data_25472 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25472 _Entry.Title ; Solution Structure of mu-SLPTX-Ssm6a ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-02-06 _Entry.Accession_date 2015-02-06 _Entry.Last_release_date 2016-02-15 _Entry.Original_release_date 2016-02-15 _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 Jaehyun Kim . . . . 25472 2 'Jae Il' Kim . . . . 25472 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' . 25472 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Gating modifier' . 25472 'Sodium 1.7 channel' . 25472 mu-SLPTX-Ssm6a . 25472 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25472 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 233 25472 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-02-15 . original BMRB . 25472 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MZ4 'BMRB Entry Tracking System' 25472 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25472 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution Structure of mu-SLPTX-Ssm6a, a Gating Modifier of human Nav1.7 channels ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Jae hyun' Kim . . . . 25472 1 2 'Jae Il' Kim . . . . 25472 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25472 _Assembly.ID 1 _Assembly.Name mu-SLPTX-Ssm6a _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 . . . 25472 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 5 5 SG . 1 . 1 CYS 32 32 SG . . . . . . . . . . 25472 1 2 disulfide single . 1 . 1 CYS 15 15 SG . 1 . 1 CYS 31 31 SG . . . . . . . . . . 25472 1 3 disulfide single . 1 . 1 CYS 18 18 SG . 1 . 1 CYS 41 41 SG . . . . . . . . . . 25472 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25472 _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 ; ADNKCENSLRREIACGQCRD KVKTDGYFYECCTSDSTFKK CQDLLH ; _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 46 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5333.025 _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 ALA . 25472 1 2 2 ASP . 25472 1 3 3 ASN . 25472 1 4 4 LYS . 25472 1 5 5 CYS . 25472 1 6 6 GLU . 25472 1 7 7 ASN . 25472 1 8 8 SER . 25472 1 9 9 LEU . 25472 1 10 10 ARG . 25472 1 11 11 ARG . 25472 1 12 12 GLU . 25472 1 13 13 ILE . 25472 1 14 14 ALA . 25472 1 15 15 CYS . 25472 1 16 16 GLY . 25472 1 17 17 GLN . 25472 1 18 18 CYS . 25472 1 19 19 ARG . 25472 1 20 20 ASP . 25472 1 21 21 LYS . 25472 1 22 22 VAL . 25472 1 23 23 LYS . 25472 1 24 24 THR . 25472 1 25 25 ASP . 25472 1 26 26 GLY . 25472 1 27 27 TYR . 25472 1 28 28 PHE . 25472 1 29 29 TYR . 25472 1 30 30 GLU . 25472 1 31 31 CYS . 25472 1 32 32 CYS . 25472 1 33 33 THR . 25472 1 34 34 SER . 25472 1 35 35 ASP . 25472 1 36 36 SER . 25472 1 37 37 THR . 25472 1 38 38 PHE . 25472 1 39 39 LYS . 25472 1 40 40 LYS . 25472 1 41 41 CYS . 25472 1 42 42 GLN . 25472 1 43 43 ASP . 25472 1 44 44 LEU . 25472 1 45 45 LEU . 25472 1 46 46 HIS . 25472 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 . ALA 1 1 25472 1 . ASP 2 2 25472 1 . ASN 3 3 25472 1 . LYS 4 4 25472 1 . CYS 5 5 25472 1 . GLU 6 6 25472 1 . ASN 7 7 25472 1 . SER 8 8 25472 1 . LEU 9 9 25472 1 . ARG 10 10 25472 1 . ARG 11 11 25472 1 . GLU 12 12 25472 1 . ILE 13 13 25472 1 . ALA 14 14 25472 1 . CYS 15 15 25472 1 . GLY 16 16 25472 1 . GLN 17 17 25472 1 . CYS 18 18 25472 1 . ARG 19 19 25472 1 . ASP 20 20 25472 1 . LYS 21 21 25472 1 . VAL 22 22 25472 1 . LYS 23 23 25472 1 . THR 24 24 25472 1 . ASP 25 25 25472 1 . GLY 26 26 25472 1 . TYR 27 27 25472 1 . PHE 28 28 25472 1 . TYR 29 29 25472 1 . GLU 30 30 25472 1 . CYS 31 31 25472 1 . CYS 32 32 25472 1 . THR 33 33 25472 1 . SER 34 34 25472 1 . ASP 35 35 25472 1 . SER 36 36 25472 1 . THR 37 37 25472 1 . PHE 38 38 25472 1 . LYS 39 39 25472 1 . LYS 40 40 25472 1 . CYS 41 41 25472 1 . GLN 42 42 25472 1 . ASP 43 43 25472 1 . LEU 44 44 25472 1 . LEU 45 45 25472 1 . HIS 46 46 25472 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 25472 _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 . 55038 organism . 'Scolopendra subspinipes' centipede . . Eukaryota Metazoa Scolopendra subspinipes . . . . . . . . . . . . . 25472 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 25472 _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' 'scolopendra subspinipes mutilans' . . . . . . . . . . . . . . . 25472 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25472 _Sample.ID 1 _Sample.Type 'lyophilized powder' _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 . . 1.0 . . mM . . . . 25472 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25472 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25472 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 25472 _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 25472 1 pH 3.7 . pH 25472 1 pressure 1 . atm 25472 1 temperature 298 . K 25472 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25472 _Software.ID 1 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25472 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25472 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 25472 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _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 25472 _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 . . . 25472 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 25472 _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 NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25472 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25472 1 3 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25472 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 25472 _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 TSP 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 25472 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 25472 _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 NOESY' . . . 25472 1 2 '2D 1H-1H TOCSY' . . . 25472 1 3 '2D DQF-COSY' . . . 25472 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 ASP H H 1 8.6184 0.01 . 1 . . . A 2 ASP H . 25472 1 2 . 1 1 2 2 ASP HA H 1 4.4558 0.01 . 1 . . . A 2 ASP HA . 25472 1 3 . 1 1 2 2 ASP HB2 H 1 2.5052 0.01 . 2 . . . A 2 ASP HB2 . 25472 1 4 . 1 1 2 2 ASP HB3 H 1 2.4456 0.01 . 2 . . . A 2 ASP HB3 . 25472 1 5 . 1 1 3 3 ASN H H 1 8.4473 0.01 . 1 . . . A 3 ASN H . 25472 1 6 . 1 1 3 3 ASN HA H 1 4.1870 0.01 . 1 . . . A 3 ASN HA . 25472 1 7 . 1 1 3 3 ASN HB2 H 1 2.8413 0.01 . 2 . . . A 3 ASN HB2 . 25472 1 8 . 1 1 3 3 ASN HB3 H 1 2.4910 0.01 . 2 . . . A 3 ASN HB3 . 25472 1 9 . 1 1 4 4 LYS H H 1 8.1448 0.01 . 1 . . . A 4 LYS H . 25472 1 10 . 1 1 4 4 LYS HA H 1 4.0783 0.01 . 1 . . . A 4 LYS HA . 25472 1 11 . 1 1 4 4 LYS HB2 H 1 1.8027 0.01 . 2 . . . A 4 LYS HB2 . 25472 1 12 . 1 1 4 4 LYS HB3 H 1 1.4019 0.01 . 2 . . . A 4 LYS HB3 . 25472 1 13 . 1 1 4 4 LYS HG2 H 1 1.3962 0.01 . 2 . . . A 4 LYS HG2 . 25472 1 14 . 1 1 4 4 LYS HG3 H 1 1.5971 0.01 . 2 . . . A 4 LYS HG3 . 25472 1 15 . 1 1 5 5 CYS H H 1 8.0632 0.01 . 1 . . . A 5 CYS H . 25472 1 16 . 1 1 5 5 CYS HA H 1 3.5696 0.01 . 1 . . . A 5 CYS HA . 25472 1 17 . 1 1 5 5 CYS HB2 H 1 3.0723 0.01 . 2 . . . A 5 CYS HB2 . 25472 1 18 . 1 1 6 6 GLU H H 1 6.9539 0.01 . 1 . . . A 6 GLU H . 25472 1 19 . 1 1 6 6 GLU HA H 1 3.3299 0.01 . 1 . . . A 6 GLU HA . 25472 1 20 . 1 1 6 6 GLU HB2 H 1 2.2104 0.01 . 2 . . . A 6 GLU HB2 . 25472 1 21 . 1 1 6 6 GLU HG2 H 1 1.9401 0.01 . 2 . . . A 6 GLU HG2 . 25472 1 22 . 1 1 6 6 GLU HG3 H 1 1.8684 0.01 . 2 . . . A 6 GLU HG3 . 25472 1 23 . 1 1 7 7 ASN H H 1 7.1286 0.01 . 1 . . . A 7 ASN H . 25472 1 24 . 1 1 7 7 ASN HA H 1 4.7942 0.01 . 1 . . . A 7 ASN HA . 25472 1 25 . 1 1 7 7 ASN HB2 H 1 2.7508 0.01 . 2 . . . A 7 ASN HB2 . 25472 1 26 . 1 1 7 7 ASN HB3 H 1 2.6081 0.01 . 2 . . . A 7 ASN HB3 . 25472 1 27 . 1 1 8 8 SER H H 1 6.9451 0.01 . 1 . . . A 8 SER H . 25472 1 28 . 1 1 8 8 SER HA H 1 4.6482 0.01 . 1 . . . A 8 SER HA . 25472 1 29 . 1 1 8 8 SER HB2 H 1 3.6622 0.01 . 2 . . . A 8 SER HB2 . 25472 1 30 . 1 1 9 9 LEU H H 1 8.6721 0.01 . 1 . . . A 9 LEU H . 25472 1 31 . 1 1 9 9 LEU HA H 1 4.2155 0.01 . 1 . . . A 9 LEU HA . 25472 1 32 . 1 1 9 9 LEU HB2 H 1 1.5796 0.01 . 2 . . . A 9 LEU HB2 . 25472 1 33 . 1 1 9 9 LEU HB3 H 1 1.5716 0.01 . 2 . . . A 9 LEU HB3 . 25472 1 34 . 1 1 9 9 LEU HD11 H 1 0.8712 0.01 . 2 . . . A 9 LEU HD11 . 25472 1 35 . 1 1 9 9 LEU HD12 H 1 0.8712 0.01 . 2 . . . A 9 LEU HD12 . 25472 1 36 . 1 1 9 9 LEU HD13 H 1 0.8712 0.01 . 2 . . . A 9 LEU HD13 . 25472 1 37 . 1 1 9 9 LEU HD21 H 1 0.8533 0.01 . 2 . . . A 9 LEU HD21 . 25472 1 38 . 1 1 9 9 LEU HD22 H 1 0.8533 0.01 . 2 . . . A 9 LEU HD22 . 25472 1 39 . 1 1 9 9 LEU HD23 H 1 0.8533 0.01 . 2 . . . A 9 LEU HD23 . 25472 1 40 . 1 1 10 10 ARG H H 1 8.2007 0.01 . 1 . . . A 10 ARG H . 25472 1 41 . 1 1 10 10 ARG HA H 1 3.9053 0.01 . 1 . . . A 10 ARG HA . 25472 1 42 . 1 1 10 10 ARG HB2 H 1 1.7561 0.01 . 2 . . . A 10 ARG HB2 . 25472 1 43 . 1 1 10 10 ARG HB3 H 1 1.9508 0.01 . 2 . . . A 10 ARG HB3 . 25472 1 44 . 1 1 10 10 ARG HG2 H 1 1.6748 0.01 . 2 . . . A 10 ARG HG2 . 25472 1 45 . 1 1 10 10 ARG HG3 H 1 1.5894 0.01 . 2 . . . A 10 ARG HG3 . 25472 1 46 . 1 1 11 11 ARG H H 1 7.4854 0.01 . 1 . . . A 11 ARG H . 25472 1 47 . 1 1 11 11 ARG HA H 1 3.7619 0.01 . 1 . . . A 11 ARG HA . 25472 1 48 . 1 1 11 11 ARG HB2 H 1 1.6744 0.01 . 2 . . . A 11 ARG HB2 . 25472 1 49 . 1 1 11 11 ARG HG2 H 1 1.1938 0.01 . 2 . . . A 11 ARG HG2 . 25472 1 50 . 1 1 11 11 ARG HG3 H 1 1.1263 0.01 . 2 . . . A 11 ARG HG3 . 25472 1 51 . 1 1 12 12 GLU H H 1 8.0895 0.01 . 1 . . . A 12 GLU H . 25472 1 52 . 1 1 12 12 GLU HA H 1 4.1952 0.01 . 1 . . . A 12 GLU HA . 25472 1 53 . 1 1 12 12 GLU HB2 H 1 2.4551 0.01 . 2 . . . A 12 GLU HB2 . 25472 1 54 . 1 1 13 13 ILE H H 1 8.8286 0.01 . 1 . . . A 13 ILE H . 25472 1 55 . 1 1 13 13 ILE HA H 1 3.7198 0.01 . 1 . . . A 13 ILE HA . 25472 1 56 . 1 1 13 13 ILE HB H 1 1.8059 0.01 . 1 . . . A 13 ILE HB . 25472 1 57 . 1 1 13 13 ILE HG12 H 1 1.4451 0.01 . 2 . . . A 13 ILE HG12 . 25472 1 58 . 1 1 13 13 ILE HG13 H 1 0.8610 0.01 . 2 . . . A 13 ILE HG13 . 25472 1 59 . 1 1 13 13 ILE HG21 H 1 1.1544 0.01 . 1 . . . A 13 ILE HG21 . 25472 1 60 . 1 1 13 13 ILE HG22 H 1 1.1544 0.01 . 1 . . . A 13 ILE HG22 . 25472 1 61 . 1 1 13 13 ILE HG23 H 1 1.1544 0.01 . 1 . . . A 13 ILE HG23 . 25472 1 62 . 1 1 13 13 ILE HD11 H 1 0.7743 0.01 . 1 . . . A 13 ILE HD11 . 25472 1 63 . 1 1 13 13 ILE HD12 H 1 0.7743 0.01 . 1 . . . A 13 ILE HD12 . 25472 1 64 . 1 1 13 13 ILE HD13 H 1 0.7743 0.01 . 1 . . . A 13 ILE HD13 . 25472 1 65 . 1 1 14 14 ALA H H 1 8.0498 0.01 . 1 . . . A 14 ALA H . 25472 1 66 . 1 1 14 14 ALA HA H 1 4.2180 0.01 . 1 . . . A 14 ALA HA . 25472 1 67 . 1 1 14 14 ALA HB1 H 1 1.6266 0.01 . 1 . . . A 14 ALA HB1 . 25472 1 68 . 1 1 14 14 ALA HB2 H 1 1.6266 0.01 . 1 . . . A 14 ALA HB2 . 25472 1 69 . 1 1 14 14 ALA HB3 H 1 1.6266 0.01 . 1 . . . A 14 ALA HB3 . 25472 1 70 . 1 1 15 15 CYS H H 1 9.1064 0.01 . 1 . . . A 15 CYS H . 25472 1 71 . 1 1 15 15 CYS HA H 1 5.0299 0.01 . 1 . . . A 15 CYS HA . 25472 1 72 . 1 1 15 15 CYS HB2 H 1 2.9438 0.01 . 2 . . . A 15 CYS HB2 . 25472 1 73 . 1 1 15 15 CYS HB3 H 1 2.7725 0.01 . 2 . . . A 15 CYS HB3 . 25472 1 74 . 1 1 16 16 GLY H H 1 8.5452 0.01 . 1 . . . A 16 GLY H . 25472 1 75 . 1 1 16 16 GLY HA2 H 1 4.0779 0.01 . 2 . . . A 16 GLY HA2 . 25472 1 76 . 1 1 16 16 GLY HA3 H 1 3.8013 0.01 . 2 . . . A 16 GLY HA3 . 25472 1 77 . 1 1 17 17 GLN H H 1 8.0315 0.01 . 1 . . . A 17 GLN H . 25472 1 78 . 1 1 17 17 GLN HA H 1 4.1531 0.01 . 1 . . . A 17 GLN HA . 25472 1 79 . 1 1 17 17 GLN HB2 H 1 2.0796 0.01 . 2 . . . A 17 GLN HB2 . 25472 1 80 . 1 1 17 17 GLN HB3 H 1 2.3558 0.01 . 2 . . . A 17 GLN HB3 . 25472 1 81 . 1 1 17 17 GLN HG2 H 1 2.5615 0.01 . 2 . . . A 17 GLN HG2 . 25472 1 82 . 1 1 17 17 GLN HG3 H 1 2.5045 0.01 . 2 . . . A 17 GLN HG3 . 25472 1 83 . 1 1 18 18 CYS H H 1 9.2666 0.01 . 1 . . . A 18 CYS H . 25472 1 84 . 1 1 18 18 CYS HA H 1 3.6264 0.01 . 1 . . . A 18 CYS HA . 25472 1 85 . 1 1 18 18 CYS HB2 H 1 3.2025 0.01 . 2 . . . A 18 CYS HB2 . 25472 1 86 . 1 1 18 18 CYS HB3 H 1 3.2197 0.01 . 2 . . . A 18 CYS HB3 . 25472 1 87 . 1 1 19 19 ARG H H 1 8.7708 0.01 . 1 . . . A 19 ARG H . 25472 1 88 . 1 1 19 19 ARG HA H 1 3.7693 0.01 . 1 . . . A 19 ARG HA . 25472 1 89 . 1 1 19 19 ARG HB2 H 1 2.2922 0.01 . 2 . . . A 19 ARG HB2 . 25472 1 90 . 1 1 19 19 ARG HB3 H 1 2.1470 0.01 . 2 . . . A 19 ARG HB3 . 25472 1 91 . 1 1 19 19 ARG HG2 H 1 1.8778 0.01 . 2 . . . A 19 ARG HG2 . 25472 1 92 . 1 1 19 19 ARG HG3 H 1 1.6052 0.01 . 2 . . . A 19 ARG HG3 . 25472 1 93 . 1 1 19 19 ARG HD2 H 1 3.2262 0.01 . 2 . . . A 19 ARG HD2 . 25472 1 94 . 1 1 19 19 ARG HE H 1 6.7365 0.01 . 1 . . . A 19 ARG HE . 25472 1 95 . 1 1 20 20 ASP H H 1 7.4622 0.01 . 1 . . . A 20 ASP H . 25472 1 96 . 1 1 20 20 ASP HA H 1 4.3867 0.01 . 1 . . . A 20 ASP HA . 25472 1 97 . 1 1 20 20 ASP HB2 H 1 2.7162 0.01 . 2 . . . A 20 ASP HB2 . 25472 1 98 . 1 1 21 21 LYS H H 1 7.2977 0.01 . 1 . . . A 21 LYS H . 25472 1 99 . 1 1 21 21 LYS HA H 1 4.1984 0.01 . 1 . . . A 21 LYS HA . 25472 1 100 . 1 1 21 21 LYS HB2 H 1 1.8209 0.01 . 2 . . . A 21 LYS HB2 . 25472 1 101 . 1 1 21 21 LYS HB3 H 1 1.7088 0.01 . 2 . . . A 21 LYS HB3 . 25472 1 102 . 1 1 21 21 LYS HG2 H 1 1.3679 0.01 . 2 . . . A 21 LYS HG2 . 25472 1 103 . 1 1 21 21 LYS HG3 H 1 1.4473 0.01 . 2 . . . A 21 LYS HG3 . 25472 1 104 . 1 1 21 21 LYS HD2 H 1 1.7035 0.01 . 2 . . . A 21 LYS HD2 . 25472 1 105 . 1 1 22 22 VAL H H 1 8.0511 0.01 . 1 . . . A 22 VAL H . 25472 1 106 . 1 1 22 22 VAL HA H 1 3.7110 0.01 . 1 . . . A 22 VAL HA . 25472 1 107 . 1 1 22 22 VAL HB H 1 1.2583 0.01 . 1 . . . A 22 VAL HB . 25472 1 108 . 1 1 22 22 VAL HG11 H 1 1.2585 0.01 . 2 . . . A 22 VAL HG11 . 25472 1 109 . 1 1 22 22 VAL HG12 H 1 1.2585 0.01 . 2 . . . A 22 VAL HG12 . 25472 1 110 . 1 1 22 22 VAL HG13 H 1 1.2585 0.01 . 2 . . . A 22 VAL HG13 . 25472 1 111 . 1 1 22 22 VAL HG21 H 1 0.4121 0.01 . 2 . . . A 22 VAL HG21 . 25472 1 112 . 1 1 22 22 VAL HG22 H 1 0.4121 0.01 . 2 . . . A 22 VAL HG22 . 25472 1 113 . 1 1 22 22 VAL HG23 H 1 0.4121 0.01 . 2 . . . A 22 VAL HG23 . 25472 1 114 . 1 1 23 23 LYS H H 1 8.1123 0.01 . 1 . . . A 23 LYS H . 25472 1 115 . 1 1 23 23 LYS HA H 1 3.9649 0.01 . 1 . . . A 23 LYS HA . 25472 1 116 . 1 1 23 23 LYS HB2 H 1 1.8428 0.01 . 2 . . . A 23 LYS HB2 . 25472 1 117 . 1 1 23 23 LYS HB3 H 1 1.6108 0.01 . 2 . . . A 23 LYS HB3 . 25472 1 118 . 1 1 23 23 LYS HG2 H 1 1.2431 0.01 . 2 . . . A 23 LYS HG2 . 25472 1 119 . 1 1 23 23 LYS HG3 H 1 1.0821 0.01 . 2 . . . A 23 LYS HG3 . 25472 1 120 . 1 1 23 23 LYS HD3 H 1 1.2517 0.01 . 2 . . . A 23 LYS HD3 . 25472 1 121 . 1 1 24 24 THR H H 1 7.2548 0.01 . 1 . . . A 24 THR H . 25472 1 122 . 1 1 24 24 THR HA H 1 4.3847 0.01 . 1 . . . A 24 THR HA . 25472 1 123 . 1 1 24 24 THR HB H 1 4.1181 0.01 . 1 . . . A 24 THR HB . 25472 1 124 . 1 1 24 24 THR HG21 H 1 1.1984 0.01 . 1 . . . A 24 THR HG21 . 25472 1 125 . 1 1 24 24 THR HG22 H 1 1.1984 0.01 . 1 . . . A 24 THR HG22 . 25472 1 126 . 1 1 24 24 THR HG23 H 1 1.1984 0.01 . 1 . . . A 24 THR HG23 . 25472 1 127 . 1 1 25 25 ASP H H 1 8.9089 0.01 . 1 . . . A 25 ASP H . 25472 1 128 . 1 1 25 25 ASP HA H 1 4.3994 0.01 . 1 . . . A 25 ASP HA . 25472 1 129 . 1 1 25 25 ASP HB3 H 1 2.6277 0.01 . 2 . . . A 25 ASP HB3 . 25472 1 130 . 1 1 26 26 GLY H H 1 8.9482 0.01 . 1 . . . A 26 GLY H . 25472 1 131 . 1 1 26 26 GLY HA2 H 1 4.1058 0.01 . 2 . . . A 26 GLY HA2 . 25472 1 132 . 1 1 26 26 GLY HA3 H 1 3.9434 0.01 . 2 . . . A 26 GLY HA3 . 25472 1 133 . 1 1 27 27 TYR H H 1 7.6603 0.01 . 1 . . . A 27 TYR H . 25472 1 134 . 1 1 27 27 TYR HA H 1 3.7699 0.01 . 1 . . . A 27 TYR HA . 25472 1 135 . 1 1 27 27 TYR HB2 H 1 3.2539 0.01 . 2 . . . A 27 TYR HB2 . 25472 1 136 . 1 1 27 27 TYR HB3 H 1 2.7126 0.01 . 2 . . . A 27 TYR HB3 . 25472 1 137 . 1 1 28 28 PHE H H 1 9.1314 0.01 . 1 . . . A 28 PHE H . 25472 1 138 . 1 1 28 28 PHE HA H 1 3.8482 0.01 . 1 . . . A 28 PHE HA . 25472 1 139 . 1 1 28 28 PHE HB2 H 1 3.0564 0.01 . 2 . . . A 28 PHE HB2 . 25472 1 140 . 1 1 29 29 TYR H H 1 8.2634 0.01 . 1 . . . A 29 TYR H . 25472 1 141 . 1 1 29 29 TYR HA H 1 3.6662 0.01 . 1 . . . A 29 TYR HA . 25472 1 142 . 1 1 29 29 TYR HB2 H 1 3.0753 0.01 . 2 . . . A 29 TYR HB2 . 25472 1 143 . 1 1 29 29 TYR HB3 H 1 2.8826 0.01 . 2 . . . A 29 TYR HB3 . 25472 1 144 . 1 1 30 30 GLU H H 1 7.6231 0.01 . 1 . . . A 30 GLU H . 25472 1 145 . 1 1 30 30 GLU HA H 1 3.5494 0.01 . 1 . . . A 30 GLU HA . 25472 1 146 . 1 1 30 30 GLU HB2 H 1 1.8688 0.01 . 2 . . . A 30 GLU HB2 . 25472 1 147 . 1 1 30 30 GLU HB3 H 1 1.9514 0.01 . 2 . . . A 30 GLU HB3 . 25472 1 148 . 1 1 30 30 GLU HG2 H 1 2.3409 0.01 . 2 . . . A 30 GLU HG2 . 25472 1 149 . 1 1 30 30 GLU HG3 H 1 2.1930 0.01 . 2 . . . A 30 GLU HG3 . 25472 1 150 . 1 1 31 31 CYS H H 1 8.7550 0.01 . 1 . . . A 31 CYS H . 25472 1 151 . 1 1 31 31 CYS HA H 1 3.5902 0.01 . 1 . . . A 31 CYS HA . 25472 1 152 . 1 1 31 31 CYS HB2 H 1 2.9428 0.01 . 2 . . . A 31 CYS HB2 . 25472 1 153 . 1 1 31 31 CYS HB3 H 1 2.2932 0.01 . 2 . . . A 31 CYS HB3 . 25472 1 154 . 1 1 32 32 CYS H H 1 8.0148 0.01 . 1 . . . A 32 CYS H . 25472 1 155 . 1 1 32 32 CYS HA H 1 3.8373 0.01 . 1 . . . A 32 CYS HA . 25472 1 156 . 1 1 32 32 CYS HB2 H 1 2.9310 0.01 . 2 . . . A 32 CYS HB2 . 25472 1 157 . 1 1 32 32 CYS HB3 H 1 2.4576 0.01 . 2 . . . A 32 CYS HB3 . 25472 1 158 . 1 1 33 33 THR H H 1 7.1598 0.01 . 1 . . . A 33 THR H . 25472 1 159 . 1 1 33 33 THR HA H 1 4.5151 0.01 . 1 . . . A 33 THR HA . 25472 1 160 . 1 1 33 33 THR HB H 1 3.7423 0.01 . 1 . . . A 33 THR HB . 25472 1 161 . 1 1 33 33 THR HG21 H 1 0.4929 0.01 . 1 . . . A 33 THR HG21 . 25472 1 162 . 1 1 33 33 THR HG22 H 1 0.4929 0.01 . 1 . . . A 33 THR HG22 . 25472 1 163 . 1 1 33 33 THR HG23 H 1 0.4929 0.01 . 1 . . . A 33 THR HG23 . 25472 1 164 . 1 1 34 34 SER H H 1 8.4586 0.01 . 1 . . . A 34 SER H . 25472 1 165 . 1 1 34 34 SER HA H 1 4.7905 0.01 . 1 . . . A 34 SER HA . 25472 1 166 . 1 1 34 34 SER HB2 H 1 3.9637 0.01 . 2 . . . A 34 SER HB2 . 25472 1 167 . 1 1 34 34 SER HB3 H 1 3.7639 0.01 . 2 . . . A 34 SER HB3 . 25472 1 168 . 1 1 35 35 ASP H H 1 9.3951 0.01 . 1 . . . A 35 ASP H . 25472 1 169 . 1 1 35 35 ASP HA H 1 4.4467 0.01 . 1 . . . A 35 ASP HA . 25472 1 170 . 1 1 35 35 ASP HB2 H 1 2.7611 0.01 . 2 . . . A 35 ASP HB2 . 25472 1 171 . 1 1 35 35 ASP HB3 H 1 2.6659 0.01 . 2 . . . A 35 ASP HB3 . 25472 1 172 . 1 1 36 36 SER H H 1 8.4107 0.01 . 1 . . . A 36 SER H . 25472 1 173 . 1 1 36 36 SER HA H 1 4.1966 0.01 . 1 . . . A 36 SER HA . 25472 1 174 . 1 1 36 36 SER HB2 H 1 3.7792 0.01 . 2 . . . A 36 SER HB2 . 25472 1 175 . 1 1 36 36 SER HB3 H 1 3.7761 0.01 . 2 . . . A 36 SER HB3 . 25472 1 176 . 1 1 37 37 THR H H 1 7.6679 0.01 . 1 . . . A 37 THR H . 25472 1 177 . 1 1 37 37 THR HA H 1 3.9810 0.01 . 1 . . . A 37 THR HA . 25472 1 178 . 1 1 37 37 THR HB H 1 3.8552 0.01 . 1 . . . A 37 THR HB . 25472 1 179 . 1 1 37 37 THR HG21 H 1 0.8689 0.01 . 1 . . . A 37 THR HG21 . 25472 1 180 . 1 1 37 37 THR HG22 H 1 0.8689 0.01 . 1 . . . A 37 THR HG22 . 25472 1 181 . 1 1 37 37 THR HG23 H 1 0.8689 0.01 . 1 . . . A 37 THR HG23 . 25472 1 182 . 1 1 38 38 PHE H H 1 8.4126 0.01 . 1 . . . A 38 PHE H . 25472 1 183 . 1 1 38 38 PHE HA H 1 4.5921 0.01 . 1 . . . A 38 PHE HA . 25472 1 184 . 1 1 38 38 PHE HB2 H 1 2.8749 0.01 . 2 . . . A 38 PHE HB2 . 25472 1 185 . 1 1 38 38 PHE HB3 H 1 2.8734 0.01 . 2 . . . A 38 PHE HB3 . 25472 1 186 . 1 1 39 39 LYS H H 1 8.1896 0.01 . 1 . . . A 39 LYS H . 25472 1 187 . 1 1 39 39 LYS HA H 1 3.7108 0.01 . 1 . . . A 39 LYS HA . 25472 1 188 . 1 1 39 39 LYS HB2 H 1 1.8366 0.01 . 2 . . . A 39 LYS HB2 . 25472 1 189 . 1 1 39 39 LYS HG2 H 1 1.3891 0.01 . 2 . . . A 39 LYS HG2 . 25472 1 190 . 1 1 40 40 LYS H H 1 7.2512 0.01 . 1 . . . A 40 LYS H . 25472 1 191 . 1 1 40 40 LYS HA H 1 4.0312 0.01 . 1 . . . A 40 LYS HA . 25472 1 192 . 1 1 40 40 LYS HB2 H 1 1.8769 0.01 . 2 . . . A 40 LYS HB2 . 25472 1 193 . 1 1 40 40 LYS HB3 H 1 1.9367 0.01 . 2 . . . A 40 LYS HB3 . 25472 1 194 . 1 1 40 40 LYS HG2 H 1 1.5897 0.01 . 2 . . . A 40 LYS HG2 . 25472 1 195 . 1 1 40 40 LYS HG3 H 1 1.4483 0.01 . 2 . . . A 40 LYS HG3 . 25472 1 196 . 1 1 41 41 CYS H H 1 8.1751 0.01 . 1 . . . A 41 CYS H . 25472 1 197 . 1 1 41 41 CYS HA H 1 4.5244 0.01 . 1 . . . A 41 CYS HA . 25472 1 198 . 1 1 41 41 CYS HB2 H 1 3.6451 0.01 . 2 . . . A 41 CYS HB2 . 25472 1 199 . 1 1 41 41 CYS HB3 H 1 3.1745 0.01 . 2 . . . A 41 CYS HB3 . 25472 1 200 . 1 1 42 42 GLN H H 1 8.0730 0.01 . 1 . . . A 42 GLN H . 25472 1 201 . 1 1 42 42 GLN HA H 1 3.6521 0.01 . 1 . . . A 42 GLN HA . 25472 1 202 . 1 1 42 42 GLN HB2 H 1 1.5813 0.01 . 2 . . . A 42 GLN HB2 . 25472 1 203 . 1 1 42 42 GLN HB3 H 1 1.5789 0.01 . 2 . . . A 42 GLN HB3 . 25472 1 204 . 1 1 42 42 GLN HG2 H 1 1.9121 0.01 . 2 . . . A 42 GLN HG2 . 25472 1 205 . 1 1 43 43 ASP H H 1 7.5667 0.01 . 1 . . . A 43 ASP H . 25472 1 206 . 1 1 43 43 ASP HA H 1 4.2669 0.01 . 1 . . . A 43 ASP HA . 25472 1 207 . 1 1 43 43 ASP HB2 H 1 2.7258 0.01 . 2 . . . A 43 ASP HB2 . 25472 1 208 . 1 1 43 43 ASP HB3 H 1 2.6427 0.01 . 2 . . . A 43 ASP HB3 . 25472 1 209 . 1 1 44 44 LEU H H 1 7.8267 0.01 . 1 . . . A 44 LEU H . 25472 1 210 . 1 1 44 44 LEU HA H 1 4.1266 0.01 . 1 . . . A 44 LEU HA . 25472 1 211 . 1 1 44 44 LEU HB3 H 1 1.9725 0.01 . 2 . . . A 44 LEU HB3 . 25472 1 212 . 1 1 44 44 LEU HG H 1 1.7773 0.01 . 1 . . . A 44 LEU HG . 25472 1 213 . 1 1 44 44 LEU HD11 H 1 1.2404 0.01 . 2 . . . A 44 LEU HD11 . 25472 1 214 . 1 1 44 44 LEU HD12 H 1 1.2404 0.01 . 2 . . . A 44 LEU HD12 . 25472 1 215 . 1 1 44 44 LEU HD13 H 1 1.2404 0.01 . 2 . . . A 44 LEU HD13 . 25472 1 216 . 1 1 44 44 LEU HD21 H 1 1.3901 0.01 . 2 . . . A 44 LEU HD21 . 25472 1 217 . 1 1 44 44 LEU HD22 H 1 1.3901 0.01 . 2 . . . A 44 LEU HD22 . 25472 1 218 . 1 1 44 44 LEU HD23 H 1 1.3901 0.01 . 2 . . . A 44 LEU HD23 . 25472 1 219 . 1 1 45 45 LEU H H 1 7.3492 0.01 . 1 . . . A 45 LEU H . 25472 1 220 . 1 1 45 45 LEU HA H 1 4.1681 0.01 . 1 . . . A 45 LEU HA . 25472 1 221 . 1 1 45 45 LEU HB2 H 1 1.8532 0.01 . 2 . . . A 45 LEU HB2 . 25472 1 222 . 1 1 45 45 LEU HB3 H 1 1.7377 0.01 . 2 . . . A 45 LEU HB3 . 25472 1 223 . 1 1 45 45 LEU HG H 1 1.4606 0.01 . 1 . . . A 45 LEU HG . 25472 1 224 . 1 1 45 45 LEU HD11 H 1 0.9267 0.01 . 2 . . . A 45 LEU HD11 . 25472 1 225 . 1 1 45 45 LEU HD12 H 1 0.9267 0.01 . 2 . . . A 45 LEU HD12 . 25472 1 226 . 1 1 45 45 LEU HD13 H 1 0.9267 0.01 . 2 . . . A 45 LEU HD13 . 25472 1 227 . 1 1 45 45 LEU HD21 H 1 0.6348 0.01 . 2 . . . A 45 LEU HD21 . 25472 1 228 . 1 1 45 45 LEU HD22 H 1 0.6348 0.01 . 2 . . . A 45 LEU HD22 . 25472 1 229 . 1 1 45 45 LEU HD23 H 1 0.6348 0.01 . 2 . . . A 45 LEU HD23 . 25472 1 230 . 1 1 46 46 HIS H H 1 7.4187 0.01 . 1 . . . A 46 HIS H . 25472 1 231 . 1 1 46 46 HIS HA H 1 4.2704 0.01 . 1 . . . A 46 HIS HA . 25472 1 232 . 1 1 46 46 HIS HB2 H 1 3.1945 0.01 . 2 . . . A 46 HIS HB2 . 25472 1 233 . 1 1 46 46 HIS HB3 H 1 3.1186 0.01 . 2 . . . A 46 HIS HB3 . 25472 1 stop_ save_