data_19032 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19032 _Entry.Title ; Analysis of the structural and molecular basis of voltage-sensitive sodium channel inhibition by the spider toxin, Huwentoxin-IV ( -TRTX-Hh2a). ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-02-12 _Entry.Accession_date 2013-02-12 _Entry.Last_release_date . _Entry.Original_release_date . _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 'NMR, 20 STRUCTURES' _Entry.Details HWTX-IV(K32A) _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 Al Gibbs . . . 19032 2 Natali Minassian . . . 19032 3 Mack Flinspach . . . 19032 4 Alan Wickenden . . . 19032 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' . 19032 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'venom toxin' . 19032 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19032 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 187 19032 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-08-07 2013-02-12 update BMRB 'update entry citation' 19032 1 . . 2013-06-17 2013-02-12 original author 'original release' 19032 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19026 HWTX-IV 19032 BMRB 19030 Huwentoxin-IV 19032 PDB 2M50 'BMRB Entry Tracking System' 19032 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 19032 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23760503 _Citation.Full_citation . _Citation.Title 'Analysis of the Structural and Molecular Basis of Voltage-sensitive Sodium Channel Inhibition by the Spider Toxin Huwentoxin-IV (-TRTX-Hh2a).' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 288 _Citation.Journal_issue 31 _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 22707 _Citation.Page_last 22720 _Citation.Year 2013 _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 Natali Minassian . A. . 19032 1 2 Alan Gibbs . . . 19032 1 3 Amy Shih . Y. . 19032 1 4 Yi Liu . . . 19032 1 5 Robert Neff . A. . 19032 1 6 Steven Sutton . W. . 19032 1 7 Tara Mirzadegan . . . 19032 1 8 Judith Connor . . . 19032 1 9 Ross Fellows . . . 19032 1 10 Matthew Husovsky . . . 19032 1 11 Serena Nelson . . . 19032 1 12 Michael Hunter . J. . 19032 1 13 Mack Flinspach . . . 19032 1 14 Alan Wickenden . D. . 19032 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19032 _Assembly.ID 1 _Assembly.Name Huwentoxin-IV _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 Huwentoxin-IV 1 $Huwentoxin-IV A . yes native no no . . . 19032 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Huwentoxin-IV _Entity.Sf_category entity _Entity.Sf_framecode Huwentoxin-IV _Entity.Entry_ID 19032 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Huwentoxin-IV _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 ; ECLEIFKACNPSNDQCCKSS KLVCSRKTRWCAYQI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 35 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4062.773 _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 BMRB 19026 . HWTX-IV . . . . . 100.00 35 97.14 97.14 1.23e-14 . . . . 19032 1 2 no PDB 1MB6 . "Three Dimensional Solution Structure Of Huwentoxin-Iv By 2d 1h-Nmr" . . . . . 100.00 35 97.14 97.14 1.23e-14 . . . . 19032 1 3 no PDB 2M4X . "Analysis Of The Structural And Molecular Basis Of Voltage-sensitive Sodium Channel Inhibition By The Spider Toxin, Huwentoxin-i" . . . . . 100.00 35 97.14 97.14 1.23e-14 . . . . 19032 1 4 no PDB 2M50 . "Analysis Of The Structural And Molecular Basis Of Voltage-sensitive Sodium Channel Inhibition By The Spider Toxin, Huwentoxin-i" . . . . . 100.00 35 100.00 100.00 2.08e-15 . . . . 19032 1 5 no GB AAP33074 . "huwentoxin-IV precursor [Haplopelma schmidti]" . . . . . 100.00 89 97.14 97.14 1.78e-15 . . . . 19032 1 6 no GB ABY77744 . "HWTX-IVa precursor [Haplopelma schmidti]" . . . . . 100.00 86 97.14 97.14 2.02e-15 . . . . 19032 1 7 no GB ABY77746 . "HWTX-IVc precursor [Haplopelma schmidti]" . . . . . 100.00 86 97.14 97.14 2.02e-15 . . . . 19032 1 8 no SP P83303 . "RecName: Full=Mu-theraphotoxin-Hs2a; Short=Mu-TRTX-Hs2a; AltName: Full=Huwentoxin-4; AltName: Full=Huwentoxin-IV; Short=HwTx-IV" . . . . . 100.00 89 97.14 97.14 1.78e-15 . . . . 19032 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 1 GLU . 19032 1 2 2 CYS . 19032 1 3 3 LEU . 19032 1 4 4 GLU . 19032 1 5 5 ILE . 19032 1 6 6 PHE . 19032 1 7 7 LYS . 19032 1 8 8 ALA . 19032 1 9 9 CYS . 19032 1 10 10 ASN . 19032 1 11 11 PRO . 19032 1 12 12 SER . 19032 1 13 13 ASN . 19032 1 14 14 ASP . 19032 1 15 15 GLN . 19032 1 16 16 CYS . 19032 1 17 17 CYS . 19032 1 18 18 LYS . 19032 1 19 19 SER . 19032 1 20 20 SER . 19032 1 21 21 LYS . 19032 1 22 22 LEU . 19032 1 23 23 VAL . 19032 1 24 24 CYS . 19032 1 25 25 SER . 19032 1 26 26 ARG . 19032 1 27 27 LYS . 19032 1 28 28 THR . 19032 1 29 29 ARG . 19032 1 30 30 TRP . 19032 1 31 31 CYS . 19032 1 32 32 ALA . 19032 1 33 33 TYR . 19032 1 34 34 GLN . 19032 1 35 35 ILE . 19032 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLU 1 1 19032 1 . CYS 2 2 19032 1 . LEU 3 3 19032 1 . GLU 4 4 19032 1 . ILE 5 5 19032 1 . PHE 6 6 19032 1 . LYS 7 7 19032 1 . ALA 8 8 19032 1 . CYS 9 9 19032 1 . ASN 10 10 19032 1 . PRO 11 11 19032 1 . SER 12 12 19032 1 . ASN 13 13 19032 1 . ASP 14 14 19032 1 . GLN 15 15 19032 1 . CYS 16 16 19032 1 . CYS 17 17 19032 1 . LYS 18 18 19032 1 . SER 19 19 19032 1 . SER 20 20 19032 1 . LYS 21 21 19032 1 . LEU 22 22 19032 1 . VAL 23 23 19032 1 . CYS 24 24 19032 1 . SER 25 25 19032 1 . ARG 26 26 19032 1 . LYS 27 27 19032 1 . THR 28 28 19032 1 . ARG 29 29 19032 1 . TRP 30 30 19032 1 . CYS 31 31 19032 1 . ALA 32 32 19032 1 . TYR 33 33 19032 1 . GLN 34 34 19032 1 . ILE 35 35 19032 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 19032 _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 $Huwentoxin-IV . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19032 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 19032 _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 $Huwentoxin-IV . 'recombinant technology' 'Homo sapiens' . . . Homo Sapien . . . . . . . . . . . . . . . . pCDNA . . . . . . 19032 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19032 _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 Huwentoxin-IV 'natural abundance' . . 1 $Huwentoxin-IV . . 2 . . mM . . . . 19032 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19032 1 3 'sodium azide' 'natural abundance' . . . . . . 150 . . uM . . . . 19032 1 4 EDTA '[U-99% 2H]' . . . . . . 100 . . uM . . . . 19032 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19032 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19032 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 19032 _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 pH 6.7 . pH 19032 1 pressure 1 . atm 19032 1 temperature 298 . K 19032 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19032 _Software.ID 1 _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' . . 19032 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19032 1 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 19032 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 19032 _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 . 950 . . . 19032 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 19032 _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-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19032 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19032 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19032 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19032 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19032 _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 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . . . . . 19032 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 19032 _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-15N HSQC' . . . 19032 1 2 '2D 1H-1H TOCSY' . . . 19032 1 3 '2D 1H-1H NOESY' . . . 19032 1 4 '2D 1H-13C HSQC' . . . 19032 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 2 2 CYS H H 1 8.318 0.000 . 1 . . . A 2 CYS H . 19032 1 2 . 1 1 2 2 CYS HA H 1 5.023 0.000 . 1 . . . A 2 CYS HA . 19032 1 3 . 1 1 2 2 CYS HB2 H 1 3.244 0.000 . 2 . . . A 2 CYS HB2 . 19032 1 4 . 1 1 2 2 CYS HB3 H 1 3.401 0.000 . 2 . . . A 2 CYS HB3 . 19032 1 5 . 1 1 3 3 LEU H H 1 8.769 0.000 . 1 . . . A 3 LEU H . 19032 1 6 . 1 1 3 3 LEU HA H 1 4.481 0.000 . 1 . . . A 3 LEU HA . 19032 1 7 . 1 1 3 3 LEU HB2 H 1 1.666 0.000 . 2 . . . A 3 LEU HB2 . 19032 1 8 . 1 1 3 3 LEU HB3 H 1 1.873 0.000 . 2 . . . A 3 LEU HB3 . 19032 1 9 . 1 1 3 3 LEU HG H 1 1.463 0.000 . 1 . . . A 3 LEU HG . 19032 1 10 . 1 1 3 3 LEU HD11 H 1 0.926 0.000 . 1 . . . A 3 LEU HD11 . 19032 1 11 . 1 1 3 3 LEU HD12 H 1 0.926 0.000 . 1 . . . A 3 LEU HD12 . 19032 1 12 . 1 1 3 3 LEU HD13 H 1 0.926 0.000 . 1 . . . A 3 LEU HD13 . 19032 1 13 . 1 1 3 3 LEU HD21 H 1 1.043 0.000 . 1 . . . A 3 LEU HD21 . 19032 1 14 . 1 1 3 3 LEU HD22 H 1 1.043 0.000 . 1 . . . A 3 LEU HD22 . 19032 1 15 . 1 1 3 3 LEU HD23 H 1 1.043 0.000 . 1 . . . A 3 LEU HD23 . 19032 1 16 . 1 1 4 4 GLU H H 1 7.766 0.000 . 1 . . . A 4 GLU H . 19032 1 17 . 1 1 4 4 GLU HA H 1 4.263 0.000 . 1 . . . A 4 GLU HA . 19032 1 18 . 1 1 4 4 GLU HB2 H 1 1.917 0.000 . 2 . . . A 4 GLU HB2 . 19032 1 19 . 1 1 4 4 GLU HB3 H 1 2.357 0.000 . 2 . . . A 4 GLU HB3 . 19032 1 20 . 1 1 4 4 GLU HG2 H 1 2.565 0.000 . 2 . . . A 4 GLU HG2 . 19032 1 21 . 1 1 4 4 GLU HG3 H 1 2.660 0.000 . 2 . . . A 4 GLU HG3 . 19032 1 22 . 1 1 5 5 ILE H H 1 7.804 0.000 . 1 . . . A 5 ILE H . 19032 1 23 . 1 1 5 5 ILE HA H 1 3.338 0.000 . 1 . . . A 5 ILE HA . 19032 1 24 . 1 1 5 5 ILE HB H 1 1.451 0.000 . 1 . . . A 5 ILE HB . 19032 1 25 . 1 1 5 5 ILE HG12 H 1 0.772 0.000 . 2 . . . A 5 ILE HG12 . 19032 1 26 . 1 1 5 5 ILE HG13 H 1 0.644 0.000 . 2 . . . A 5 ILE HG13 . 19032 1 27 . 1 1 5 5 ILE HG21 H 1 0.333 0.000 . 1 . . . A 5 ILE HG21 . 19032 1 28 . 1 1 5 5 ILE HG22 H 1 0.333 0.000 . 1 . . . A 5 ILE HG22 . 19032 1 29 . 1 1 5 5 ILE HG23 H 1 0.333 0.000 . 1 . . . A 5 ILE HG23 . 19032 1 30 . 1 1 5 5 ILE HD11 H 1 -0.117 0.000 . 1 . . . A 5 ILE HD11 . 19032 1 31 . 1 1 5 5 ILE HD12 H 1 -0.117 0.000 . 1 . . . A 5 ILE HD12 . 19032 1 32 . 1 1 5 5 ILE HD13 H 1 -0.117 0.000 . 1 . . . A 5 ILE HD13 . 19032 1 33 . 1 1 6 6 PHE H H 1 8.774 0.000 . 1 . . . A 6 PHE H . 19032 1 34 . 1 1 6 6 PHE HA H 1 3.754 0.000 . 1 . . . A 6 PHE HA . 19032 1 35 . 1 1 6 6 PHE HB2 H 1 2.945 0.000 . 2 . . . A 6 PHE HB2 . 19032 1 36 . 1 1 6 6 PHE HB3 H 1 3.238 0.000 . 2 . . . A 6 PHE HB3 . 19032 1 37 . 1 1 8 8 ALA H H 1 8.493 0.000 . 1 . . . A 8 ALA H . 19032 1 38 . 1 1 8 8 ALA HA H 1 4.900 0.000 . 1 . . . A 8 ALA HA . 19032 1 39 . 1 1 8 8 ALA HB1 H 1 1.638 0.000 . 1 . . . A 8 ALA HB1 . 19032 1 40 . 1 1 8 8 ALA HB2 H 1 1.638 0.000 . 1 . . . A 8 ALA HB2 . 19032 1 41 . 1 1 8 8 ALA HB3 H 1 1.638 0.000 . 1 . . . A 8 ALA HB3 . 19032 1 42 . 1 1 9 9 CYS H H 1 8.448 0.000 . 1 . . . A 9 CYS H . 19032 1 43 . 1 1 9 9 CYS HA H 1 4.900 0.000 . 1 . . . A 9 CYS HA . 19032 1 44 . 1 1 9 9 CYS HB2 H 1 3.052 0.000 . 2 . . . A 9 CYS HB2 . 19032 1 45 . 1 1 9 9 CYS HB3 H 1 3.218 0.000 . 2 . . . A 9 CYS HB3 . 19032 1 46 . 1 1 10 10 ASN H H 1 9.168 0.000 . 1 . . . A 10 ASN H . 19032 1 47 . 1 1 10 10 ASN HA H 1 5.231 0.000 . 1 . . . A 10 ASN HA . 19032 1 48 . 1 1 10 10 ASN HB2 H 1 2.798 0.000 . 2 . . . A 10 ASN HB2 . 19032 1 49 . 1 1 10 10 ASN HB3 H 1 3.045 0.000 . 2 . . . A 10 ASN HB3 . 19032 1 50 . 1 1 11 11 PRO HA H 1 3.944 0.000 . 1 . . . A 11 PRO HA . 19032 1 51 . 1 1 11 11 PRO HB2 H 1 2.298 0.000 . 2 . . . A 11 PRO HB2 . 19032 1 52 . 1 1 11 11 PRO HB3 H 1 2.222 0.000 . 2 . . . A 11 PRO HB3 . 19032 1 53 . 1 1 11 11 PRO HG2 H 1 2.074 0.000 . 2 . . . A 11 PRO HG2 . 19032 1 54 . 1 1 11 11 PRO HG3 H 1 2.145 0.000 . 2 . . . A 11 PRO HG3 . 19032 1 55 . 1 1 11 11 PRO HD2 H 1 3.287 0.000 . 2 . . . A 11 PRO HD2 . 19032 1 56 . 1 1 11 11 PRO HD3 H 1 3.287 0.000 . 2 . . . A 11 PRO HD3 . 19032 1 57 . 1 1 12 12 SER H H 1 7.916 0.000 . 1 . . . A 12 SER H . 19032 1 58 . 1 1 12 12 SER HA H 1 4.508 0.000 . 1 . . . A 12 SER HA . 19032 1 59 . 1 1 12 12 SER HB2 H 1 3.896 0.000 . 2 . . . A 12 SER HB2 . 19032 1 60 . 1 1 12 12 SER HB3 H 1 4.013 0.000 . 2 . . . A 12 SER HB3 . 19032 1 61 . 1 1 13 13 ASN H H 1 7.724 0.000 . 1 . . . A 13 ASN H . 19032 1 62 . 1 1 13 13 ASN HA H 1 4.743 0.000 . 1 . . . A 13 ASN HA . 19032 1 63 . 1 1 13 13 ASN HB2 H 1 2.698 0.000 . 2 . . . A 13 ASN HB2 . 19032 1 64 . 1 1 13 13 ASN HB3 H 1 2.755 0.000 . 2 . . . A 13 ASN HB3 . 19032 1 65 . 1 1 14 14 ASP H H 1 8.834 0.000 . 1 . . . A 14 ASP H . 19032 1 66 . 1 1 14 14 ASP HA H 1 4.152 0.000 . 1 . . . A 14 ASP HA . 19032 1 67 . 1 1 14 14 ASP HB2 H 1 2.562 0.000 . 2 . . . A 14 ASP HB2 . 19032 1 68 . 1 1 14 14 ASP HB3 H 1 3.069 0.000 . 2 . . . A 14 ASP HB3 . 19032 1 69 . 1 1 15 15 GLN H H 1 8.151 0.000 . 1 . . . A 15 GLN H . 19032 1 70 . 1 1 15 15 GLN HA H 1 4.699 0.000 . 1 . . . A 15 GLN HA . 19032 1 71 . 1 1 15 15 GLN HB2 H 1 2.422 0.000 . 2 . . . A 15 GLN HB2 . 19032 1 72 . 1 1 15 15 GLN HB3 H 1 2.422 0.000 . 2 . . . A 15 GLN HB3 . 19032 1 73 . 1 1 15 15 GLN HG2 H 1 2.497 0.000 . 2 . . . A 15 GLN HG2 . 19032 1 74 . 1 1 15 15 GLN HG3 H 1 2.820 0.000 . 2 . . . A 15 GLN HG3 . 19032 1 75 . 1 1 16 16 CYS H H 1 9.274 0.000 . 1 . . . A 16 CYS H . 19032 1 76 . 1 1 16 16 CYS HA H 1 4.638 0.000 . 1 . . . A 16 CYS HA . 19032 1 77 . 1 1 16 16 CYS HB2 H 1 2.613 0.000 . 2 . . . A 16 CYS HB2 . 19032 1 78 . 1 1 16 16 CYS HB3 H 1 2.745 0.000 . 2 . . . A 16 CYS HB3 . 19032 1 79 . 1 1 17 17 CYS H H 1 9.389 0.000 . 1 . . . A 17 CYS H . 19032 1 80 . 1 1 17 17 CYS HA H 1 4.641 0.000 . 1 . . . A 17 CYS HA . 19032 1 81 . 1 1 17 17 CYS HB2 H 1 3.150 0.000 . 2 . . . A 17 CYS HB2 . 19032 1 82 . 1 1 17 17 CYS HB3 H 1 3.260 0.000 . 2 . . . A 17 CYS HB3 . 19032 1 83 . 1 1 18 18 LYS H H 1 9.082 0.000 . 1 . . . A 18 LYS H . 19032 1 84 . 1 1 18 18 LYS HA H 1 4.322 0.000 . 1 . . . A 18 LYS HA . 19032 1 85 . 1 1 18 18 LYS HB2 H 1 1.803 0.000 . 2 . . . A 18 LYS HB2 . 19032 1 86 . 1 1 18 18 LYS HB3 H 1 1.983 0.000 . 2 . . . A 18 LYS HB3 . 19032 1 87 . 1 1 18 18 LYS HD2 H 1 1.675 0.000 . 2 . . . A 18 LYS HD2 . 19032 1 88 . 1 1 18 18 LYS HD3 H 1 1.675 0.000 . 2 . . . A 18 LYS HD3 . 19032 1 89 . 1 1 18 18 LYS HE2 H 1 3.147 0.000 . 2 . . . A 18 LYS HE2 . 19032 1 90 . 1 1 18 18 LYS HE3 H 1 3.147 0.000 . 2 . . . A 18 LYS HE3 . 19032 1 91 . 1 1 19 19 SER H H 1 9.115 0.000 . 1 . . . A 19 SER H . 19032 1 92 . 1 1 19 19 SER HA H 1 4.350 0.000 . 1 . . . A 19 SER HA . 19032 1 93 . 1 1 19 19 SER HB2 H 1 4.028 0.000 . 2 . . . A 19 SER HB2 . 19032 1 94 . 1 1 19 19 SER HB3 H 1 4.104 0.000 . 2 . . . A 19 SER HB3 . 19032 1 95 . 1 1 20 20 SER H H 1 6.913 0.000 . 1 . . . A 20 SER H . 19032 1 96 . 1 1 20 20 SER HA H 1 4.796 0.000 . 1 . . . A 20 SER HA . 19032 1 97 . 1 1 20 20 SER HB2 H 1 3.725 0.000 . 2 . . . A 20 SER HB2 . 19032 1 98 . 1 1 20 20 SER HB3 H 1 4.236 0.000 . 2 . . . A 20 SER HB3 . 19032 1 99 . 1 1 21 21 LYS H H 1 8.131 0.000 . 1 . . . A 21 LYS H . 19032 1 100 . 1 1 21 21 LYS HA H 1 3.965 0.000 . 1 . . . A 21 LYS HA . 19032 1 101 . 1 1 21 21 LYS HB2 H 1 2.296 0.000 . 2 . . . A 21 LYS HB2 . 19032 1 102 . 1 1 21 21 LYS HB3 H 1 2.296 0.000 . 2 . . . A 21 LYS HB3 . 19032 1 103 . 1 1 21 21 LYS HG2 H 1 1.448 0.000 . 2 . . . A 21 LYS HG2 . 19032 1 104 . 1 1 21 21 LYS HG3 H 1 1.448 0.000 . 2 . . . A 21 LYS HG3 . 19032 1 105 . 1 1 21 21 LYS HD2 H 1 2.090 0.000 . 2 . . . A 21 LYS HD2 . 19032 1 106 . 1 1 21 21 LYS HD3 H 1 2.090 0.000 . 2 . . . A 21 LYS HD3 . 19032 1 107 . 1 1 22 22 LEU H H 1 7.031 0.000 . 1 . . . A 22 LEU H . 19032 1 108 . 1 1 22 22 LEU HA H 1 4.970 0.000 . 1 . . . A 22 LEU HA . 19032 1 109 . 1 1 22 22 LEU HB2 H 1 1.741 0.000 . 2 . . . A 22 LEU HB2 . 19032 1 110 . 1 1 22 22 LEU HG H 1 1.415 0.000 . 1 . . . A 22 LEU HG . 19032 1 111 . 1 1 22 22 LEU HD11 H 1 0.820 0.000 . 1 . . . A 22 LEU HD11 . 19032 1 112 . 1 1 22 22 LEU HD12 H 1 0.820 0.000 . 1 . . . A 22 LEU HD12 . 19032 1 113 . 1 1 22 22 LEU HD13 H 1 0.820 0.000 . 1 . . . A 22 LEU HD13 . 19032 1 114 . 1 1 22 22 LEU HD21 H 1 0.820 0.000 . 1 . . . A 22 LEU HD21 . 19032 1 115 . 1 1 22 22 LEU HD22 H 1 0.820 0.000 . 1 . . . A 22 LEU HD22 . 19032 1 116 . 1 1 22 22 LEU HD23 H 1 0.820 0.000 . 1 . . . A 22 LEU HD23 . 19032 1 117 . 1 1 23 23 VAL H H 1 9.281 0.000 . 1 . . . A 23 VAL H . 19032 1 118 . 1 1 23 23 VAL HA H 1 4.354 0.000 . 1 . . . A 23 VAL HA . 19032 1 119 . 1 1 23 23 VAL HB H 1 1.881 0.000 . 1 . . . A 23 VAL HB . 19032 1 120 . 1 1 23 23 VAL HG11 H 1 0.839 0.000 . 1 . . . A 23 VAL HG11 . 19032 1 121 . 1 1 23 23 VAL HG12 H 1 0.839 0.000 . 1 . . . A 23 VAL HG12 . 19032 1 122 . 1 1 23 23 VAL HG13 H 1 0.839 0.000 . 1 . . . A 23 VAL HG13 . 19032 1 123 . 1 1 23 23 VAL HG21 H 1 0.839 0.000 . 1 . . . A 23 VAL HG21 . 19032 1 124 . 1 1 23 23 VAL HG22 H 1 0.839 0.000 . 1 . . . A 23 VAL HG22 . 19032 1 125 . 1 1 23 23 VAL HG23 H 1 0.839 0.000 . 1 . . . A 23 VAL HG23 . 19032 1 126 . 1 1 24 24 CYS H H 1 9.634 0.000 . 1 . . . A 24 CYS H . 19032 1 127 . 1 1 24 24 CYS HA H 1 4.583 0.000 . 1 . . . A 24 CYS HA . 19032 1 128 . 1 1 24 24 CYS HB2 H 1 2.571 0.000 . 2 . . . A 24 CYS HB2 . 19032 1 129 . 1 1 24 24 CYS HB3 H 1 3.083 0.000 . 2 . . . A 24 CYS HB3 . 19032 1 130 . 1 1 25 25 SER H H 1 7.868 0.000 . 1 . . . A 25 SER H . 19032 1 131 . 1 1 25 25 SER HA H 1 4.431 0.000 . 1 . . . A 25 SER HA . 19032 1 132 . 1 1 25 25 SER HB2 H 1 4.011 0.000 . 2 . . . A 25 SER HB2 . 19032 1 133 . 1 1 25 25 SER HB3 H 1 4.112 0.000 . 2 . . . A 25 SER HB3 . 19032 1 134 . 1 1 26 26 ARG H H 1 9.077 0.000 . 1 . . . A 26 ARG H . 19032 1 135 . 1 1 26 26 ARG HA H 1 3.948 0.000 . 1 . . . A 26 ARG HA . 19032 1 136 . 1 1 26 26 ARG HB2 H 1 1.845 0.000 . 2 . . . A 26 ARG HB2 . 19032 1 137 . 1 1 26 26 ARG HB3 H 1 1.982 0.000 . 2 . . . A 26 ARG HB3 . 19032 1 138 . 1 1 26 26 ARG HG2 H 1 1.698 0.000 . 2 . . . A 26 ARG HG2 . 19032 1 139 . 1 1 27 27 LYS H H 1 7.853 0.000 . 1 . . . A 27 LYS H . 19032 1 140 . 1 1 27 27 LYS HA H 1 4.428 0.000 . 1 . . . A 27 LYS HA . 19032 1 141 . 1 1 27 27 LYS HB2 H 1 2.124 0.000 . 2 . . . A 27 LYS HB2 . 19032 1 142 . 1 1 27 27 LYS HB3 H 1 2.124 0.000 . 2 . . . A 27 LYS HB3 . 19032 1 143 . 1 1 27 27 LYS HD2 H 1 1.821 0.000 . 2 . . . A 27 LYS HD2 . 19032 1 144 . 1 1 27 27 LYS HD3 H 1 1.821 0.000 . 2 . . . A 27 LYS HD3 . 19032 1 145 . 1 1 28 28 THR H H 1 7.455 0.000 . 1 . . . A 28 THR H . 19032 1 146 . 1 1 28 28 THR HA H 1 3.923 0.000 . 1 . . . A 28 THR HA . 19032 1 147 . 1 1 28 28 THR HB H 1 2.381 0.000 . 1 . . . A 28 THR HB . 19032 1 148 . 1 1 28 28 THR HG21 H 1 0.650 0.000 . 1 . . . A 28 THR HG21 . 19032 1 149 . 1 1 28 28 THR HG22 H 1 0.650 0.000 . 1 . . . A 28 THR HG22 . 19032 1 150 . 1 1 28 28 THR HG23 H 1 0.650 0.000 . 1 . . . A 28 THR HG23 . 19032 1 151 . 1 1 29 29 ARG H H 1 7.417 0.000 . 1 . . . A 29 ARG H . 19032 1 152 . 1 1 29 29 ARG HA H 1 3.937 0.000 . 1 . . . A 29 ARG HA . 19032 1 153 . 1 1 29 29 ARG HB2 H 1 2.092 0.000 . 2 . . . A 29 ARG HB2 . 19032 1 154 . 1 1 29 29 ARG HG2 H 1 1.527 0.000 . 2 . . . A 29 ARG HG2 . 19032 1 155 . 1 1 29 29 ARG HG3 H 1 1.349 0.000 . 2 . . . A 29 ARG HG3 . 19032 1 156 . 1 1 29 29 ARG HD2 H 1 2.399 0.000 . 2 . . . A 29 ARG HD2 . 19032 1 157 . 1 1 30 30 TRP H H 1 7.258 0.000 . 1 . . . A 30 TRP H . 19032 1 158 . 1 1 30 30 TRP HA H 1 5.678 0.000 . 1 . . . A 30 TRP HA . 19032 1 159 . 1 1 30 30 TRP HB2 H 1 2.833 0.000 . 2 . . . A 30 TRP HB2 . 19032 1 160 . 1 1 30 30 TRP HB3 H 1 3.244 0.000 . 2 . . . A 30 TRP HB3 . 19032 1 161 . 1 1 30 30 TRP HE1 H 1 10.831 0.000 . 1 . . . A 30 TRP HE1 . 19032 1 162 . 1 1 31 31 CYS H H 1 8.686 0.000 . 1 . . . A 31 CYS H . 19032 1 163 . 1 1 31 31 CYS HA H 1 4.900 0.000 . 1 . . . A 31 CYS HA . 19032 1 164 . 1 1 31 31 CYS HB2 H 1 2.516 0.000 . 2 . . . A 31 CYS HB2 . 19032 1 165 . 1 1 31 31 CYS HB3 H 1 3.194 0.000 . 2 . . . A 31 CYS HB3 . 19032 1 166 . 1 1 32 32 ALA H H 1 9.471 0.000 . 1 . . . A 32 ALA H . 19032 1 167 . 1 1 32 32 ALA HA H 1 4.734 0.000 . 1 . . . A 32 ALA HA . 19032 1 168 . 1 1 32 32 ALA HB1 H 1 1.630 0.000 . 1 . . . A 32 ALA HB1 . 19032 1 169 . 1 1 32 32 ALA HB2 H 1 1.630 0.000 . 1 . . . A 32 ALA HB2 . 19032 1 170 . 1 1 32 32 ALA HB3 H 1 1.630 0.000 . 1 . . . A 32 ALA HB3 . 19032 1 171 . 1 1 33 33 TYR H H 1 8.264 0.000 . 1 . . . A 33 TYR H . 19032 1 172 . 1 1 33 33 TYR HA H 1 4.900 0.000 . 1 . . . A 33 TYR HA . 19032 1 173 . 1 1 33 33 TYR HB2 H 1 2.842 0.000 . 2 . . . A 33 TYR HB2 . 19032 1 174 . 1 1 33 33 TYR HB3 H 1 3.205 0.000 . 2 . . . A 33 TYR HB3 . 19032 1 175 . 1 1 34 34 GLN H H 1 8.722 0.000 . 1 . . . A 34 GLN H . 19032 1 176 . 1 1 34 34 GLN HA H 1 4.394 0.000 . 1 . . . A 34 GLN HA . 19032 1 177 . 1 1 34 34 GLN HB2 H 1 1.961 0.000 . 2 . . . A 34 GLN HB2 . 19032 1 178 . 1 1 34 34 GLN HB3 H 1 2.330 0.000 . 2 . . . A 34 GLN HB3 . 19032 1 179 . 1 1 35 35 ILE H H 1 8.410 0.000 . 1 . . . A 35 ILE H . 19032 1 180 . 1 1 35 35 ILE HA H 1 4.231 0.000 . 1 . . . A 35 ILE HA . 19032 1 181 . 1 1 35 35 ILE HB H 1 1.938 0.000 . 1 . . . A 35 ILE HB . 19032 1 182 . 1 1 35 35 ILE HG21 H 1 1.036 0.000 . 1 . . . A 35 ILE HG21 . 19032 1 183 . 1 1 35 35 ILE HG22 H 1 1.036 0.000 . 1 . . . A 35 ILE HG22 . 19032 1 184 . 1 1 35 35 ILE HG23 H 1 1.036 0.000 . 1 . . . A 35 ILE HG23 . 19032 1 185 . 1 1 35 35 ILE HD11 H 1 0.907 0.000 . 1 . . . A 35 ILE HD11 . 19032 1 186 . 1 1 35 35 ILE HD12 H 1 0.907 0.000 . 1 . . . A 35 ILE HD12 . 19032 1 187 . 1 1 35 35 ILE HD13 H 1 0.907 0.000 . 1 . . . A 35 ILE HD13 . 19032 1 stop_ save_