data_25419 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25419 _Entry.Title ; NMR solution structure of -TRTX-Tp1a from the tarantula Thrixopelma pruriens ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-01-08 _Entry.Accession_date 2015-01-08 _Entry.Last_release_date 2015-06-01 _Entry.Original_release_date 2015-06-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.97 _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.ORCID _Entry_author.Entry_ID 1 'K. Johan' Rosengren . . . . 25419 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' . 25419 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'cystine knot' . 25419 'sodium channel inhibitor' . 25419 'spider toxin' . 25419 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25419 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 225 25419 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 . . 2016-02-18 2015-01-08 update BMRB 'update entry citation' 25419 1 . . 2015-06-01 2015-01-08 original author 'original release' 25419 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MXM 'BMRB Entry Tracking System' 25419 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25419 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25979003 _Citation.Full_citation . _Citation.Title ; Identification and Characterization of ProTx-III [ mu-TRTX-Tp1a], A New Voltage-Gated Sodium Channel Inhibitor from Venom of the Tarantula Thrixopelma Pruriens ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Pharmacol.' _Citation.Journal_name_full . _Citation.Journal_volume 88 _Citation.Journal_issue 2 _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 291 _Citation.Page_last 303 _Citation.Year 2015 _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 Fernanda Cardoso . C. . . 25419 1 2 Zoltan Dekan . . . . 25419 1 3 'K. Johan' Rosengren . . . . 25419 1 4 Andelain Erickson . . . . 25419 1 5 Irina Vetter . . . . 25419 1 6 Jennifer Deuis . . . . 25419 1 7 Volker Herzig . . . . 25419 1 8 Paul Alewood . F. . . 25419 1 9 Glenn King . F. . . 25419 1 10 Richard Lewis . J. . . 25419 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25419 _Assembly.ID 1 _Assembly.Name 'TRTX-Tp1a from the tarantula Thrixopelma pruriens' _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 entity 1 $entity A . yes native no no . . . 25419 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25419 _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 ; DCLKFGWKCNPRNDKCCSGL KCGSNHNWCKLHL ; _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 33 _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 3817.504 _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 . ASP . 25419 1 2 . CYS . 25419 1 3 . LEU . 25419 1 4 . LYS . 25419 1 5 . PHE . 25419 1 6 . GLY . 25419 1 7 . TRP . 25419 1 8 . LYS . 25419 1 9 . CYS . 25419 1 10 . ASN . 25419 1 11 . PRO . 25419 1 12 . ARG . 25419 1 13 . ASN . 25419 1 14 . ASP . 25419 1 15 . LYS . 25419 1 16 . CYS . 25419 1 17 . CYS . 25419 1 18 . SER . 25419 1 19 . GLY . 25419 1 20 . LEU . 25419 1 21 . LYS . 25419 1 22 . CYS . 25419 1 23 . GLY . 25419 1 24 . SER . 25419 1 25 . ASN . 25419 1 26 . HIS . 25419 1 27 . ASN . 25419 1 28 . TRP . 25419 1 29 . CYS . 25419 1 30 . LYS . 25419 1 31 . LEU . 25419 1 32 . HIS . 25419 1 33 . LEU . 25419 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 . ASP 1 1 25419 1 . CYS 2 2 25419 1 . LEU 3 3 25419 1 . LYS 4 4 25419 1 . PHE 5 5 25419 1 . GLY 6 6 25419 1 . TRP 7 7 25419 1 . LYS 8 8 25419 1 . CYS 9 9 25419 1 . ASN 10 10 25419 1 . PRO 11 11 25419 1 . ARG 12 12 25419 1 . ASN 13 13 25419 1 . ASP 14 14 25419 1 . LYS 15 15 25419 1 . CYS 16 16 25419 1 . CYS 17 17 25419 1 . SER 18 18 25419 1 . GLY 19 19 25419 1 . LEU 20 20 25419 1 . LYS 21 21 25419 1 . CYS 22 22 25419 1 . GLY 23 23 25419 1 . SER 24 24 25419 1 . ASN 25 25 25419 1 . HIS 26 26 25419 1 . ASN 27 27 25419 1 . TRP 28 28 25419 1 . CYS 29 29 25419 1 . LYS 30 30 25419 1 . LEU 31 31 25419 1 . HIS 32 32 25419 1 . LEU 33 33 25419 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 25419 _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 . 213387 organism . 'Thrixopelma pruriens' 'green velvet' . . Eukaryota Metazoa Thrixopelma pruriens . . . . . . . . . . . . . 25419 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 25419 _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 . 'chemical synthesis' . . . . . . . . . . . . . . . . 25419 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25419 _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 entity 'natural abundance' . . 1 $entity . . 0.4 . . mg/mL . . . . 25419 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 25419 _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 25419 1 pH 3.5 . pH 25419 1 pressure 1 . atm 25419 1 temperature 298 . K 25419 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25419 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25419 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25419 1 processing 25419 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25419 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25419 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25419 2 'peak picking' 25419 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25419 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25419 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25419 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25419 _Software.ID 4 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 25419 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25419 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25419 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Equipped with 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 25419 _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 'Equipped with cryoprobe' . . 25419 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 25419 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25419 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25419 1 3 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25419 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 25419 _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 4.768 internal direct 0 . . . . . . . . . 25419 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 25419 _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' . . . 25419 1 2 '2D 1H-1H NOESY' . . . 25419 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CARA . . 25419 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 ASP HA H 1 4.262 0.002 . . . . . A 1 ASP HA . 25419 1 2 . 1 1 1 1 ASP HB2 H 1 2.672 0.002 . . . . . A 1 ASP HB2 . 25419 1 3 . 1 1 1 1 ASP HB3 H 1 2.834 0.002 . . . . . A 1 ASP HB3 . 25419 1 4 . 1 1 2 2 CYS H H 1 8.525 0.002 . . . . . A 2 CYS H . 25419 1 5 . 1 1 2 2 CYS HA H 1 4.873 0.002 . . . . . A 2 CYS HA . 25419 1 6 . 1 1 2 2 CYS HB2 H 1 3.069 0.002 . . . . . A 2 CYS HB2 . 25419 1 7 . 1 1 2 2 CYS HB3 H 1 3.152 0.002 . . . . . A 2 CYS HB3 . 25419 1 8 . 1 1 3 3 LEU H H 1 8.461 0.002 . . . . . A 3 LEU H . 25419 1 9 . 1 1 3 3 LEU HA H 1 4.224 0.002 . . . . . A 3 LEU HA . 25419 1 10 . 1 1 3 3 LEU HB2 H 1 1.471 0.002 . . . . . A 3 LEU HB2 . 25419 1 11 . 1 1 3 3 LEU HB3 H 1 1.789 0.002 . . . . . A 3 LEU HB3 . 25419 1 12 . 1 1 3 3 LEU HG H 1 1.559 0.002 . . . . . A 3 LEU HG . 25419 1 13 . 1 1 3 3 LEU HD11 H 1 1.042 0.002 . . . . . A 3 LEU HD11 . 25419 1 14 . 1 1 3 3 LEU HD12 H 1 1.042 0.002 . . . . . A 3 LEU HD12 . 25419 1 15 . 1 1 3 3 LEU HD13 H 1 1.042 0.002 . . . . . A 3 LEU HD13 . 25419 1 16 . 1 1 3 3 LEU HD21 H 1 1.010 0.002 . . . . . A 3 LEU HD21 . 25419 1 17 . 1 1 3 3 LEU HD22 H 1 1.010 0.002 . . . . . A 3 LEU HD22 . 25419 1 18 . 1 1 3 3 LEU HD23 H 1 1.010 0.002 . . . . . A 3 LEU HD23 . 25419 1 19 . 1 1 4 4 LYS H H 1 5.315 0.002 . . . . . A 4 LYS H . 25419 1 20 . 1 1 4 4 LYS HA H 1 3.644 0.002 . . . . . A 4 LYS HA . 25419 1 21 . 1 1 4 4 LYS HB2 H 1 0.064 0.002 . . . . . A 4 LYS HB2 . 25419 1 22 . 1 1 4 4 LYS HB3 H 1 1.502 0.002 . . . . . A 4 LYS HB3 . 25419 1 23 . 1 1 4 4 LYS HG2 H 1 0.714 0.002 . . . . . A 4 LYS HG2 . 25419 1 24 . 1 1 4 4 LYS HG3 H 1 0.714 0.002 . . . . . A 4 LYS HG3 . 25419 1 25 . 1 1 4 4 LYS HD2 H 1 1.342 0.002 . . . . . A 4 LYS HD2 . 25419 1 26 . 1 1 4 4 LYS HD3 H 1 1.342 0.002 . . . . . A 4 LYS HD3 . 25419 1 27 . 1 1 4 4 LYS HE2 H 1 2.815 0.002 . . . . . A 4 LYS HE2 . 25419 1 28 . 1 1 4 4 LYS HE3 H 1 2.815 0.002 . . . . . A 4 LYS HE3 . 25419 1 29 . 1 1 5 5 PHE H H 1 8.145 0.002 . . . . . A 5 PHE H . 25419 1 30 . 1 1 5 5 PHE HA H 1 3.669 0.002 . . . . . A 5 PHE HA . 25419 1 31 . 1 1 5 5 PHE HB2 H 1 2.723 0.002 . . . . . A 5 PHE HB2 . 25419 1 32 . 1 1 5 5 PHE HB3 H 1 2.979 0.002 . . . . . A 5 PHE HB3 . 25419 1 33 . 1 1 5 5 PHE HD1 H 1 7.031 0.002 . . . . . A 5 PHE HD1 . 25419 1 34 . 1 1 5 5 PHE HD2 H 1 7.031 0.002 . . . . . A 5 PHE HD2 . 25419 1 35 . 1 1 5 5 PHE HE1 H 1 7.374 0.002 . . . . . A 5 PHE HE1 . 25419 1 36 . 1 1 5 5 PHE HE2 H 1 7.374 0.002 . . . . . A 5 PHE HE2 . 25419 1 37 . 1 1 5 5 PHE HZ H 1 7.331 0.002 . . . . . A 5 PHE HZ . 25419 1 38 . 1 1 6 6 GLY H H 1 8.767 0.002 . . . . . A 6 GLY H . 25419 1 39 . 1 1 6 6 GLY HA2 H 1 3.807 0.002 . . . . . A 6 GLY HA2 . 25419 1 40 . 1 1 6 6 GLY HA3 H 1 2.937 0.002 . . . . . A 6 GLY HA3 . 25419 1 41 . 1 1 7 7 TRP H H 1 8.312 0.002 . . . . . A 7 TRP H . 25419 1 42 . 1 1 7 7 TRP HA H 1 4.573 0.002 . . . . . A 7 TRP HA . 25419 1 43 . 1 1 7 7 TRP HB2 H 1 3.239 0.002 . . . . . A 7 TRP HB2 . 25419 1 44 . 1 1 7 7 TRP HB3 H 1 3.354 0.002 . . . . . A 7 TRP HB3 . 25419 1 45 . 1 1 7 7 TRP HD1 H 1 6.991 0.002 . . . . . A 7 TRP HD1 . 25419 1 46 . 1 1 7 7 TRP HE1 H 1 10.261 0.002 . . . . . A 7 TRP HE1 . 25419 1 47 . 1 1 7 7 TRP HE3 H 1 7.687 0.002 . . . . . A 7 TRP HE3 . 25419 1 48 . 1 1 7 7 TRP HZ2 H 1 7.517 0.002 . . . . . A 7 TRP HZ2 . 25419 1 49 . 1 1 7 7 TRP HZ3 H 1 7.251 0.002 . . . . . A 7 TRP HZ3 . 25419 1 50 . 1 1 7 7 TRP HH2 H 1 7.286 0.002 . . . . . A 7 TRP HH2 . 25419 1 51 . 1 1 8 8 LYS H H 1 8.354 0.002 . . . . . A 8 LYS H . 25419 1 52 . 1 1 8 8 LYS HA H 1 4.556 0.002 . . . . . A 8 LYS HA . 25419 1 53 . 1 1 8 8 LYS HB2 H 1 1.510 0.002 . . . . . A 8 LYS HB2 . 25419 1 54 . 1 1 8 8 LYS HB3 H 1 1.750 0.002 . . . . . A 8 LYS HB3 . 25419 1 55 . 1 1 8 8 LYS HG2 H 1 1.385 0.002 . . . . . A 8 LYS HG2 . 25419 1 56 . 1 1 8 8 LYS HG3 H 1 1.385 0.002 . . . . . A 8 LYS HG3 . 25419 1 57 . 1 1 8 8 LYS HD2 H 1 1.636 0.002 . . . . . A 8 LYS HD2 . 25419 1 58 . 1 1 8 8 LYS HD3 H 1 1.636 0.002 . . . . . A 8 LYS HD3 . 25419 1 59 . 1 1 8 8 LYS HE2 H 1 2.931 0.002 . . . . . A 8 LYS HE2 . 25419 1 60 . 1 1 8 8 LYS HE3 H 1 2.931 0.002 . . . . . A 8 LYS HE3 . 25419 1 61 . 1 1 9 9 CYS H H 1 8.173 0.002 . . . . . A 9 CYS H . 25419 1 62 . 1 1 9 9 CYS HA H 1 4.803 0.002 . . . . . A 9 CYS HA . 25419 1 63 . 1 1 9 9 CYS HB2 H 1 2.946 0.002 . . . . . A 9 CYS HB2 . 25419 1 64 . 1 1 9 9 CYS HB3 H 1 3.006 0.002 . . . . . A 9 CYS HB3 . 25419 1 65 . 1 1 10 10 ASN H H 1 9.087 0.002 . . . . . A 10 ASN H . 25419 1 66 . 1 1 10 10 ASN HA H 1 5.069 0.002 . . . . . A 10 ASN HA . 25419 1 67 . 1 1 10 10 ASN HB2 H 1 2.660 0.002 . . . . . A 10 ASN HB2 . 25419 1 68 . 1 1 10 10 ASN HB3 H 1 2.931 0.002 . . . . . A 10 ASN HB3 . 25419 1 69 . 1 1 10 10 ASN HD21 H 1 7.044 0.002 . . . . . A 10 ASN HD21 . 25419 1 70 . 1 1 10 10 ASN HD22 H 1 7.687 0.002 . . . . . A 10 ASN HD22 . 25419 1 71 . 1 1 11 11 PRO HA H 1 3.827 0.002 . . . . . A 11 PRO HA . 25419 1 72 . 1 1 11 11 PRO HB2 H 1 1.946 0.002 . . . . . A 11 PRO HB2 . 25419 1 73 . 1 1 11 11 PRO HB3 H 1 1.859 0.002 . . . . . A 11 PRO HB3 . 25419 1 74 . 1 1 11 11 PRO HG2 H 1 1.831 0.002 . . . . . A 11 PRO HG2 . 25419 1 75 . 1 1 11 11 PRO HG3 H 1 1.866 0.002 . . . . . A 11 PRO HG3 . 25419 1 76 . 1 1 11 11 PRO HD2 H 1 3.521 0.002 . . . . . A 11 PRO HD2 . 25419 1 77 . 1 1 11 11 PRO HD3 H 1 3.850 0.002 . . . . . A 11 PRO HD3 . 25419 1 78 . 1 1 12 12 ARG H H 1 7.640 0.002 . . . . . A 12 ARG H . 25419 1 79 . 1 1 12 12 ARG HA H 1 4.145 0.002 . . . . . A 12 ARG HA . 25419 1 80 . 1 1 12 12 ARG HB2 H 1 1.571 0.002 . . . . . A 12 ARG HB2 . 25419 1 81 . 1 1 12 12 ARG HB3 H 1 1.845 0.002 . . . . . A 12 ARG HB3 . 25419 1 82 . 1 1 12 12 ARG HG2 H 1 1.522 0.002 . . . . . A 12 ARG HG2 . 25419 1 83 . 1 1 12 12 ARG HG3 H 1 1.542 0.002 . . . . . A 12 ARG HG3 . 25419 1 84 . 1 1 12 12 ARG HD2 H 1 3.113 0.002 . . . . . A 12 ARG HD2 . 25419 1 85 . 1 1 12 12 ARG HD3 H 1 3.113 0.002 . . . . . A 12 ARG HD3 . 25419 1 86 . 1 1 12 12 ARG HE H 1 7.147 0.002 . . . . . A 12 ARG HE . 25419 1 87 . 1 1 13 13 ASN H H 1 7.325 0.002 . . . . . A 13 ASN H . 25419 1 88 . 1 1 13 13 ASN HA H 1 4.550 0.002 . . . . . A 13 ASN HA . 25419 1 89 . 1 1 13 13 ASN HB2 H 1 2.479 0.002 . . . . . A 13 ASN HB2 . 25419 1 90 . 1 1 13 13 ASN HB3 H 1 2.572 0.002 . . . . . A 13 ASN HB3 . 25419 1 91 . 1 1 13 13 ASN HD21 H 1 6.728 0.002 . . . . . A 13 ASN HD21 . 25419 1 92 . 1 1 13 13 ASN HD22 H 1 7.364 0.002 . . . . . A 13 ASN HD22 . 25419 1 93 . 1 1 14 14 ASP H H 1 8.572 0.002 . . . . . A 14 ASP H . 25419 1 94 . 1 1 14 14 ASP HA H 1 4.141 0.002 . . . . . A 14 ASP HA . 25419 1 95 . 1 1 14 14 ASP HB2 H 1 2.364 0.002 . . . . . A 14 ASP HB2 . 25419 1 96 . 1 1 14 14 ASP HB3 H 1 2.937 0.002 . . . . . A 14 ASP HB3 . 25419 1 97 . 1 1 15 15 LYS H H 1 7.978 0.002 . . . . . A 15 LYS H . 25419 1 98 . 1 1 15 15 LYS HA H 1 4.613 0.002 . . . . . A 15 LYS HA . 25419 1 99 . 1 1 15 15 LYS HB2 H 1 1.554 0.002 . . . . . A 15 LYS HB2 . 25419 1 100 . 1 1 15 15 LYS HB3 H 1 2.300 0.002 . . . . . A 15 LYS HB3 . 25419 1 101 . 1 1 15 15 LYS HG2 H 1 1.320 0.002 . . . . . A 15 LYS HG2 . 25419 1 102 . 1 1 15 15 LYS HG3 H 1 1.320 0.002 . . . . . A 15 LYS HG3 . 25419 1 103 . 1 1 15 15 LYS HD2 H 1 1.439 0.002 . . . . . A 15 LYS HD2 . 25419 1 104 . 1 1 15 15 LYS HD3 H 1 1.439 0.002 . . . . . A 15 LYS HD3 . 25419 1 105 . 1 1 15 15 LYS HE2 H 1 2.815 0.002 . . . . . A 15 LYS HE2 . 25419 1 106 . 1 1 15 15 LYS HE3 H 1 2.815 0.002 . . . . . A 15 LYS HE3 . 25419 1 107 . 1 1 15 15 LYS HZ1 H 1 7.389 0.002 . . . . . A 15 LYS HZ1 . 25419 1 108 . 1 1 15 15 LYS HZ2 H 1 7.389 0.002 . . . . . A 15 LYS HZ2 . 25419 1 109 . 1 1 15 15 LYS HZ3 H 1 7.389 0.002 . . . . . A 15 LYS HZ3 . 25419 1 110 . 1 1 16 16 CYS H H 1 9.266 0.002 . . . . . A 16 CYS H . 25419 1 111 . 1 1 16 16 CYS HA H 1 4.812 0.002 . . . . . A 16 CYS HA . 25419 1 112 . 1 1 16 16 CYS HB2 H 1 2.770 0.002 . . . . . A 16 CYS HB2 . 25419 1 113 . 1 1 16 16 CYS HB3 H 1 2.815 0.002 . . . . . A 16 CYS HB3 . 25419 1 114 . 1 1 17 17 CYS H H 1 9.389 0.002 . . . . . A 17 CYS H . 25419 1 115 . 1 1 17 17 CYS HA H 1 4.343 0.002 . . . . . A 17 CYS HA . 25419 1 116 . 1 1 17 17 CYS HB2 H 1 2.469 0.002 . . . . . A 17 CYS HB2 . 25419 1 117 . 1 1 17 17 CYS HB3 H 1 3.292 0.002 . . . . . A 17 CYS HB3 . 25419 1 118 . 1 1 18 18 SER H H 1 8.154 0.002 . . . . . A 18 SER H . 25419 1 119 . 1 1 18 18 SER HA H 1 4.162 0.002 . . . . . A 18 SER HA . 25419 1 120 . 1 1 18 18 SER HB2 H 1 3.758 0.002 . . . . . A 18 SER HB2 . 25419 1 121 . 1 1 18 18 SER HB3 H 1 3.758 0.002 . . . . . A 18 SER HB3 . 25419 1 122 . 1 1 19 19 GLY H H 1 8.800 0.002 . . . . . A 19 GLY H . 25419 1 123 . 1 1 19 19 GLY HA2 H 1 4.274 0.002 . . . . . A 19 GLY HA2 . 25419 1 124 . 1 1 19 19 GLY HA3 H 1 3.595 0.002 . . . . . A 19 GLY HA3 . 25419 1 125 . 1 1 20 20 LEU H H 1 8.238 0.002 . . . . . A 20 LEU H . 25419 1 126 . 1 1 20 20 LEU HA H 1 5.241 0.002 . . . . . A 20 LEU HA . 25419 1 127 . 1 1 20 20 LEU HB2 H 1 1.335 0.002 . . . . . A 20 LEU HB2 . 25419 1 128 . 1 1 20 20 LEU HB3 H 1 2.215 0.002 . . . . . A 20 LEU HB3 . 25419 1 129 . 1 1 20 20 LEU HG H 1 1.090 0.002 . . . . . A 20 LEU HG . 25419 1 130 . 1 1 20 20 LEU HD11 H 1 0.809 0.002 . . . . . A 20 LEU HD11 . 25419 1 131 . 1 1 20 20 LEU HD12 H 1 0.809 0.002 . . . . . A 20 LEU HD12 . 25419 1 132 . 1 1 20 20 LEU HD13 H 1 0.809 0.002 . . . . . A 20 LEU HD13 . 25419 1 133 . 1 1 20 20 LEU HD21 H 1 0.751 0.002 . . . . . A 20 LEU HD21 . 25419 1 134 . 1 1 20 20 LEU HD22 H 1 0.751 0.002 . . . . . A 20 LEU HD22 . 25419 1 135 . 1 1 20 20 LEU HD23 H 1 0.751 0.002 . . . . . A 20 LEU HD23 . 25419 1 136 . 1 1 21 21 LYS H H 1 9.074 0.002 . . . . . A 21 LYS H . 25419 1 137 . 1 1 21 21 LYS HA H 1 4.458 0.002 . . . . . A 21 LYS HA . 25419 1 138 . 1 1 21 21 LYS HB2 H 1 1.389 0.002 . . . . . A 21 LYS HB2 . 25419 1 139 . 1 1 21 21 LYS HB3 H 1 1.434 0.002 . . . . . A 21 LYS HB3 . 25419 1 140 . 1 1 21 21 LYS HG2 H 1 1.212 0.002 . . . . . A 21 LYS HG2 . 25419 1 141 . 1 1 21 21 LYS HG3 H 1 1.212 0.002 . . . . . A 21 LYS HG3 . 25419 1 142 . 1 1 21 21 LYS HD2 H 1 1.306 0.002 . . . . . A 21 LYS HD2 . 25419 1 143 . 1 1 21 21 LYS HD3 H 1 1.306 0.002 . . . . . A 21 LYS HD3 . 25419 1 144 . 1 1 21 21 LYS HE2 H 1 2.830 0.002 . . . . . A 21 LYS HE2 . 25419 1 145 . 1 1 21 21 LYS HE3 H 1 2.830 0.002 . . . . . A 21 LYS HE3 . 25419 1 146 . 1 1 22 22 CYS H H 1 10.197 0.002 . . . . . A 22 CYS H . 25419 1 147 . 1 1 22 22 CYS HA H 1 4.470 0.002 . . . . . A 22 CYS HA . 25419 1 148 . 1 1 22 22 CYS HB2 H 1 2.509 0.002 . . . . . A 22 CYS HB2 . 25419 1 149 . 1 1 22 22 CYS HB3 H 1 3.052 0.002 . . . . . A 22 CYS HB3 . 25419 1 150 . 1 1 23 23 GLY H H 1 8.304 0.002 . . . . . A 23 GLY H . 25419 1 151 . 1 1 23 23 GLY HA2 H 1 4.039 0.002 . . . . . A 23 GLY HA2 . 25419 1 152 . 1 1 23 23 GLY HA3 H 1 3.952 0.002 . . . . . A 23 GLY HA3 . 25419 1 153 . 1 1 24 24 SER H H 1 8.423 0.002 . . . . . A 24 SER H . 25419 1 154 . 1 1 24 24 SER HA H 1 4.043 0.002 . . . . . A 24 SER HA . 25419 1 155 . 1 1 24 24 SER HB2 H 1 3.788 0.002 . . . . . A 24 SER HB2 . 25419 1 156 . 1 1 24 24 SER HB3 H 1 3.870 0.002 . . . . . A 24 SER HB3 . 25419 1 157 . 1 1 25 25 ASN H H 1 8.302 0.002 . . . . . A 25 ASN H . 25419 1 158 . 1 1 25 25 ASN HA H 1 4.435 0.002 . . . . . A 25 ASN HA . 25419 1 159 . 1 1 25 25 ASN HB2 H 1 2.538 0.002 . . . . . A 25 ASN HB2 . 25419 1 160 . 1 1 25 25 ASN HB3 H 1 2.538 0.002 . . . . . A 25 ASN HB3 . 25419 1 161 . 1 1 25 25 ASN HD21 H 1 6.823 0.002 . . . . . A 25 ASN HD21 . 25419 1 162 . 1 1 25 25 ASN HD22 H 1 7.454 0.002 . . . . . A 25 ASN HD22 . 25419 1 163 . 1 1 26 26 HIS H H 1 7.541 0.002 . . . . . A 26 HIS H . 25419 1 164 . 1 1 26 26 HIS HA H 1 4.357 0.002 . . . . . A 26 HIS HA . 25419 1 165 . 1 1 26 26 HIS HB2 H 1 2.157 0.002 . . . . . A 26 HIS HB2 . 25419 1 166 . 1 1 26 26 HIS HB3 H 1 2.266 0.002 . . . . . A 26 HIS HB3 . 25419 1 167 . 1 1 26 26 HIS HD2 H 1 6.996 0.002 . . . . . A 26 HIS HD2 . 25419 1 168 . 1 1 26 26 HIS HE1 H 1 8.387 0.002 . . . . . A 26 HIS HE1 . 25419 1 169 . 1 1 27 27 ASN H H 1 8.406 0.002 . . . . . A 27 ASN H . 25419 1 170 . 1 1 27 27 ASN HA H 1 4.536 0.002 . . . . . A 27 ASN HA . 25419 1 171 . 1 1 27 27 ASN HB2 H 1 2.75 0.002 . . . . . A 27 ASN HB2 . 25419 1 172 . 1 1 27 27 ASN HB3 H 1 3.114 0.002 . . . . . A 27 ASN HB3 . 25419 1 173 . 1 1 27 27 ASN HD21 H 1 6.617 0.002 . . . . . A 27 ASN HD21 . 25419 1 174 . 1 1 27 27 ASN HD22 H 1 7.385 0.002 . . . . . A 27 ASN HD22 . 25419 1 175 . 1 1 28 28 TRP H H 1 8.085 0.002 . . . . . A 28 TRP H . 25419 1 176 . 1 1 28 28 TRP HA H 1 5.583 0.002 . . . . . A 28 TRP HA . 25419 1 177 . 1 1 28 28 TRP HB2 H 1 2.575 0.002 . . . . . A 28 TRP HB2 . 25419 1 178 . 1 1 28 28 TRP HB3 H 1 2.814 0.002 . . . . . A 28 TRP HB3 . 25419 1 179 . 1 1 28 28 TRP HD1 H 1 6.892 0.002 . . . . . A 28 TRP HD1 . 25419 1 180 . 1 1 28 28 TRP HE1 H 1 10.065 0.002 . . . . . A 28 TRP HE1 . 25419 1 181 . 1 1 28 28 TRP HE3 H 1 7.179 0.002 . . . . . A 28 TRP HE3 . 25419 1 182 . 1 1 28 28 TRP HZ2 H 1 7.228 0.002 . . . . . A 28 TRP HZ2 . 25419 1 183 . 1 1 28 28 TRP HZ3 H 1 6.857 0.002 . . . . . A 28 TRP HZ3 . 25419 1 184 . 1 1 28 28 TRP HH2 H 1 6.974 0.002 . . . . . A 28 TRP HH2 . 25419 1 185 . 1 1 29 29 CYS H H 1 8.582 0.002 . . . . . A 29 CYS H . 25419 1 186 . 1 1 29 29 CYS HA H 1 4.597 0.002 . . . . . A 29 CYS HA . 25419 1 187 . 1 1 29 29 CYS HB2 H 1 2.605 0.002 . . . . . A 29 CYS HB2 . 25419 1 188 . 1 1 29 29 CYS HB3 H 1 3.165 0.002 . . . . . A 29 CYS HB3 . 25419 1 189 . 1 1 30 30 LYS H H 1 8.899 0.002 . . . . . A 30 LYS H . 25419 1 190 . 1 1 30 30 LYS HA H 1 4.722 0.002 . . . . . A 30 LYS HA . 25419 1 191 . 1 1 30 30 LYS HB2 H 1 1.796 0.002 . . . . . A 30 LYS HB2 . 25419 1 192 . 1 1 30 30 LYS HB3 H 1 1.877 0.002 . . . . . A 30 LYS HB3 . 25419 1 193 . 1 1 30 30 LYS HG2 H 1 1.391 0.002 . . . . . A 30 LYS HG2 . 25419 1 194 . 1 1 30 30 LYS HG3 H 1 1.391 0.002 . . . . . A 30 LYS HG3 . 25419 1 195 . 1 1 30 30 LYS HD2 H 1 1.57 0.002 . . . . . A 30 LYS HD2 . 25419 1 196 . 1 1 30 30 LYS HD3 H 1 1.57 0.002 . . . . . A 30 LYS HD3 . 25419 1 197 . 1 1 30 30 LYS HE2 H 1 2.828 0.002 . . . . . A 30 LYS HE2 . 25419 1 198 . 1 1 30 30 LYS HE3 H 1 2.828 0.002 . . . . . A 30 LYS HE3 . 25419 1 199 . 1 1 31 31 LEU H H 1 8.377 0.002 . . . . . A 31 LEU H . 25419 1 200 . 1 1 31 31 LEU HA H 1 4.327 0.002 . . . . . A 31 LEU HA . 25419 1 201 . 1 1 31 31 LEU HB2 H 1 1.485 0.002 . . . . . A 31 LEU HB2 . 25419 1 202 . 1 1 31 31 LEU HB3 H 1 1.651 0.002 . . . . . A 31 LEU HB3 . 25419 1 203 . 1 1 31 31 LEU HG H 1 1.600 0.002 . . . . . A 31 LEU HG . 25419 1 204 . 1 1 31 31 LEU HD11 H 1 0.815 0.002 . . . . . A 31 LEU HD11 . 25419 1 205 . 1 1 31 31 LEU HD12 H 1 0.815 0.002 . . . . . A 31 LEU HD12 . 25419 1 206 . 1 1 31 31 LEU HD13 H 1 0.815 0.002 . . . . . A 31 LEU HD13 . 25419 1 207 . 1 1 31 31 LEU HD21 H 1 0.779 0.002 . . . . . A 31 LEU HD21 . 25419 1 208 . 1 1 31 31 LEU HD22 H 1 0.779 0.002 . . . . . A 31 LEU HD22 . 25419 1 209 . 1 1 31 31 LEU HD23 H 1 0.779 0.002 . . . . . A 31 LEU HD23 . 25419 1 210 . 1 1 32 32 HIS H H 1 8.347 0.002 . . . . . A 32 HIS H . 25419 1 211 . 1 1 32 32 HIS HA H 1 4.508 0.002 . . . . . A 32 HIS HA . 25419 1 212 . 1 1 32 32 HIS HB2 H 1 2.839 0.002 . . . . . A 32 HIS HB2 . 25419 1 213 . 1 1 32 32 HIS HB3 H 1 2.957 0.002 . . . . . A 32 HIS HB3 . 25419 1 214 . 1 1 32 32 HIS HD2 H 1 7.239 0.002 . . . . . A 32 HIS HD2 . 25419 1 215 . 1 1 33 33 LEU H H 1 8.065 0.002 . . . . . A 33 LEU H . 25419 1 216 . 1 1 33 33 LEU HA H 1 4.059 0.002 . . . . . A 33 LEU HA . 25419 1 217 . 1 1 33 33 LEU HB2 H 1 1.486 0.002 . . . . . A 33 LEU HB2 . 25419 1 218 . 1 1 33 33 LEU HB3 H 1 1.508 0.002 . . . . . A 33 LEU HB3 . 25419 1 219 . 1 1 33 33 LEU HG H 1 1.353 0.002 . . . . . A 33 LEU HG . 25419 1 220 . 1 1 33 33 LEU HD11 H 1 0.808 0.002 . . . . . A 33 LEU HD11 . 25419 1 221 . 1 1 33 33 LEU HD12 H 1 0.808 0.002 . . . . . A 33 LEU HD12 . 25419 1 222 . 1 1 33 33 LEU HD13 H 1 0.808 0.002 . . . . . A 33 LEU HD13 . 25419 1 223 . 1 1 33 33 LEU HD21 H 1 0.755 0.002 . . . . . A 33 LEU HD21 . 25419 1 224 . 1 1 33 33 LEU HD22 H 1 0.755 0.002 . . . . . A 33 LEU HD22 . 25419 1 225 . 1 1 33 33 LEU HD23 H 1 0.755 0.002 . . . . . A 33 LEU HD23 . 25419 1 stop_ save_