A 15 GLN HB2 . 36040 1 72 . 1 1 15 15 GLN HB3 H 1 2.146 0.000 . . . . . . A 15 GLN HB3 . 36040 1 73 . 1 1 15 15 GLN HG2 H 1 2.250 0.000 . . . . . . A 15 GLN HG2 . 36040 1 74 . 1 1 15 15 GLN HG3 H 1 2.209 0.000 . . . . . . A 15 GLN HG3 . 36040 1 75 . 1 1 16 16 LEU H H 1 7.162 0.001 . 1 . . . . A 16 LEU H . 36040 1 76 . 1 1 16 16 LEU HA H 1 4.271 0.003 . 1 . . . . A 16 LEU HA . 36040 1 77 . 1 1 16 16 LEU HB2 H 1 1.710 0.004 . . . . . . A 16 LEU HB2 . 36040 1 78 . 1 1 16 16 LEU HB3 H 1 1.710 0.004 . . . . . . A 16 LEU HB3 . 36040 1 79 . 1 1 16 16 LEU HG H 1 1.467 0.002 . 1 . . . . A 16 LEU HG . 36040 1 80 . 1 1 16 16 LEU HD11 H 1 0.772 0.001 . . . . . . A 16 LEU HD11 . 36040 1 81 . 1 1 16 16 LEU HD12 H 1 0.772 0.001 . . . . . . A 16 LEU HD12 . 36040 1 82 . 1 1 16 16 LEU HD13 H 1 0.772 0.001 . . . . . . A 16 LEU HD13 . 36040 1 83 . 1 1 16 16 LEU HD21 H 1 0.662 0.002 . . . . . . A 16 LEU HD21 . 36040 1 84 . 1 1 16 16 LEU HD22 H 1 0.662 0.002 . . . . . . A 16 LEU HD22 . 36040 1 85 . 1 1 16 16 LEU HD23 H 1 0.662 0.002 . . . . . . A 16 LEU HD23 . 36040 1 86 . 1 1 17 17 CYS H H 1 8.343 0.001 . 1 . . . . A 17 CYS H . 36040 1 87 . 1 1 17 17 CYS HA H 1 4.592 0.001 . 1 . . . . A 17 CYS HA . 36040 1 88 . 1 1 17 17 CYS HB2 H 1 4.095 0.005 . . . . . . A 17 CYS HB2 . 36040 1 89 . 1 1 17 17 CYS HB3 H 1 2.707 0.003 . . . . . . A 17 CYS HB3 . 36040 1 90 . 1 1 18 18 CYS H H 1 8.045 0.001 . 1 . . . . A 18 CYS H . 36040 1 91 . 1 1 18 18 CYS HA H 1 5.212 0.003 . 1 . . . . A 18 CYS HA . 36040 1 92 . 1 1 18 18 CYS HB2 H 1 3.026 0.001 . . . . . . A 18 CYS HB2 . 36040 1 93 . 1 1 18 18 CYS HB3 H 1 2.984 0.002 . . . . . . A 18 CYS HB3 . 36040 1 94 . 1 1 19 19 SER H H 1 9.880 0.001 . 1 . . . . A 19 SER H . 36040 1 95 . 1 1 19 19 SER HA H 1 4.901 0.003 . 1 . . . . A 19 SER HA . 36040 1 96 . 1 1 19 19 SER HB2 H 1 4.338 0.003 . . . . . . A 19 SER HB2 . 36040 1 97 . 1 1 19 19 SER HB3 H 1 4.248 0.001 . . . . . . A 19 SER HB3 . 36040 1 98 . 1 1 19 19 SER HG H 1 6.631 0.000 . 1 . . . . A 19 SER HG . 36040 1 99 . 1 1 20 20 GLN H H 1 8.380 0.002 . 1 . . . . A 20 GLN H . 36040 1 100 . 1 1 21 21 TYR H H 1 7.330 0.001 . 1 . . . . A 21 TYR H . 36040 1 101 . 1 1 21 21 TYR HA H 1 4.579 0.002 . 1 . . . . A 21 TYR HA . 36040 1 102 . 1 1 21 21 TYR HB2 H 1 3.618 0.001 . . . . . . A 21 TYR HB2 . 36040 1 103 . 1 1 21 21 TYR HB3 H 1 2.728 0.003 . . . . . . A 21 TYR HB3 . 36040 1 104 . 1 1 21 21 TYR HD1 H 1 7.153 0.004 . . . . . . A 21 TYR HD1 . 36040 1 105 . 1 1 21 21 TYR HD2 H 1 7.245 0.000 . . . . . . A 21 TYR HD2 . 36040 1 106 . 1 1 22 22 GLY H H 1 7.915 0.001 . 1 . . . . A 22 GLY H . 36040 1 107 . 1 1 22 22 GLY HA2 H 1 3.863 0.007 . . . . . . A 22 GLY HA2 . 36040 1 108 . 1 1 22 22 GLY HA3 H 1 3.540 0.000 . . . . . . A 22 GLY HA3 . 36040 1 109 . 1 1 23 23 PHE H H 1 7.398 0.002 . 1 . . . . A 23 PHE H . 36040 1 110 . 1 1 23 23 PHE HA H 1 5.237 0.002 . 1 . . . . A 23 PHE HA . 36040 1 111 . 1 1 23 23 PHE HB2 H 1 3.412 0.003 . . . . . . A 23 PHE HB2 . 36040 1 112 . 1 1 23 23 PHE HB3 H 1 2.929 0.003 . . . . . . A 23 PHE HB3 . 36040 1 113 . 1 1 23 23 PHE HD1 H 1 7.140 0.001 . . . . . . A 23 PHE HD1 . 36040 1 114 . 1 1 23 23 PHE HD2 H 1 6.722 0.001 . . . . . . A 23 PHE HD2 . 36040 1 115 . 1 1 24 24 CYS H H 1 8.942 0.001 . 1 . . . . A 24 CYS H . 36040 1 116 . 1 1 24 24 CYS HA H 1 5.743 0.002 . 1 . . . . A 24 CYS HA . 36040 1 117 . 1 1 24 24 CYS HB2 H 1 2.936 0.003 . . . . . . A 24 CYS HB2 . 36040 1 118 . 1 1 24 24 CYS HB3 H 1 2.861 0.005 . . . . . . A 24 CYS HB3 . 36040 1 119 . 1 1 25 25 GLY H H 1 9.246 0.001 . 1 . . . . A 25 GLY H . 36040 1 120 . 1 1 25 25 GLY HA2 H 1 3.705 0.007 . . . . . . A 25 GLY HA2 . 36040 1 121 . 1 1 25 25 GLY HA3 H 1 2.051 0.006 . . . . . . A 25 GLY HA3 . 36040 1 122 . 1 1 26 26 SER H H 1 8.655 0.001 . 1 . . . . A 26 SER H . 36040 1 123 . 1 1 26 26 SER HA H 1 5.025 0.002 . 1 . . . . A 26 SER HA . 36040 1 124 . 1 1 26 26 SER HB2 H 1 3.980 0.004 . . . . . . A 26 SER HB2 . 36040 1 125 . 1 1 26 26 SER HB3 H 1 3.622 0.003 . . . . . . A 26 SER HB3 . 36040 1 126 . 1 1 27 27 THR H H 1 7.041 0.002 . 1 . . . . A 27 THR H . 36040 1 127 . 1 1 27 27 THR HA H 1 4.849 0.002 . 1 . . . . A 27 THR HA . 36040 1 128 . 1 1 27 27 THR HB H 1 4.793 0.002 . 1 . . . . A 27 THR HB . 36040 1 129 . 1 1 27 27 THR HG21 H 1 1.342 0.001 . 1 . . . . A 27 THR HG21 . 36040 1 130 . 1 1 27 27 THR HG22 H 1 1.342 0.001 . 1 . . . . A 27 THR HG22 . 36040 1 131 . 1 1 27 27 THR HG23 H 1 1.342 0.001 . 1 . . . . A 27 THR HG23 . 36040 1 132 . 1 1 28 28 SER H H 1 9.320 0.002 . 1 . . . . A 28 SER H . 36040 1 133 . 1 1 28 28 SER HA H 1 4.182 0.001 . 1 . . . . A 28 SER HA . 36040 1 134 . 1 1 28 28 SER HB2 H 1 3.966 0.001 . . . . . . A 28 SER HB2 . 36040 1 135 . 1 1 28 28 SER HB3 H 1 3.966 0.001 . . . . . . A 28 SER HB3 . 36040 1 136 . 1 1 29 29 GLU H H 1 8.371 0.004 . 1 . . . . A 29 GLU H . 36040 1 137 . 1 1 29 29 GLU HA H 1 4.066 0.004 . 1 . . . . A 29 GLU HA . 36040 1 138 . 1 1 29 29 GLU HB2 H 1 1.950 0.000 . . . . . . A 29 GLU HB2 . 36040 1 139 . 1 1 29 29 GLU HB3 H 1 1.875 0.001 . . . . . . A 29 GLU HB3 . 36040 1 140 . 1 1 29 29 GLU HG2 H 1 2.309 0.002 . . . . . . A 29 GLU HG2 . 36040 1 141 . 1 1 29 29 GLU HG3 H 1 2.263 0.000 . . . . . . A 29 GLU HG3 . 36040 1 142 . 1 1 30 30 TYR H H 1 7.747 0.002 . 1 . . . . A 30 TYR H . 36040 1 143 . 1 1 30 30 TYR HA H 1 3.877 0.001 . 1 . . . . A 30 TYR HA . 36040 1 144 . 1 1 30 30 TYR HB2 H 1 3.124 0.002 . . . . . . A 30 TYR HB2 . 36040 1 145 . 1 1 30 30 TYR HB3 H 1 2.805 0.004 . . . . . . A 30 TYR HB3 . 36040 1 146 . 1 1 30 30 TYR HD1 H 1 7.483 0.002 . . . . . . A 30 TYR HD1 . 36040 1 147 . 1 1 30 30 TYR HD2 H 1 7.483 0.002 . . . . . . A 30 TYR HD2 . 36040 1 148 . 1 1 31 31 CYS H H 1 7.665 0.001 . 1 . . . . A 31 CYS H . 36040 1 149 . 1 1 31 31 CYS HA H 1 4.780 0.002 . 1 . . . . A 31 CYS HA . 36040 1 150 . 1 1 31 31 CYS HB2 H 1 3.163 0.004 . . . . . . A 31 CYS HB2 . 36040 1 151 . 1 1 31 31 CYS HB3 H 1 2.766 0.003 . . . . . . A 31 CYS HB3 . 36040 1 152 . 1 1 32 32 SER H H 1 7.911 0.002 . 1 . . . . A 32 SER H . 36040 1 153 . 1 1 32 32 SER HA H 1 4.711 0.003 . 1 . . . . A 32 SER HA . 36040 1 154 . 1 1 32 32 SER HB2 H 1 4.055 0.002 . . . . . . A 32 SER HB2 . 36040 1 155 . 1 1 32 32 SER HB3 H 1 3.919 0.003 . . . . . . A 32 SER HB3 . 36040 1 156 . 1 1 33 33 ARG H H 1 10.048 0.001 . 1 . . . . A 33 ARG H . 36040 1 157 . 1 1 33 33 ARG HA H 1 4.051 0.001 . 1 . . . . A 33 ARG HA . 36040 1 158 . 1 1 33 33 ARG HB2 H 1 1.898 0.000 . . . . . . A 33 ARG HB2 . 36040 1 159 . 1 1 33 33 ARG HB3 H 1 1.817 0.002 . . . . . . A 33 ARG HB3 . 36040 1 160 . 1 1 33 33 ARG HG2 H 1 1.682 0.000 . . . . . . A 33 ARG HG2 . 36040 1 161 . 1 1 33 33 ARG HG3 H 1 1.682 0.000 . . . . . . A 33 ARG HG3 . 36040 1 162 . 1 1 33 33 ARG HD2 H 1 3.196 0.001 . . . . . . A 33 ARG HD2 . 36040 1 163 . 1 1 33 33 ARG HD3 H 1 3.196 0.001 . . . . . . A 33 ARG HD3 . 36040 1 164 . 1 1 33 33 ARG HE H 1 7.237 0.000 . 1 . . . . A 33 ARG HE . 36040 1 165 . 1 1 34 34 ALA H H 1 8.689 0.001 . 1 . . . . A 34 ALA H . 36040 1 166 . 1 1 34 34 ALA HA H 1 4.167 0.004 . 1 . . . . A 34 ALA HA . 36040 1 167 . 1 1 34 34 ALA HB1 H 1 1.340 0.002 . 1 . . . . A 34 ALA HB1 . 36040 1 168 . 1 1 34 34 ALA HB2 H 1 1.340 0.002 . 1 . . . . A 34 ALA HB2 . 36040 1 169 . 1 1 34 34 ALA HB3 H 1 1.340 0.002 . 1 . . . . A 34 ALA HB3 . 36040 1 170 . 1 1 35 35 ASN H H 1 7.283 0.002 . 1 . . . . A 35 ASN H . 36040 1 171 . 1 1 35 35 ASN HA H 1 5.004 0.005 . 1 . . . . A 35 ASN HA . 36040 1 172 . 1 1 35 35 ASN HB2 H 1 3.150 0.003 . . . . . . A 35 ASN HB2 . 36040 1 173 . 1 1 35 35 ASN HB3 H 1 2.517 0.001 . . . . . . A 35 ASN HB3 . 36040 1 174 . 1 1 36 36 GLY H H 1 7.892 0.001 . 1 . . . . A 36 GLY H . 36040 1 175 . 1 1 36 36 GLY HA2 H 1 3.935 0.003 . . . . . . A 36 GLY HA2 . 36040 1 176 . 1 1 36 36 GLY HA3 H 1 3.738 0.000 . . . . . . A 36 GLY HA3 . 36040 1 177 . 1 1 37 37 CYS H H 1 7.162 0.001 . 1 . . . . A 37 CYS H . 36040 1 178 . 1 1 37 37 CYS HA H 1 4.257 0.004 . 1 . . . . A 37 CYS HA . 36040 1 179 . 1 1 37 37 CYS HB2 H 1 2.042 0.006 . . . . . . A 37 CYS HB2 . 36040 1 180 . 1 1 37 37 CYS HB3 H 1 3.243 0.001 . . . . . . A 37 CYS HB3 . 36040 1 181 . 1 1 38 38 GLN H H 1 9.541 0.005 . 1 . . . . A 38 GLN H . 36040 1 182 . 1 1 38 38 GLN HA H 1 4.468 0.004 . 1 . . . . A 38 GLN HA . 36040 1 183 . 1 1 38 38 GLN HB2 H 1 1.707 0.003 . . . . . . A 38 GLN HB2 . 36040 1 184 . 1 1 38 38 GLN HB3 H 1 1.707 0.003 . . . . . . A 38 GLN HB3 . 36040 1 185 . 1 1 38 38 GLN HG2 H 1 2.246 0.002 . . . . . . A 38 GLN HG2 . 36040 1 186 . 1 1 38 38 GLN HG3 H 1 2.149 0.002 . . . . . . A 38 GLN HG3 . 36040 1 187 . 1 1 39 39 SER H H 1 7.487 0.001 . 1 . . . . A 39 SER H . 36040 1 188 . 1 1 39 39 SER HA H 1 4.462 0.002 . 1 . . . . A 39 SER HA . 36040 1 189 . 1 1 39 39 SER HB2 H 1 4.046 0.004 . . . . . . A 39 SER HB2 . 36040 1 190 . 1 1 39 39 SER HB3 H 1 3.766 0.001 . . . . . . A 39 SER HB3 . 36040 1 191 . 1 1 40 40 ASN H H 1 9.086 0.005 . 1 . . . . A 40 ASN H . 36040 1 192 . 1 1 40 40 ASN HA H 1 4.274 0.001 . 1 . . . . A 40 ASN HA . 36040 1 193 . 1 1 40 40 ASN HB2 H 1 2.917 0.002 . . . . . . A 40 ASN HB2 . 36040 1 194 . 1 1 40 40 ASN HB3 H 1 2.811 0.001 . . . . . . A 40 ASN HB3 . 36040 1 195 . 1 1 41 41 CYS H H 1 7.948 0.011 . 1 . . . . A 41 CYS H . 36040 1 196 . 1 1 41 41 CYS HA H 1 4.763 0.003 . 1 . . . . A 41 CYS HA . 36040 1 197 . 1 1 41 41 CYS HB2 H 1 3.547 0.003 . . . . . . A 41 CYS HB2 . 36040 1 198 . 1 1 41 41 CYS HB3 H 1 2.509 0.002 . . . . . . A 41 CYS HB3 . 36040 1 199 . 1 1 42 42 ARG H H 1 8.426 0.001 . 1 . . . . A 42 ARG H . 36040 1 200 . 1 1 42 42 ARG HA H 1 4.574 0.002 . 1 . . . . A 42 ARG HA . 36040 1 201 . 1 1 42 42 ARG HB2 H 1 1.922 0.003 . . . . . . A 42 ARG HB2 . 36040 1 202 . 1 1 42 42 ARG HB3 H 1 1.922 0.003 . . . . . . A 42 ARG HB3 . 36040 1 203 . 1 1 42 42 ARG HG2 H 1 1.677 0.001 . . . . . . A 42 ARG HG2 . 36040 1 204 . 1 1 42 42 ARG HG3 H 1 1.586 0.003 . . . . . . A 42 ARG HG3 . 36040 1 205 . 1 1 42 42 ARG HD2 H 1 3.196 0.000 . . . . . . A 42 ARG HD2 . 36040 1 206 . 1 1 42 42 ARG HD3 H 1 3.142 0.011 . . . . . . A 42 ARG HD3 . 36040 1 207 . 1 1 42 42 ARG HE H 1 7.247 0.003 . 1 . . . . A 42 ARG HE . 36040 1 208 . 1 1 43 43 GLY H H 1 8.202 0.002 . 1 . . . . A 43 GLY H . 36040 1 209 . 1 1 43 43 GLY HA2 H 1 3.832 0.000 . . . . . . A 43 GLY HA2 . 36040 1 210 . 1 1 43 43 GLY HA3 H 1 3.715 0.001 . . . . . . A 43 GLY HA3 . 36040 1 stop_ save_