data_34011 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34011 _Entry.Title ; Solution structure of the bacterial toxin LdrD in Tetrafluorethanol ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-06-16 _Entry.Accession_date 2016-06-16 _Entry.Last_release_date 2016-11-11 _Entry.Original_release_date 2016-11-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.2.6 _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 N. Meyer N. H. . . 34011 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Helix bacterial toxin TA type I' . 34011 toxin . 34011 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34011 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 118 34011 '1H chemical shifts' 178 34011 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 . . 2017-07-26 . original BMRB . 34011 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5LBJ 'BMRB Entry Tracking System' 34011 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34011 _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 the bacterial toxin LdrD in Tetrafluorethanol ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'to be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _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 N. Meyer N. H. . . 34011 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34011 _Assembly.ID 1 _Assembly.Name 'Small toxic polypeptide LdrD' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34011 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34011 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Small toxic polypeptide LdrD' _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 ; MTFAELGMAFWHDLAAPVIA GILASMIVNWLNKRK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 35 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3920.710 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Toxic polypeptide' na 34011 1 small na 34011 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 MET . 34011 1 2 2 THR . 34011 1 3 3 PHE . 34011 1 4 4 ALA . 34011 1 5 5 GLU . 34011 1 6 6 LEU . 34011 1 7 7 GLY . 34011 1 8 8 MET . 34011 1 9 9 ALA . 34011 1 10 10 PHE . 34011 1 11 11 TRP . 34011 1 12 12 HIS . 34011 1 13 13 ASP . 34011 1 14 14 LEU . 34011 1 15 15 ALA . 34011 1 16 16 ALA . 34011 1 17 17 PRO . 34011 1 18 18 VAL . 34011 1 19 19 ILE . 34011 1 20 20 ALA . 34011 1 21 21 GLY . 34011 1 22 22 ILE . 34011 1 23 23 LEU . 34011 1 24 24 ALA . 34011 1 25 25 SER . 34011 1 26 26 MET . 34011 1 27 27 ILE . 34011 1 28 28 VAL . 34011 1 29 29 ASN . 34011 1 30 30 TRP . 34011 1 31 31 LEU . 34011 1 32 32 ASN . 34011 1 33 33 LYS . 34011 1 34 34 ARG . 34011 1 35 35 LYS . 34011 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 . MET 1 1 34011 1 . THR 2 2 34011 1 . PHE 3 3 34011 1 . ALA 4 4 34011 1 . GLU 5 5 34011 1 . LEU 6 6 34011 1 . GLY 7 7 34011 1 . MET 8 8 34011 1 . ALA 9 9 34011 1 . PHE 10 10 34011 1 . TRP 11 11 34011 1 . HIS 12 12 34011 1 . ASP 13 13 34011 1 . LEU 14 14 34011 1 . ALA 15 15 34011 1 . ALA 16 16 34011 1 . PRO 17 17 34011 1 . VAL 18 18 34011 1 . ILE 19 19 34011 1 . ALA 20 20 34011 1 . GLY 21 21 34011 1 . ILE 22 22 34011 1 . LEU 23 23 34011 1 . ALA 24 24 34011 1 . SER 25 25 34011 1 . MET 26 26 34011 1 . ILE 27 27 34011 1 . VAL 28 28 34011 1 . ASN 29 29 34011 1 . TRP 30 30 34011 1 . LEU 31 31 34011 1 . ASN 32 32 34011 1 . LYS 33 33 34011 1 . ARG 34 34 34011 1 . LYS 35 35 34011 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 34011 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 562 organism . 'Escherichia coli' 'Escherichia coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 34011 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 34011 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . 34011 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34011 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM 1H LdrD, trifluoroethanol/water' _Sample.Aggregate_sample_number . _Sample.Solvent_system trifluoroethanol/water _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 LdrD 1H . . 1 $entity_1 . . 1 . . mM . . . . 34011 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 34011 _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 . mM 34011 1 pH 7 . pH 34011 1 pressure 1 . bar 34011 1 temperature 298 . K 34011 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34011 _Software.ID 1 _Software.Name CNS _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34011 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34011 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34011 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34011 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34011 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34011 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 34011 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 34011 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34011 _Software.ID 4 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34011 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 34011 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34011 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 34011 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 700 . . . 34011 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 34011 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34011 1 2 '2D TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34011 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34011 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34011 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 HDO protons . . . . ppm 4.78 internal indirect 0.251449519 . . . . . 34011 1 H 1 HDO protons . . . . ppm 4.78 internal direct 1 . . . . . 34011 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34011 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D NOESY' . . . 34011 1 2 '2D TOCSY' . . . 34011 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 4 $software_4 . . 34011 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 MET HA H 1 4.048 0.002 . 1 . . . A 1 MET HA . 34011 1 2 . 1 1 1 1 MET HB2 H 1 1.792 0.003 . . . . . A 1 MET HB2 . 34011 1 3 . 1 1 1 1 MET HB3 H 1 1.792 0.003 . . . . . A 1 MET HB3 . 34011 1 4 . 1 1 1 1 MET HG2 H 1 2.253 0.005 . . . . . A 1 MET HG2 . 34011 1 5 . 1 1 1 1 MET HG3 H 1 2.158 0.006 . . . . . A 1 MET HG3 . 34011 1 6 . 1 1 1 1 MET CB C 13 31.653 0.150 . 1 . . . A 1 MET CB . 34011 1 7 . 1 1 1 1 MET CG C 13 30.717 0.150 . 1 . . . A 1 MET CG . 34011 1 8 . 1 1 1 1 MET CE C 13 15.269 0.150 . 1 . . . A 1 MET CE . 34011 1 9 . 1 1 2 2 THR H H 1 7.638 0.003 . 1 . . . A 2 THR H . 34011 1 10 . 1 1 2 2 THR HA H 1 4.275 0.002 . 1 . . . A 2 THR HA . 34011 1 11 . 1 1 2 2 THR HB H 1 4.092 0.003 . 1 . . . A 2 THR HB . 34011 1 12 . 1 1 2 2 THR CA C 13 59.877 0.150 . 1 . . . A 2 THR CA . 34011 1 13 . 1 1 2 2 THR CB C 13 71.769 0.150 . 1 . . . A 2 THR CB . 34011 1 14 . 1 1 3 3 PHE H H 1 7.142 0.001 . 1 . . . A 3 PHE H . 34011 1 15 . 1 1 3 3 PHE HA H 1 4.037 0.006 . 1 . . . A 3 PHE HA . 34011 1 16 . 1 1 3 3 PHE HB2 H 1 2.808 0.001 . . . . . A 3 PHE HB2 . 34011 1 17 . 1 1 3 3 PHE HB3 H 1 2.702 0.007 . . . . . A 3 PHE HB3 . 34011 1 18 . 1 1 3 3 PHE HZ H 1 6.914 0.015 . 1 . . . A 3 PHE HZ . 34011 1 19 . 1 1 3 3 PHE CA C 13 60.210 0.150 . 1 . . . A 3 PHE CA . 34011 1 20 . 1 1 3 3 PHE CB C 13 38.206 0.001 . 1 . . . A 3 PHE CB . 34011 1 21 . 1 1 3 3 PHE CD1 C 13 130.642 0.150 . . . . . A 3 PHE CD1 . 34011 1 22 . 1 1 3 3 PHE CD2 C 13 130.642 0.150 . . . . . A 3 PHE CD2 . 34011 1 23 . 1 1 3 3 PHE CE1 C 13 130.881 0.150 . . . . . A 3 PHE CE1 . 34011 1 24 . 1 1 3 3 PHE CE2 C 13 130.881 0.150 . . . . . A 3 PHE CE2 . 34011 1 25 . 1 1 3 3 PHE CZ C 13 129.630 0.150 . 1 . . . A 3 PHE CZ . 34011 1 26 . 1 1 4 4 ALA H H 1 6.694 0.001 . 1 . . . A 4 ALA H . 34011 1 27 . 1 1 4 4 ALA HA H 1 3.760 0.007 . 1 . . . A 4 ALA HA . 34011 1 28 . 1 1 4 4 ALA CA C 13 54.398 0.150 . 1 . . . A 4 ALA CA . 34011 1 29 . 1 1 4 4 ALA CB C 13 17.233 0.150 . 1 . . . A 4 ALA CB . 34011 1 30 . 1 1 5 5 GLU H H 1 6.956 0.001 . 1 . . . A 5 GLU H . 34011 1 31 . 1 1 5 5 GLU HA H 1 3.682 0.003 . 1 . . . A 5 GLU HA . 34011 1 32 . 1 1 5 5 GLU HB2 H 1 1.932 0.008 . . . . . A 5 GLU HB2 . 34011 1 33 . 1 1 5 5 GLU HB3 H 1 1.789 0.012 . . . . . A 5 GLU HB3 . 34011 1 34 . 1 1 5 5 GLU HG2 H 1 2.125 0.007 . . . . . A 5 GLU HG2 . 34011 1 35 . 1 1 5 5 GLU HG3 H 1 2.057 0.003 . . . . . A 5 GLU HG3 . 34011 1 36 . 1 1 5 5 GLU CA C 13 58.218 0.150 . 1 . . . A 5 GLU CA . 34011 1 37 . 1 1 5 5 GLU CB C 13 28.458 0.150 . 1 . . . A 5 GLU CB . 34011 1 38 . 1 1 5 5 GLU CG C 13 33.074 0.150 . 1 . . . A 5 GLU CG . 34011 1 39 . 1 1 6 6 LEU H H 1 7.276 0.001 . 1 . . . A 6 LEU H . 34011 1 40 . 1 1 6 6 LEU HA H 1 3.793 0.001 . 1 . . . A 6 LEU HA . 34011 1 41 . 1 1 6 6 LEU HB2 H 1 1.383 0.001 . . . . . A 6 LEU HB2 . 34011 1 42 . 1 1 6 6 LEU HB3 H 1 1.331 0.009 . . . . . A 6 LEU HB3 . 34011 1 43 . 1 1 6 6 LEU HG H 1 1.289 0.022 . 1 . . . A 6 LEU HG . 34011 1 44 . 1 1 6 6 LEU CA C 13 57.642 0.150 . 1 . . . A 6 LEU CA . 34011 1 45 . 1 1 6 6 LEU CB C 13 41.377 0.150 . 1 . . . A 6 LEU CB . 34011 1 46 . 1 1 6 6 LEU CG C 13 26.513 0.150 . 1 . . . A 6 LEU CG . 34011 1 47 . 1 1 6 6 LEU CD1 C 13 23.252 0.150 . . . . . A 6 LEU CD1 . 34011 1 48 . 1 1 6 6 LEU CD2 C 13 22.823 0.150 . . . . . A 6 LEU CD2 . 34011 1 49 . 1 1 7 7 GLY H H 1 7.818 0.001 . 1 . . . A 7 GLY H . 34011 1 50 . 1 1 7 7 GLY HA2 H 1 3.442 0.004 . . . . . A 7 GLY HA2 . 34011 1 51 . 1 1 7 7 GLY HA3 H 1 3.511 0.019 . . . . . A 7 GLY HA3 . 34011 1 52 . 1 1 7 7 GLY CA C 13 46.642 0.150 . 1 . . . A 7 GLY CA . 34011 1 53 . 1 1 8 8 MET H H 1 7.543 0.001 . 1 . . . A 8 MET H . 34011 1 54 . 1 1 8 8 MET HA H 1 4.149 0.002 . 1 . . . A 8 MET HA . 34011 1 55 . 1 1 8 8 MET HB2 H 1 1.988 0.004 . . . . . A 8 MET HB2 . 34011 1 56 . 1 1 8 8 MET HB3 H 1 1.795 0.007 . . . . . A 8 MET HB3 . 34011 1 57 . 1 1 8 8 MET HG2 H 1 2.376 0.004 . . . . . A 8 MET HG2 . 34011 1 58 . 1 1 8 8 MET HG3 H 1 2.314 0.002 . . . . . A 8 MET HG3 . 34011 1 59 . 1 1 8 8 MET CA C 13 57.946 0.150 . 1 . . . A 8 MET CA . 34011 1 60 . 1 1 8 8 MET CB C 13 32.028 0.150 . 1 . . . A 8 MET CB . 34011 1 61 . 1 1 8 8 MET CG C 13 31.948 0.001 . 1 . . . A 8 MET CG . 34011 1 62 . 1 1 8 8 MET CE C 13 15.787 0.150 . 1 . . . A 8 MET CE . 34011 1 63 . 1 1 9 9 ALA H H 1 7.829 0.003 . 1 . . . A 9 ALA H . 34011 1 64 . 1 1 9 9 ALA HA H 1 3.787 0.003 . 1 . . . A 9 ALA HA . 34011 1 65 . 1 1 9 9 ALA CA C 13 55.278 0.150 . 1 . . . A 9 ALA CA . 34011 1 66 . 1 1 9 9 ALA CB C 13 16.842 0.150 . 1 . . . A 9 ALA CB . 34011 1 67 . 1 1 10 10 PHE H H 1 8.176 0.015 . 1 . . . A 10 PHE H . 34011 1 68 . 1 1 10 10 PHE HA H 1 3.936 0.002 . 1 . . . A 10 PHE HA . 34011 1 69 . 1 1 10 10 PHE HB2 H 1 2.849 0.001 . . . . . A 10 PHE HB2 . 34011 1 70 . 1 1 10 10 PHE HB3 H 1 2.812 0.002 . . . . . A 10 PHE HB3 . 34011 1 71 . 1 1 10 10 PHE HZ H 1 6.735 0.003 . 1 . . . A 10 PHE HZ . 34011 1 72 . 1 1 10 10 PHE CA C 13 60.851 0.150 . 1 . . . A 10 PHE CA . 34011 1 73 . 1 1 10 10 PHE CB C 13 38.474 0.150 . 1 . . . A 10 PHE CB . 34011 1 74 . 1 1 10 10 PHE CD1 C 13 130.704 0.150 . . . . . A 10 PHE CD1 . 34011 1 75 . 1 1 10 10 PHE CD2 C 13 130.704 0.150 . . . . . A 10 PHE CD2 . 34011 1 76 . 1 1 10 10 PHE CE1 C 13 130.469 0.150 . . . . . A 10 PHE CE1 . 34011 1 77 . 1 1 10 10 PHE CE2 C 13 130.469 0.150 . . . . . A 10 PHE CE2 . 34011 1 78 . 1 1 10 10 PHE CZ C 13 129.022 0.150 . 1 . . . A 10 PHE CZ . 34011 1 79 . 1 1 11 11 TRP H H 1 8.030 0.001 . 1 . . . A 11 TRP H . 34011 1 80 . 1 1 11 11 TRP HA H 1 3.989 0.001 . 1 . . . A 11 TRP HA . 34011 1 81 . 1 1 11 11 TRP HB2 H 1 3.056 0.002 . . . . . A 11 TRP HB2 . 34011 1 82 . 1 1 11 11 TRP HB3 H 1 3.012 0.002 . . . . . A 11 TRP HB3 . 34011 1 83 . 1 1 11 11 TRP HD1 H 1 6.849 0.001 . 1 . . . A 11 TRP HD1 . 34011 1 84 . 1 1 11 11 TRP HE1 H 1 8.665 0.001 . 1 . . . A 11 TRP HE1 . 34011 1 85 . 1 1 11 11 TRP HE3 H 1 7.097 0.002 . 1 . . . A 11 TRP HE3 . 34011 1 86 . 1 1 11 11 TRP HZ2 H 1 7.003 0.015 . 1 . . . A 11 TRP HZ2 . 34011 1 87 . 1 1 11 11 TRP HZ3 H 1 6.625 0.015 . 1 . . . A 11 TRP HZ3 . 34011 1 88 . 1 1 11 11 TRP HH2 H 1 6.790 0.015 . 1 . . . A 11 TRP HH2 . 34011 1 89 . 1 1 11 11 TRP CA C 13 60.039 0.150 . 1 . . . A 11 TRP CA . 34011 1 90 . 1 1 11 11 TRP CB C 13 28.530 0.001 . 1 . . . A 11 TRP CB . 34011 1 91 . 1 1 11 11 TRP CD1 C 13 126.092 0.150 . 1 . . . A 11 TRP CD1 . 34011 1 92 . 1 1 11 11 TRP CZ2 C 13 113.612 0.150 . 1 . . . A 11 TRP CZ2 . 34011 1 93 . 1 1 12 12 HIS H H 1 7.777 0.015 . 1 . . . A 12 HIS H . 34011 1 94 . 1 1 12 12 HIS HA H 1 3.766 0.007 . 1 . . . A 12 HIS HA . 34011 1 95 . 1 1 12 12 HIS HB2 H 1 3.018 0.001 . . . . . A 12 HIS HB2 . 34011 1 96 . 1 1 12 12 HIS HB3 H 1 3.018 0.001 . . . . . A 12 HIS HB3 . 34011 1 97 . 1 1 12 12 HIS HD1 H 1 6.900 0.015 . 1 . . . A 12 HIS HD1 . 34011 1 98 . 1 1 12 12 HIS HE1 H 1 8.003 0.015 . 1 . . . A 12 HIS HE1 . 34011 1 99 . 1 1 12 12 HIS CA C 13 59.076 0.150 . 1 . . . A 12 HIS CA . 34011 1 100 . 1 1 12 12 HIS CB C 13 27.220 0.150 . 1 . . . A 12 HIS CB . 34011 1 101 . 1 1 12 12 HIS CD2 C 13 119.577 0.150 . 1 . . . A 12 HIS CD2 . 34011 1 102 . 1 1 12 12 HIS CE1 C 13 134.812 0.150 . 1 . . . A 12 HIS CE1 . 34011 1 103 . 1 1 13 13 ASP H H 1 7.910 0.001 . 1 . . . A 13 ASP H . 34011 1 104 . 1 1 13 13 ASP HA H 1 4.161 0.001 . 1 . . . A 13 ASP HA . 34011 1 105 . 1 1 13 13 ASP HB2 H 1 2.756 0.006 . . . . . A 13 ASP HB2 . 34011 1 106 . 1 1 13 13 ASP HB3 H 1 2.512 0.002 . . . . . A 13 ASP HB3 . 34011 1 107 . 1 1 13 13 ASP CA C 13 54.539 0.150 . 1 . . . A 13 ASP CA . 34011 1 108 . 1 1 13 13 ASP CB C 13 36.338 0.150 . 1 . . . A 13 ASP CB . 34011 1 109 . 1 1 14 14 LEU H H 1 7.425 0.001 . 1 . . . A 14 LEU H . 34011 1 110 . 1 1 14 14 LEU HA H 1 3.788 0.001 . 1 . . . A 14 LEU HA . 34011 1 111 . 1 1 14 14 LEU HB2 H 1 1.260 0.005 . . . . . A 14 LEU HB2 . 34011 1 112 . 1 1 14 14 LEU HB3 H 1 1.069 0.007 . . . . . A 14 LEU HB3 . 34011 1 113 . 1 1 14 14 LEU HG H 1 1.192 0.001 . 1 . . . A 14 LEU HG . 34011 1 114 . 1 1 14 14 LEU CA C 13 56.572 0.150 . 1 . . . A 14 LEU CA . 34011 1 115 . 1 1 14 14 LEU CB C 13 41.927 0.150 . 1 . . . A 14 LEU CB . 34011 1 116 . 1 1 14 14 LEU CG C 13 26.414 0.150 . 1 . . . A 14 LEU CG . 34011 1 117 . 1 1 14 14 LEU CD1 C 13 22.042 0.150 . . . . . A 14 LEU CD1 . 34011 1 118 . 1 1 14 14 LEU CD2 C 13 22.042 0.150 . . . . . A 14 LEU CD2 . 34011 1 119 . 1 1 15 15 ALA H H 1 7.245 0.003 . 1 . . . A 15 ALA H . 34011 1 120 . 1 1 15 15 ALA HA H 1 3.858 0.001 . 1 . . . A 15 ALA HA . 34011 1 121 . 1 1 15 15 ALA CA C 13 52.740 0.150 . 1 . . . A 15 ALA CA . 34011 1 122 . 1 1 15 15 ALA CB C 13 17.907 0.150 . 1 . . . A 15 ALA CB . 34011 1 123 . 1 1 16 16 ALA H H 1 7.256 0.001 . 1 . . . A 16 ALA H . 34011 1 124 . 1 1 16 16 ALA HA H 1 3.750 0.002 . 1 . . . A 16 ALA HA . 34011 1 125 . 1 1 16 16 ALA CA C 13 55.801 0.150 . 1 . . . A 16 ALA CA . 34011 1 126 . 1 1 16 16 ALA CB C 13 14.994 0.150 . 1 . . . A 16 ALA CB . 34011 1 127 . 1 1 17 17 PRO HA H 1 3.908 0.002 . 1 . . . A 17 PRO HA . 34011 1 128 . 1 1 17 17 PRO HB2 H 1 1.928 0.001 . . . . . A 17 PRO HB2 . 34011 1 129 . 1 1 17 17 PRO HB3 H 1 1.403 0.002 . . . . . A 17 PRO HB3 . 34011 1 130 . 1 1 17 17 PRO HG2 H 1 1.714 0.003 . . . . . A 17 PRO HG2 . 34011 1 131 . 1 1 17 17 PRO HG3 H 1 1.527 0.003 . . . . . A 17 PRO HG3 . 34011 1 132 . 1 1 17 17 PRO HD2 H 1 3.251 0.002 . . . . . A 17 PRO HD2 . 34011 1 133 . 1 1 17 17 PRO HD3 H 1 3.251 0.002 . . . . . A 17 PRO HD3 . 34011 1 134 . 1 1 17 17 PRO CA C 13 65.410 0.150 . 1 . . . A 17 PRO CA . 34011 1 135 . 1 1 17 17 PRO CB C 13 30.498 0.150 . 1 . . . A 17 PRO CB . 34011 1 136 . 1 1 17 17 PRO CG C 13 27.625 0.001 . 1 . . . A 17 PRO CG . 34011 1 137 . 1 1 17 17 PRO CD C 13 49.717 0.150 . 1 . . . A 17 PRO CD . 34011 1 138 . 1 1 18 18 VAL H H 1 6.905 0.001 . 1 . . . A 18 VAL H . 34011 1 139 . 1 1 18 18 VAL HA H 1 3.395 0.001 . 1 . . . A 18 VAL HA . 34011 1 140 . 1 1 18 18 VAL HB H 1 1.941 0.001 . 1 . . . A 18 VAL HB . 34011 1 141 . 1 1 18 18 VAL CA C 13 65.393 0.150 . 1 . . . A 18 VAL CA . 34011 1 142 . 1 1 18 18 VAL CB C 13 31.516 0.150 . 1 . . . A 18 VAL CB . 34011 1 143 . 1 1 18 18 VAL CG1 C 13 20.833 0.150 . . . . . A 18 VAL CG1 . 34011 1 144 . 1 1 18 18 VAL CG2 C 13 19.821 0.150 . . . . . A 18 VAL CG2 . 34011 1 145 . 1 1 19 19 ILE H H 1 7.571 0.001 . 1 . . . A 19 ILE H . 34011 1 146 . 1 1 19 19 ILE HA H 1 3.338 0.002 . 1 . . . A 19 ILE HA . 34011 1 147 . 1 1 19 19 ILE HB H 1 1.544 0.015 . 1 . . . A 19 ILE HB . 34011 1 148 . 1 1 19 19 ILE HG12 H 1 0.872 0.011 . . . . . A 19 ILE HG12 . 34011 1 149 . 1 1 19 19 ILE HG13 H 1 0.872 0.011 . . . . . A 19 ILE HG13 . 34011 1 150 . 1 1 19 19 ILE CA C 13 64.307 0.150 . 1 . . . A 19 ILE CA . 34011 1 151 . 1 1 19 19 ILE CB C 13 37.310 0.150 . 1 . . . A 19 ILE CB . 34011 1 152 . 1 1 19 19 ILE CG1 C 13 28.092 0.150 . 1 . . . A 19 ILE CG1 . 34011 1 153 . 1 1 19 19 ILE CG2 C 13 16.094 0.150 . 1 . . . A 19 ILE CG2 . 34011 1 154 . 1 1 19 19 ILE CD1 C 13 11.118 0.150 . 1 . . . A 19 ILE CD1 . 34011 1 155 . 1 1 20 20 ALA H H 1 8.166 0.015 . 1 . . . A 20 ALA H . 34011 1 156 . 1 1 20 20 ALA HA H 1 3.678 0.003 . 1 . . . A 20 ALA HA . 34011 1 157 . 1 1 20 20 ALA CA C 13 55.192 0.150 . 1 . . . A 20 ALA CA . 34011 1 158 . 1 1 20 20 ALA CB C 13 16.996 0.150 . 1 . . . A 20 ALA CB . 34011 1 159 . 1 1 21 21 GLY H H 1 7.224 0.005 . 1 . . . A 21 GLY H . 34011 1 160 . 1 1 21 21 GLY HA2 H 1 3.545 0.015 . . . . . A 21 GLY HA2 . 34011 1 161 . 1 1 21 21 GLY HA3 H 1 3.545 0.015 . . . . . A 21 GLY HA3 . 34011 1 162 . 1 1 21 21 GLY CA C 13 46.314 0.150 . 1 . . . A 21 GLY CA . 34011 1 163 . 1 1 22 22 ILE H H 1 7.933 0.002 . 1 . . . A 22 ILE H . 34011 1 164 . 1 1 22 22 ILE HA H 1 3.369 0.006 . 1 . . . A 22 ILE HA . 34011 1 165 . 1 1 22 22 ILE HB H 1 1.740 0.008 . 1 . . . A 22 ILE HB . 34011 1 166 . 1 1 22 22 ILE HG12 H 1 1.548 0.001 . . . . . A 22 ILE HG12 . 34011 1 167 . 1 1 22 22 ILE HG13 H 1 1.548 0.001 . . . . . A 22 ILE HG13 . 34011 1 168 . 1 1 22 22 ILE CA C 13 65.320 0.150 . 1 . . . A 22 ILE CA . 34011 1 169 . 1 1 22 22 ILE CB C 13 37.653 0.150 . 1 . . . A 22 ILE CB . 34011 1 170 . 1 1 22 22 ILE CG1 C 13 28.034 0.150 . 1 . . . A 22 ILE CG1 . 34011 1 171 . 1 1 22 22 ILE CG2 C 13 15.877 0.150 . 1 . . . A 22 ILE CG2 . 34011 1 172 . 1 1 23 23 LEU H H 1 8.244 0.001 . 1 . . . A 23 LEU H . 34011 1 173 . 1 1 23 23 LEU HA H 1 3.792 0.015 . 1 . . . A 23 LEU HA . 34011 1 174 . 1 1 23 23 LEU HB2 H 1 1.497 0.004 . . . . . A 23 LEU HB2 . 34011 1 175 . 1 1 23 23 LEU HB3 H 1 1.497 0.004 . . . . . A 23 LEU HB3 . 34011 1 176 . 1 1 23 23 LEU HG H 1 1.221 0.015 . 1 . . . A 23 LEU HG . 34011 1 177 . 1 1 23 23 LEU CA C 13 58.274 0.150 . 1 . . . A 23 LEU CA . 34011 1 178 . 1 1 23 23 LEU CB C 13 41.101 0.150 . 1 . . . A 23 LEU CB . 34011 1 179 . 1 1 23 23 LEU CG C 13 26.490 0.150 . 1 . . . A 23 LEU CG . 34011 1 180 . 1 1 23 23 LEU CD1 C 13 23.651 0.064 . . . . . A 23 LEU CD1 . 34011 1 181 . 1 1 23 23 LEU CD2 C 13 23.620 0.150 . . . . . A 23 LEU CD2 . 34011 1 182 . 1 1 24 24 ALA H H 1 8.086 0.001 . 1 . . . A 24 ALA H . 34011 1 183 . 1 1 24 24 ALA HA H 1 3.723 0.002 . 1 . . . A 24 ALA HA . 34011 1 184 . 1 1 24 24 ALA CA C 13 55.305 0.150 . 1 . . . A 24 ALA CA . 34011 1 185 . 1 1 24 24 ALA CB C 13 16.842 0.150 . 1 . . . A 24 ALA CB . 34011 1 186 . 1 1 25 25 SER H H 1 7.566 0.001 . 1 . . . A 25 SER H . 34011 1 187 . 1 1 25 25 SER HA H 1 3.788 0.001 . 1 . . . A 25 SER HA . 34011 1 188 . 1 1 25 25 SER HB2 H 1 3.665 0.003 . . . . . A 25 SER HB2 . 34011 1 189 . 1 1 25 25 SER HB3 H 1 3.665 0.003 . . . . . A 25 SER HB3 . 34011 1 190 . 1 1 25 25 SER CA C 13 61.802 0.150 . 1 . . . A 25 SER CA . 34011 1 191 . 1 1 26 26 MET H H 1 7.828 0.002 . 1 . . . A 26 MET H . 34011 1 192 . 1 1 26 26 MET HA H 1 3.872 0.003 . 1 . . . A 26 MET HA . 34011 1 193 . 1 1 26 26 MET HB2 H 1 1.765 0.001 . . . . . A 26 MET HB2 . 34011 1 194 . 1 1 26 26 MET HB3 H 1 2.141 0.004 . . . . . A 26 MET HB3 . 34011 1 195 . 1 1 26 26 MET HG2 H 1 2.449 0.009 . . . . . A 26 MET HG2 . 34011 1 196 . 1 1 26 26 MET HG3 H 1 2.212 0.007 . . . . . A 26 MET HG3 . 34011 1 197 . 1 1 26 26 MET CA C 13 58.743 0.150 . 1 . . . A 26 MET CA . 34011 1 198 . 1 1 26 26 MET CB C 13 32.002 0.150 . 1 . . . A 26 MET CB . 34011 1 199 . 1 1 26 26 MET CG C 13 31.904 0.001 . 1 . . . A 26 MET CG . 34011 1 200 . 1 1 26 26 MET CE C 13 15.631 0.150 . 1 . . . A 26 MET CE . 34011 1 201 . 1 1 27 27 ILE H H 1 7.937 0.002 . 1 . . . A 27 ILE H . 34011 1 202 . 1 1 27 27 ILE HA H 1 3.504 0.003 . 1 . . . A 27 ILE HA . 34011 1 203 . 1 1 27 27 ILE HB H 1 1.733 0.012 . 1 . . . A 27 ILE HB . 34011 1 204 . 1 1 27 27 ILE HG12 H 1 1.488 0.001 . . . . . A 27 ILE HG12 . 34011 1 205 . 1 1 27 27 ILE HG13 H 1 1.488 0.001 . . . . . A 27 ILE HG13 . 34011 1 206 . 1 1 27 27 ILE CA C 13 57.582 0.150 . 1 . . . A 27 ILE CA . 34011 1 207 . 1 1 27 27 ILE CB C 13 37.912 0.150 . 1 . . . A 27 ILE CB . 34011 1 208 . 1 1 27 27 ILE CG2 C 13 16.101 0.150 . 1 . . . A 27 ILE CG2 . 34011 1 209 . 1 1 28 28 VAL H H 1 8.362 0.015 . 1 . . . A 28 VAL H . 34011 1 210 . 1 1 28 28 VAL HA H 1 3.316 0.003 . 1 . . . A 28 VAL HA . 34011 1 211 . 1 1 28 28 VAL HB H 1 1.799 0.003 . 1 . . . A 28 VAL HB . 34011 1 212 . 1 1 28 28 VAL CA C 13 67.094 0.150 . 1 . . . A 28 VAL CA . 34011 1 213 . 1 1 28 28 VAL CB C 13 31.350 0.150 . 1 . . . A 28 VAL CB . 34011 1 214 . 1 1 28 28 VAL CG1 C 13 21.607 0.001 . . . . . A 28 VAL CG1 . 34011 1 215 . 1 1 28 28 VAL CG2 C 13 20.183 0.150 . . . . . A 28 VAL CG2 . 34011 1 216 . 1 1 29 29 ASN H H 1 7.611 0.002 . 1 . . . A 29 ASN H . 34011 1 217 . 1 1 29 29 ASN HA H 1 4.090 0.015 . 1 . . . A 29 ASN HA . 34011 1 218 . 1 1 29 29 ASN HB2 H 1 2.690 0.015 . . . . . A 29 ASN HB2 . 34011 1 219 . 1 1 29 29 ASN HB3 H 1 2.346 0.006 . . . . . A 29 ASN HB3 . 34011 1 220 . 1 1 29 29 ASN HD21 H 1 7.283 0.015 . . . . . A 29 ASN HD21 . 34011 1 221 . 1 1 29 29 ASN HD22 H 1 5.863 0.015 . . . . . A 29 ASN HD22 . 34011 1 222 . 1 1 29 29 ASN CA C 13 56.641 0.150 . 1 . . . A 29 ASN CA . 34011 1 223 . 1 1 29 29 ASN CB C 13 38.806 0.150 . 1 . . . A 29 ASN CB . 34011 1 224 . 1 1 30 30 TRP H H 1 7.881 0.001 . 1 . . . A 30 TRP H . 34011 1 225 . 1 1 30 30 TRP HA H 1 4.091 0.001 . 1 . . . A 30 TRP HA . 34011 1 226 . 1 1 30 30 TRP HB2 H 1 3.258 0.004 . . . . . A 30 TRP HB2 . 34011 1 227 . 1 1 30 30 TRP HB3 H 1 3.064 0.006 . . . . . A 30 TRP HB3 . 34011 1 228 . 1 1 30 30 TRP HD1 H 1 6.730 0.001 . 1 . . . A 30 TRP HD1 . 34011 1 229 . 1 1 30 30 TRP HE1 H 1 8.712 0.001 . 1 . . . A 30 TRP HE1 . 34011 1 230 . 1 1 30 30 TRP HE3 H 1 7.210 0.006 . 1 . . . A 30 TRP HE3 . 34011 1 231 . 1 1 30 30 TRP HZ2 H 1 7.025 0.015 . 1 . . . A 30 TRP HZ2 . 34011 1 232 . 1 1 30 30 TRP HZ3 H 1 6.732 0.015 . 1 . . . A 30 TRP HZ3 . 34011 1 233 . 1 1 30 30 TRP HH2 H 1 6.818 0.005 . 1 . . . A 30 TRP HH2 . 34011 1 234 . 1 1 30 30 TRP CA C 13 60.365 0.150 . 1 . . . A 30 TRP CA . 34011 1 235 . 1 1 30 30 TRP CB C 13 28.907 0.150 . 1 . . . A 30 TRP CB . 34011 1 236 . 1 1 31 31 LEU H H 1 8.558 0.001 . 1 . . . A 31 LEU H . 34011 1 237 . 1 1 31 31 LEU HA H 1 3.508 0.015 . 1 . . . A 31 LEU HA . 34011 1 238 . 1 1 31 31 LEU HB2 H 1 1.650 0.002 . . . . . A 31 LEU HB2 . 34011 1 239 . 1 1 31 31 LEU HB3 H 1 1.650 0.002 . . . . . A 31 LEU HB3 . 34011 1 240 . 1 1 31 31 LEU HG H 1 1.707 0.003 . 1 . . . A 31 LEU HG . 34011 1 241 . 1 1 31 31 LEU CB C 13 41.925 0.150 . 1 . . . A 31 LEU CB . 34011 1 242 . 1 1 31 31 LEU CG C 13 26.378 0.150 . 1 . . . A 31 LEU CG . 34011 1 243 . 1 1 31 31 LEU CD1 C 13 24.414 0.150 . . . . . A 31 LEU CD1 . 34011 1 244 . 1 1 31 31 LEU CD2 C 13 24.414 0.150 . . . . . A 31 LEU CD2 . 34011 1 245 . 1 1 32 32 ASN H H 1 7.796 0.002 . 1 . . . A 32 ASN H . 34011 1 246 . 1 1 32 32 ASN HA H 1 4.169 0.001 . 1 . . . A 32 ASN HA . 34011 1 247 . 1 1 32 32 ASN HB2 H 1 2.591 0.010 . . . . . A 32 ASN HB2 . 34011 1 248 . 1 1 32 32 ASN HB3 H 1 2.401 0.005 . . . . . A 32 ASN HB3 . 34011 1 249 . 1 1 32 32 ASN HD21 H 1 6.717 0.003 . . . . . A 32 ASN HD21 . 34011 1 250 . 1 1 32 32 ASN HD22 H 1 5.792 0.001 . . . . . A 32 ASN HD22 . 34011 1 251 . 1 1 32 32 ASN CA C 13 54.095 0.150 . 1 . . . A 32 ASN CA . 34011 1 252 . 1 1 32 32 ASN CB C 13 37.884 0.150 . 1 . . . A 32 ASN CB . 34011 1 253 . 1 1 33 33 LYS H H 1 7.105 0.001 . 1 . . . A 33 LYS H . 34011 1 254 . 1 1 33 33 LYS HA H 1 3.838 0.001 . 1 . . . A 33 LYS HA . 34011 1 255 . 1 1 33 33 LYS HB2 H 1 1.423 0.009 . . . . . A 33 LYS HB2 . 34011 1 256 . 1 1 33 33 LYS HB3 H 1 1.423 0.009 . . . . . A 33 LYS HB3 . 34011 1 257 . 1 1 33 33 LYS HG2 H 1 1.125 0.004 . . . . . A 33 LYS HG2 . 34011 1 258 . 1 1 33 33 LYS HG3 H 1 1.125 0.004 . . . . . A 33 LYS HG3 . 34011 1 259 . 1 1 33 33 LYS HD2 H 1 1.496 0.006 . . . . . A 33 LYS HD2 . 34011 1 260 . 1 1 33 33 LYS HD3 H 1 1.496 0.006 . . . . . A 33 LYS HD3 . 34011 1 261 . 1 1 33 33 LYS HE2 H 1 2.528 0.003 . . . . . A 33 LYS HE2 . 34011 1 262 . 1 1 33 33 LYS HE3 H 1 2.528 0.003 . . . . . A 33 LYS HE3 . 34011 1 263 . 1 1 33 33 LYS HZ1 H 1 6.086 0.001 . 1 . . . A 33 LYS HZ1 . 34011 1 264 . 1 1 33 33 LYS HZ2 H 1 6.086 0.001 . 1 . . . A 33 LYS HZ2 . 34011 1 265 . 1 1 33 33 LYS HZ3 H 1 6.086 0.001 . 1 . . . A 33 LYS HZ3 . 34011 1 266 . 1 1 33 33 LYS CA C 13 55.980 0.150 . 1 . . . A 33 LYS CA . 34011 1 267 . 1 1 33 33 LYS CB C 13 31.820 0.150 . 1 . . . A 33 LYS CB . 34011 1 268 . 1 1 33 33 LYS CG C 13 24.047 0.150 . 1 . . . A 33 LYS CG . 34011 1 269 . 1 1 33 33 LYS CD C 13 26.462 0.150 . 1 . . . A 33 LYS CD . 34011 1 270 . 1 1 33 33 LYS CE C 13 42.578 0.150 . 1 . . . A 33 LYS CE . 34011 1 271 . 1 1 34 34 ARG H H 1 7.313 0.001 . 1 . . . A 34 ARG H . 34011 1 272 . 1 1 34 34 ARG HA H 1 3.749 0.001 . 1 . . . A 34 ARG HA . 34011 1 273 . 1 1 34 34 ARG HB2 H 1 1.374 0.005 . . . . . A 34 ARG HB2 . 34011 1 274 . 1 1 34 34 ARG HB3 H 1 1.262 0.015 . . . . . A 34 ARG HB3 . 34011 1 275 . 1 1 34 34 ARG HG2 H 1 1.125 0.004 . . . . . A 34 ARG HG2 . 34011 1 276 . 1 1 34 34 ARG HG3 H 1 1.125 0.004 . . . . . A 34 ARG HG3 . 34011 1 277 . 1 1 34 34 ARG HD2 H 1 2.528 0.015 . . . . . A 34 ARG HD2 . 34011 1 278 . 1 1 34 34 ARG HD3 H 1 2.528 0.015 . . . . . A 34 ARG HD3 . 34011 1 279 . 1 1 34 34 ARG CA C 13 56.647 0.150 . 1 . . . A 34 ARG CA . 34011 1 280 . 1 1 34 34 ARG CB C 13 29.047 0.150 . 1 . . . A 34 ARG CB . 34011 1 281 . 1 1 34 34 ARG CG C 13 26.151 0.150 . 1 . . . A 34 ARG CG . 34011 1 282 . 1 1 34 34 ARG CD C 13 42.578 0.150 . 1 . . . A 34 ARG CD . 34011 1 283 . 1 1 35 35 LYS H H 1 6.998 0.002 . 1 . . . A 35 LYS H . 34011 1 284 . 1 1 35 35 LYS HA H 1 3.994 0.003 . 1 . . . A 35 LYS HA . 34011 1 285 . 1 1 35 35 LYS HB2 H 1 1.567 0.008 . . . . . A 35 LYS HB2 . 34011 1 286 . 1 1 35 35 LYS HB3 H 1 1.409 0.006 . . . . . A 35 LYS HB3 . 34011 1 287 . 1 1 35 35 LYS HG2 H 1 1.023 0.011 . . . . . A 35 LYS HG2 . 34011 1 288 . 1 1 35 35 LYS HG3 H 1 1.023 0.011 . . . . . A 35 LYS HG3 . 34011 1 289 . 1 1 35 35 LYS HD2 H 1 1.250 0.017 . . . . . A 35 LYS HD2 . 34011 1 290 . 1 1 35 35 LYS HD3 H 1 1.250 0.017 . . . . . A 35 LYS HD3 . 34011 1 291 . 1 1 35 35 LYS HE2 H 1 2.474 0.005 . . . . . A 35 LYS HE2 . 34011 1 292 . 1 1 35 35 LYS HE3 H 1 2.474 0.005 . . . . . A 35 LYS HE3 . 34011 1 293 . 1 1 35 35 LYS CA C 13 54.402 0.150 . 1 . . . A 35 LYS CA . 34011 1 294 . 1 1 35 35 LYS CB C 13 31.870 0.150 . 1 . . . A 35 LYS CB . 34011 1 295 . 1 1 35 35 LYS CG C 13 23.720 0.150 . 1 . . . A 35 LYS CG . 34011 1 296 . 1 1 35 35 LYS CD C 13 28.037 0.150 . 1 . . . A 35 LYS CD . 34011 1 297 . 1 1 35 35 LYS CE C 13 42.353 0.150 . 1 . . . A 35 LYS CE . 34011 1 stop_ save_