data_25293 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25293 _Entry.Title ; Kalata B7 Ser mutant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-10-22 _Entry.Accession_date 2014-10-22 _Entry.Last_release_date 2015-12-21 _Entry.Original_release_date 2015-12-21 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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.Entry_ID 1 'Per Eugen' Kristiansen . . . 25293 2 Lars Skjeldal . . . 25293 3 Ulf Goransson . . . 25293 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' . 25293 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Kalata B7' . 25293 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25293 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 70 25293 '15N chemical shifts' 22 25293 '1H chemical shifts' 178 25293 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 . . 2015-12-21 . original BMRB . 25293 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MW0 'BMRB Entry Tracking System' 25293 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 25293 _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 ; Kalata B7 Ser mutant ; _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 . _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.Entry_ID _Citation_author.Citation_ID 1 'Per Eugen' Kristiansen . . . 25293 1 2 Lars Skjeldal . . . 25293 1 3 Ulf Goransson . . . 25293 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25293 _Assembly.ID 1 _Assembly.Name 'Kalata B7 Ser mutant' _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 . . . 25293 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25293 _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 ; SWPICKRNGLPVCGETCTLG TCSTQGCTC ; _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 29 _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 3021.515 _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 SER . 25293 1 2 2 TRP . 25293 1 3 3 PRO . 25293 1 4 4 ILE . 25293 1 5 5 CYS . 25293 1 6 6 LYS . 25293 1 7 7 ARG . 25293 1 8 8 ASN . 25293 1 9 9 GLY . 25293 1 10 10 LEU . 25293 1 11 11 PRO . 25293 1 12 12 VAL . 25293 1 13 13 CYS . 25293 1 14 14 GLY . 25293 1 15 15 GLU . 25293 1 16 16 THR . 25293 1 17 17 CYS . 25293 1 18 18 THR . 25293 1 19 19 LEU . 25293 1 20 20 GLY . 25293 1 21 21 THR . 25293 1 22 22 CYS . 25293 1 23 23 SER . 25293 1 24 24 THR . 25293 1 25 25 GLN . 25293 1 26 26 GLY . 25293 1 27 27 CYS . 25293 1 28 28 THR . 25293 1 29 29 CYS . 25293 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 . SER 1 1 25293 1 . TRP 2 2 25293 1 . PRO 3 3 25293 1 . ILE 4 4 25293 1 . CYS 5 5 25293 1 . LYS 6 6 25293 1 . ARG 7 7 25293 1 . ASN 8 8 25293 1 . GLY 9 9 25293 1 . LEU 10 10 25293 1 . PRO 11 11 25293 1 . VAL 12 12 25293 1 . CYS 13 13 25293 1 . GLY 14 14 25293 1 . GLU 15 15 25293 1 . THR 16 16 25293 1 . CYS 17 17 25293 1 . THR 18 18 25293 1 . LEU 19 19 25293 1 . GLY 20 20 25293 1 . THR 21 21 25293 1 . CYS 22 22 25293 1 . SER 23 23 25293 1 . THR 24 24 25293 1 . GLN 25 25 25293 1 . GLY 26 26 25293 1 . CYS 27 27 25293 1 . THR 28 28 25293 1 . CYS 29 29 25293 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 25293 _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 . . 'no natural source' . 'no natural source' . . . . . . . . . . . . . . . . . . . . 25293 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 25293 _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' 'not applicable' . . . . . . . . . . . . . . . 25293 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25293 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Water solution' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Kalata B7 mutant' 'natural abundance' . . 1 $entity . . 1 . . mM . . . . 25293 1 2 H2O 'natural abundance' . . . . . . 5 . . % . . . . 25293 1 3 D2O '[U-100% 2H]' . . . . . . 95 . . % . . . . 25293 1 4 DSS 'natural abundance' . . . . . . 0.2 . . mM . . . . 25293 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 25293 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 . pH 25293 1 pressure 1 . atm 25293 1 temperature 298 . K 25293 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25293 _Software.ID 1 _Software.Name CYANA _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25293 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25293 1 'structure solution' 25293 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25293 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 2.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25293 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25293 2 processing 25293 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25293 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25293 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25293 3 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 25293 _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 25293 _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 . . . 25293 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 25293 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25293 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25293 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25293 1 4 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25293 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25293 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 25293 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.251449530 . . . . . . . . . 25293 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25293 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329118 . . . . . . . . . 25293 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 25293 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25293 1 2 '2D 1H-13C HSQC' . . . 25293 1 4 '2D DQF-COSY' . . . 25293 1 5 '2D 1H-1H NOESY' . . . 25293 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 SER HB2 H 1 3.603 0.020 . 2 . . . A 1 SER HB2 . 25293 1 2 . 1 1 1 1 SER HB3 H 1 3.816 0.020 . 2 . . . A 1 SER HB3 . 25293 1 3 . 1 1 1 1 SER H H 1 8.905 0.020 . 1 . . . A 1 SER H1 . 25293 1 4 . 1 1 1 1 SER CB C 13 62.130 0.400 . 1 . . . A 1 SER CB . 25293 1 5 . 1 1 2 2 TRP H H 1 8.268 0.020 . 1 . . . A 2 TRP H . 25293 1 6 . 1 1 2 2 TRP HA H 1 4.021 0.020 . 1 . . . A 2 TRP HA . 25293 1 7 . 1 1 2 2 TRP HB2 H 1 3.194 0.020 . 2 . . . A 2 TRP HB2 . 25293 1 8 . 1 1 2 2 TRP HB3 H 1 3.208 0.020 . 2 . . . A 2 TRP HB3 . 25293 1 9 . 1 1 2 2 TRP HD1 H 1 7.253 0.020 . 1 . . . A 2 TRP HD1 . 25293 1 10 . 1 1 2 2 TRP HE1 H 1 10.169 0.020 . 1 . . . A 2 TRP HE1 . 25293 1 11 . 1 1 2 2 TRP HE3 H 1 7.366 0.020 . 1 . . . A 2 TRP HE3 . 25293 1 12 . 1 1 2 2 TRP HZ2 H 1 7.490 0.020 . 1 . . . A 2 TRP HZ2 . 25293 1 13 . 1 1 2 2 TRP HZ3 H 1 7.067 0.020 . 1 . . . A 2 TRP HZ3 . 25293 1 14 . 1 1 2 2 TRP HH2 H 1 7.183 0.020 . 1 . . . A 2 TRP HH2 . 25293 1 15 . 1 1 2 2 TRP CA C 13 59.121 0.400 . 1 . . . A 2 TRP CA . 25293 1 16 . 1 1 2 2 TRP CB C 13 29.689 0.400 . 1 . . . A 2 TRP CB . 25293 1 17 . 1 1 2 2 TRP CD1 C 13 128.178 0.400 . 1 . . . A 2 TRP CD1 . 25293 1 18 . 1 1 2 2 TRP CE3 C 13 121.200 0.400 . 1 . . . A 2 TRP CE3 . 25293 1 19 . 1 1 2 2 TRP CZ2 C 13 114.282 0.400 . 1 . . . A 2 TRP CZ2 . 25293 1 20 . 1 1 2 2 TRP CZ3 C 13 122.029 0.400 . 1 . . . A 2 TRP CZ3 . 25293 1 21 . 1 1 2 2 TRP CH2 C 13 124.795 0.400 . 1 . . . A 2 TRP CH2 . 25293 1 22 . 1 1 2 2 TRP N N 15 124.464 0.400 . 1 . . . A 2 TRP N . 25293 1 23 . 1 1 2 2 TRP NE1 N 15 130.175 0.400 . 1 . . . A 2 TRP NE1 . 25293 1 24 . 1 1 3 3 PRO HA H 1 3.451 0.020 . 1 . . . A 3 PRO HA . 25293 1 25 . 1 1 3 3 PRO HB2 H 1 -0.298 0.020 . 2 . . . A 3 PRO HB2 . 25293 1 26 . 1 1 3 3 PRO HB3 H 1 1.701 0.020 . 2 . . . A 3 PRO HB3 . 25293 1 27 . 1 1 3 3 PRO HG2 H 1 1.202 0.020 . 2 . . . A 3 PRO HG2 . 25293 1 28 . 1 1 3 3 PRO HG3 H 1 1.307 0.020 . 2 . . . A 3 PRO HG3 . 25293 1 29 . 1 1 3 3 PRO HD2 H 1 3.140 0.020 . 2 . . . A 3 PRO HD2 . 25293 1 30 . 1 1 3 3 PRO HD3 H 1 3.064 0.020 . 2 . . . A 3 PRO HD3 . 25293 1 31 . 1 1 3 3 PRO CA C 13 65.215 0.400 . 1 . . . A 3 PRO CA . 25293 1 32 . 1 1 3 3 PRO CB C 13 31.750 0.400 . 1 . . . A 3 PRO CB . 25293 1 33 . 1 1 3 3 PRO CG C 13 23.849 0.400 . 1 . . . A 3 PRO CG . 25293 1 34 . 1 1 3 3 PRO CD C 13 48.874 0.400 . 1 . . . A 3 PRO CD . 25293 1 35 . 1 1 4 4 ILE H H 1 8.276 0.020 . 1 . . . A 4 ILE H . 25293 1 36 . 1 1 4 4 ILE HA H 1 4.186 0.020 . 1 . . . A 4 ILE HA . 25293 1 37 . 1 1 4 4 ILE HB H 1 1.722 0.020 . 1 . . . A 4 ILE HB . 25293 1 38 . 1 1 4 4 ILE HG12 H 1 1.088 0.020 . 2 . . . A 4 ILE HG12 . 25293 1 39 . 1 1 4 4 ILE HG13 H 1 1.268 0.020 . 2 . . . A 4 ILE HG13 . 25293 1 40 . 1 1 4 4 ILE HG21 H 1 0.782 0.020 . 1 . . . A 4 ILE HG21 . 25293 1 41 . 1 1 4 4 ILE HG22 H 1 0.782 0.020 . 1 . . . A 4 ILE HG22 . 25293 1 42 . 1 1 4 4 ILE HG23 H 1 0.782 0.020 . 1 . . . A 4 ILE HG23 . 25293 1 43 . 1 1 4 4 ILE HD11 H 1 0.669 0.020 . 1 . . . A 4 ILE HD11 . 25293 1 44 . 1 1 4 4 ILE HD12 H 1 0.669 0.020 . 1 . . . A 4 ILE HD12 . 25293 1 45 . 1 1 4 4 ILE HD13 H 1 0.669 0.020 . 1 . . . A 4 ILE HD13 . 25293 1 46 . 1 1 4 4 ILE CA C 13 60.005 0.400 . 1 . . . A 4 ILE CA . 25293 1 47 . 1 1 4 4 ILE CB C 13 37.409 0.400 . 1 . . . A 4 ILE CB . 25293 1 48 . 1 1 4 4 ILE CG1 C 13 27.407 0.400 . 1 . . . A 4 ILE CG1 . 25293 1 49 . 1 1 4 4 ILE CG2 C 13 17.679 0.400 . 1 . . . A 4 ILE CG2 . 25293 1 50 . 1 1 4 4 ILE CD1 C 13 11.678 0.400 . 1 . . . A 4 ILE CD1 . 25293 1 51 . 1 1 4 4 ILE N N 15 126.955 0.400 . 1 . . . A 4 ILE N . 25293 1 52 . 1 1 5 5 CYS H H 1 7.650 0.020 . 1 . . . A 5 CYS H . 25293 1 53 . 1 1 5 5 CYS HA H 1 4.825 0.020 . 1 . . . A 5 CYS HA . 25293 1 54 . 1 1 5 5 CYS HB2 H 1 3.116 0.020 . 2 . . . A 5 CYS HB2 . 25293 1 55 . 1 1 5 5 CYS HB3 H 1 2.647 0.020 . 2 . . . A 5 CYS HB3 . 25293 1 56 . 1 1 5 5 CYS CB C 13 43.781 0.400 . 1 . . . A 5 CYS CB . 25293 1 57 . 1 1 5 5 CYS N N 15 124.228 0.400 . 1 . . . A 5 CYS N . 25293 1 58 . 1 1 6 6 LYS H H 1 9.212 0.020 . 1 . . . A 6 LYS H . 25293 1 59 . 1 1 6 6 LYS HA H 1 4.938 0.020 . 1 . . . A 6 LYS HA . 25293 1 60 . 1 1 6 6 LYS HB2 H 1 1.709 0.020 . 2 . . . A 6 LYS HB2 . 25293 1 61 . 1 1 6 6 LYS HB3 H 1 1.709 0.020 . 2 . . . A 6 LYS HB3 . 25293 1 62 . 1 1 6 6 LYS HG2 H 1 0.688 0.020 . 2 . . . A 6 LYS HG2 . 25293 1 63 . 1 1 6 6 LYS HG3 H 1 0.688 0.020 . 2 . . . A 6 LYS HG3 . 25293 1 64 . 1 1 6 6 LYS HD2 H 1 1.290 0.020 . 2 . . . A 6 LYS HD2 . 25293 1 65 . 1 1 6 6 LYS HD3 H 1 1.436 0.020 . 2 . . . A 6 LYS HD3 . 25293 1 66 . 1 1 6 6 LYS HE2 H 1 2.710 0.020 . 2 . . . A 6 LYS HE2 . 25293 1 67 . 1 1 6 6 LYS HE3 H 1 2.710 0.020 . 2 . . . A 6 LYS HE3 . 25293 1 68 . 1 1 6 6 LYS CG C 13 26.573 0.400 . 1 . . . A 6 LYS CG . 25293 1 69 . 1 1 6 6 LYS CD C 13 29.608 0.400 . 1 . . . A 6 LYS CD . 25293 1 70 . 1 1 6 6 LYS CE C 13 42.351 0.400 . 1 . . . A 6 LYS CE . 25293 1 71 . 1 1 6 6 LYS N N 15 122.395 0.400 . 1 . . . A 6 LYS N . 25293 1 72 . 1 1 7 7 ARG H H 1 8.700 0.020 . 1 . . . A 7 ARG H . 25293 1 73 . 1 1 7 7 ARG HA H 1 4.711 0.020 . 1 . . . A 7 ARG HA . 25293 1 74 . 1 1 7 7 ARG HB2 H 1 1.676 0.020 . 2 . . . A 7 ARG HB2 . 25293 1 75 . 1 1 7 7 ARG HB3 H 1 1.606 0.020 . 2 . . . A 7 ARG HB3 . 25293 1 76 . 1 1 7 7 ARG HG2 H 1 1.304 0.020 . 2 . . . A 7 ARG HG2 . 25293 1 77 . 1 1 7 7 ARG HG3 H 1 1.524 0.020 . 2 . . . A 7 ARG HG3 . 25293 1 78 . 1 1 7 7 ARG HD2 H 1 3.113 0.020 . 2 . . . A 7 ARG HD2 . 25293 1 79 . 1 1 7 7 ARG HD3 H 1 3.113 0.020 . 2 . . . A 7 ARG HD3 . 25293 1 80 . 1 1 7 7 ARG HE H 1 6.785 0.020 . 1 . . . A 7 ARG HE . 25293 1 81 . 1 1 7 7 ARG CB C 13 32.721 0.400 . 1 . . . A 7 ARG CB . 25293 1 82 . 1 1 7 7 ARG CG C 13 27.127 0.400 . 1 . . . A 7 ARG CG . 25293 1 83 . 1 1 7 7 ARG CD C 13 43.412 0.400 . 1 . . . A 7 ARG CD . 25293 1 84 . 1 1 7 7 ARG N N 15 122.102 0.400 . 1 . . . A 7 ARG N . 25293 1 85 . 1 1 8 8 ASN H H 1 7.794 0.020 . 1 . . . A 8 ASN H . 25293 1 86 . 1 1 8 8 ASN HA H 1 4.315 0.020 . 1 . . . A 8 ASN HA . 25293 1 87 . 1 1 8 8 ASN HB2 H 1 2.740 0.020 . 2 . . . A 8 ASN HB2 . 25293 1 88 . 1 1 8 8 ASN HB3 H 1 3.009 0.020 . 2 . . . A 8 ASN HB3 . 25293 1 89 . 1 1 8 8 ASN HD21 H 1 7.522 0.020 . 2 . . . A 8 ASN HD21 . 25293 1 90 . 1 1 8 8 ASN HD22 H 1 6.873 0.020 . 2 . . . A 8 ASN HD22 . 25293 1 91 . 1 1 8 8 ASN CA C 13 54.388 0.400 . 1 . . . A 8 ASN CA . 25293 1 92 . 1 1 8 8 ASN CB C 13 37.565 0.400 . 1 . . . A 8 ASN CB . 25293 1 93 . 1 1 8 8 ASN ND2 N 15 112.804 0.400 . 1 . . . A 8 ASN ND2 . 25293 1 94 . 1 1 9 9 GLY H H 1 8.652 0.020 . 1 . . . A 9 GLY H . 25293 1 95 . 1 1 9 9 GLY HA2 H 1 3.486 0.020 . 2 . . . A 9 GLY HA2 . 25293 1 96 . 1 1 9 9 GLY HA3 H 1 4.161 0.020 . 2 . . . A 9 GLY HA3 . 25293 1 97 . 1 1 9 9 GLY CA C 13 45.264 0.400 . 1 . . . A 9 GLY CA . 25293 1 98 . 1 1 9 9 GLY N N 15 101.289 0.400 . 1 . . . A 9 GLY N . 25293 1 99 . 1 1 10 10 LEU H H 1 7.791 0.020 . 1 . . . A 10 LEU H . 25293 1 100 . 1 1 10 10 LEU HA H 1 5.055 0.020 . 1 . . . A 10 LEU HA . 25293 1 101 . 1 1 10 10 LEU HB2 H 1 1.867 0.020 . 2 . . . A 10 LEU HB2 . 25293 1 102 . 1 1 10 10 LEU HB3 H 1 1.419 0.020 . 2 . . . A 10 LEU HB3 . 25293 1 103 . 1 1 10 10 LEU HG H 1 1.595 0.020 . 1 . . . A 10 LEU HG . 25293 1 104 . 1 1 10 10 LEU HD11 H 1 0.909 0.020 . 2 . . . A 10 LEU HD11 . 25293 1 105 . 1 1 10 10 LEU HD12 H 1 0.909 0.020 . 2 . . . A 10 LEU HD12 . 25293 1 106 . 1 1 10 10 LEU HD13 H 1 0.909 0.020 . 2 . . . A 10 LEU HD13 . 25293 1 107 . 1 1 10 10 LEU HD21 H 1 0.847 0.020 . 2 . . . A 10 LEU HD21 . 25293 1 108 . 1 1 10 10 LEU HD22 H 1 0.847 0.020 . 2 . . . A 10 LEU HD22 . 25293 1 109 . 1 1 10 10 LEU HD23 H 1 0.847 0.020 . 2 . . . A 10 LEU HD23 . 25293 1 110 . 1 1 10 10 LEU CA C 13 51.535 0.400 . 1 . . . A 10 LEU CA . 25293 1 111 . 1 1 10 10 LEU CB C 13 44.060 0.400 . 1 . . . A 10 LEU CB . 25293 1 112 . 1 1 10 10 LEU CG C 13 26.587 0.400 . 1 . . . A 10 LEU CG . 25293 1 113 . 1 1 10 10 LEU CD1 C 13 25.251 0.400 . 1 . . . A 10 LEU CD1 . 25293 1 114 . 1 1 10 10 LEU CD2 C 13 25.122 0.400 . 1 . . . A 10 LEU CD2 . 25293 1 115 . 1 1 10 10 LEU N N 15 120.783 0.400 . 1 . . . A 10 LEU N . 25293 1 116 . 1 1 11 11 PRO HA H 1 5.057 0.020 . 1 . . . A 11 PRO HA . 25293 1 117 . 1 1 11 11 PRO HB2 H 1 1.561 0.020 . 2 . . . A 11 PRO HB2 . 25293 1 118 . 1 1 11 11 PRO HB3 H 1 2.464 0.020 . 2 . . . A 11 PRO HB3 . 25293 1 119 . 1 1 11 11 PRO HG2 H 1 2.124 0.020 . 2 . . . A 11 PRO HG2 . 25293 1 120 . 1 1 11 11 PRO HG3 H 1 2.014 0.020 . 2 . . . A 11 PRO HG3 . 25293 1 121 . 1 1 11 11 PRO HD2 H 1 3.744 0.020 . 2 . . . A 11 PRO HD2 . 25293 1 122 . 1 1 11 11 PRO HD3 H 1 3.744 0.020 . 2 . . . A 11 PRO HD3 . 25293 1 123 . 1 1 11 11 PRO CB C 13 28.337 0.400 . 1 . . . A 11 PRO CB . 25293 1 124 . 1 1 11 11 PRO CG C 13 27.367 0.400 . 1 . . . A 11 PRO CG . 25293 1 125 . 1 1 11 11 PRO CD C 13 50.193 0.400 . 1 . . . A 11 PRO CD . 25293 1 126 . 1 1 12 12 VAL H H 1 7.971 0.020 . 1 . . . A 12 VAL H . 25293 1 127 . 1 1 12 12 VAL HA H 1 4.601 0.020 . 1 . . . A 12 VAL HA . 25293 1 128 . 1 1 12 12 VAL HB H 1 2.512 0.020 . 1 . . . A 12 VAL HB . 25293 1 129 . 1 1 12 12 VAL HG11 H 1 0.789 0.020 . 2 . . . A 12 VAL HG11 . 25293 1 130 . 1 1 12 12 VAL HG12 H 1 0.789 0.020 . 2 . . . A 12 VAL HG12 . 25293 1 131 . 1 1 12 12 VAL HG13 H 1 0.789 0.020 . 2 . . . A 12 VAL HG13 . 25293 1 132 . 1 1 12 12 VAL HG21 H 1 0.789 0.020 . 2 . . . A 12 VAL HG21 . 25293 1 133 . 1 1 12 12 VAL HG22 H 1 0.789 0.020 . 2 . . . A 12 VAL HG22 . 25293 1 134 . 1 1 12 12 VAL HG23 H 1 0.789 0.020 . 2 . . . A 12 VAL HG23 . 25293 1 135 . 1 1 12 12 VAL CB C 13 31.101 0.400 . 1 . . . A 12 VAL CB . 25293 1 136 . 1 1 12 12 VAL CG1 C 13 21.235 0.400 . 1 . . . A 12 VAL CG1 . 25293 1 137 . 1 1 12 12 VAL N N 15 115.299 0.400 . 1 . . . A 12 VAL N . 25293 1 138 . 1 1 13 13 CYS H H 1 8.103 0.020 . 1 . . . A 13 CYS H . 25293 1 139 . 1 1 13 13 CYS HA H 1 4.331 0.020 . 1 . . . A 13 CYS HA . 25293 1 140 . 1 1 13 13 CYS HB2 H 1 3.050 0.020 . 2 . . . A 13 CYS HB2 . 25293 1 141 . 1 1 13 13 CYS HB3 H 1 3.260 0.020 . 2 . . . A 13 CYS HB3 . 25293 1 142 . 1 1 13 13 CYS CA C 13 59.105 0.400 . 1 . . . A 13 CYS CA . 25293 1 143 . 1 1 13 13 CYS CB C 13 48.573 0.400 . 1 . . . A 13 CYS CB . 25293 1 144 . 1 1 14 14 GLY H H 1 8.433 0.020 . 1 . . . A 14 GLY H . 25293 1 145 . 1 1 14 14 GLY HA2 H 1 3.748 0.020 . 2 . . . A 14 GLY HA2 . 25293 1 146 . 1 1 14 14 GLY HA3 H 1 3.646 0.020 . 2 . . . A 14 GLY HA3 . 25293 1 147 . 1 1 14 14 GLY CA C 13 46.469 0.400 . 1 . . . A 14 GLY CA . 25293 1 148 . 1 1 15 15 GLU H H 1 7.064 0.020 . 1 . . . A 15 GLU H . 25293 1 149 . 1 1 15 15 GLU HA H 1 4.667 0.020 . 1 . . . A 15 GLU HA . 25293 1 150 . 1 1 15 15 GLU HB2 H 1 1.797 0.020 . 2 . . . A 15 GLU HB2 . 25293 1 151 . 1 1 15 15 GLU HB3 H 1 1.797 0.020 . 2 . . . A 15 GLU HB3 . 25293 1 152 . 1 1 15 15 GLU HG2 H 1 2.301 0.020 . 2 . . . A 15 GLU HG2 . 25293 1 153 . 1 1 15 15 GLU HG3 H 1 2.193 0.020 . 2 . . . A 15 GLU HG3 . 25293 1 154 . 1 1 15 15 GLU CB C 13 32.554 0.400 . 1 . . . A 15 GLU CB . 25293 1 155 . 1 1 15 15 GLU CG C 13 35.334 0.400 . 1 . . . A 15 GLU CG . 25293 1 156 . 1 1 15 15 GLU N N 15 115.613 0.400 . 1 . . . A 15 GLU N . 25293 1 157 . 1 1 16 16 THR H H 1 8.413 0.020 . 1 . . . A 16 THR H . 25293 1 158 . 1 1 16 16 THR HA H 1 4.525 0.020 . 1 . . . A 16 THR HA . 25293 1 159 . 1 1 16 16 THR HB H 1 4.366 0.020 . 1 . . . A 16 THR HB . 25293 1 160 . 1 1 16 16 THR HG21 H 1 1.073 0.020 . 1 . . . A 16 THR HG21 . 25293 1 161 . 1 1 16 16 THR HG22 H 1 1.073 0.020 . 1 . . . A 16 THR HG22 . 25293 1 162 . 1 1 16 16 THR HG23 H 1 1.073 0.020 . 1 . . . A 16 THR HG23 . 25293 1 163 . 1 1 16 16 THR CB C 13 70.742 0.400 . 1 . . . A 16 THR CB . 25293 1 164 . 1 1 16 16 THR CG2 C 13 21.497 0.400 . 1 . . . A 16 THR CG2 . 25293 1 165 . 1 1 16 16 THR N N 15 115.298 0.400 . 1 . . . A 16 THR N . 25293 1 166 . 1 1 17 17 CYS H H 1 8.239 0.020 . 1 . . . A 17 CYS H . 25293 1 167 . 1 1 17 17 CYS HA H 1 5.061 0.020 . 1 . . . A 17 CYS HA . 25293 1 168 . 1 1 17 17 CYS HB2 H 1 2.858 0.020 . 2 . . . A 17 CYS HB2 . 25293 1 169 . 1 1 17 17 CYS HB3 H 1 3.188 0.020 . 2 . . . A 17 CYS HB3 . 25293 1 170 . 1 1 17 17 CYS CA C 13 62.598 0.400 . 1 . . . A 17 CYS CA . 25293 1 171 . 1 1 17 17 CYS CB C 13 47.454 0.400 . 1 . . . A 17 CYS CB . 25293 1 172 . 1 1 17 17 CYS N N 15 115.927 0.400 . 1 . . . A 17 CYS N . 25293 1 173 . 1 1 18 18 THR H H 1 8.277 0.020 . 1 . . . A 18 THR H . 25293 1 174 . 1 1 18 18 THR HA H 1 3.912 0.020 . 1 . . . A 18 THR HA . 25293 1 175 . 1 1 18 18 THR HB H 1 4.066 0.020 . 1 . . . A 18 THR HB . 25293 1 176 . 1 1 18 18 THR HG21 H 1 1.199 0.020 . 1 . . . A 18 THR HG21 . 25293 1 177 . 1 1 18 18 THR HG22 H 1 1.199 0.020 . 1 . . . A 18 THR HG22 . 25293 1 178 . 1 1 18 18 THR HG23 H 1 1.199 0.020 . 1 . . . A 18 THR HG23 . 25293 1 179 . 1 1 18 18 THR CA C 13 65.404 0.400 . 1 . . . A 18 THR CA . 25293 1 180 . 1 1 18 18 THR CG2 C 13 22.219 0.400 . 1 . . . A 18 THR CG2 . 25293 1 181 . 1 1 18 18 THR N N 15 117.192 0.400 . 1 . . . A 18 THR N . 25293 1 182 . 1 1 19 19 LEU H H 1 8.474 0.020 . 1 . . . A 19 LEU H . 25293 1 183 . 1 1 19 19 LEU HA H 1 4.491 0.020 . 1 . . . A 19 LEU HA . 25293 1 184 . 1 1 19 19 LEU HB2 H 1 1.702 0.020 . 2 . . . A 19 LEU HB2 . 25293 1 185 . 1 1 19 19 LEU HB3 H 1 1.702 0.020 . 2 . . . A 19 LEU HB3 . 25293 1 186 . 1 1 19 19 LEU HG H 1 1.550 0.020 . 1 . . . A 19 LEU HG . 25293 1 187 . 1 1 19 19 LEU HD11 H 1 0.836 0.020 . 2 . . . A 19 LEU HD11 . 25293 1 188 . 1 1 19 19 LEU HD12 H 1 0.836 0.020 . 2 . . . A 19 LEU HD12 . 25293 1 189 . 1 1 19 19 LEU HD13 H 1 0.836 0.020 . 2 . . . A 19 LEU HD13 . 25293 1 190 . 1 1 19 19 LEU HD21 H 1 0.855 0.020 . 2 . . . A 19 LEU HD21 . 25293 1 191 . 1 1 19 19 LEU HD22 H 1 0.855 0.020 . 2 . . . A 19 LEU HD22 . 25293 1 192 . 1 1 19 19 LEU HD23 H 1 0.855 0.020 . 2 . . . A 19 LEU HD23 . 25293 1 193 . 1 1 19 19 LEU CB C 13 40.963 0.400 . 1 . . . A 19 LEU CB . 25293 1 194 . 1 1 19 19 LEU CG C 13 27.032 0.400 . 1 . . . A 19 LEU CG . 25293 1 195 . 1 1 19 19 LEU CD2 C 13 22.538 0.400 . 1 . . . A 19 LEU CD2 . 25293 1 196 . 1 1 20 20 GLY H H 1 8.123 0.020 . 1 . . . A 20 GLY H . 25293 1 197 . 1 1 20 20 GLY HA2 H 1 3.944 0.020 . 2 . . . A 20 GLY HA2 . 25293 1 198 . 1 1 20 20 GLY HA3 H 1 4.341 0.020 . 2 . . . A 20 GLY HA3 . 25293 1 199 . 1 1 20 20 GLY CA C 13 45.959 0.400 . 1 . . . A 20 GLY CA . 25293 1 200 . 1 1 20 20 GLY N N 15 105.833 0.400 . 1 . . . A 20 GLY N . 25293 1 201 . 1 1 21 21 THR H H 1 7.658 0.020 . 1 . . . A 21 THR H . 25293 1 202 . 1 1 21 21 THR HA H 1 4.653 0.020 . 1 . . . A 21 THR HA . 25293 1 203 . 1 1 21 21 THR HB H 1 4.063 0.020 . 1 . . . A 21 THR HB . 25293 1 204 . 1 1 21 21 THR HG21 H 1 1.081 0.020 . 1 . . . A 21 THR HG21 . 25293 1 205 . 1 1 21 21 THR HG22 H 1 1.081 0.020 . 1 . . . A 21 THR HG22 . 25293 1 206 . 1 1 21 21 THR HG23 H 1 1.081 0.020 . 1 . . . A 21 THR HG23 . 25293 1 207 . 1 1 21 21 THR CB C 13 68.777 0.400 . 1 . . . A 21 THR CB . 25293 1 208 . 1 1 21 21 THR CG2 C 13 21.170 0.400 . 1 . . . A 21 THR CG2 . 25293 1 209 . 1 1 21 21 THR N N 15 111.926 0.400 . 1 . . . A 21 THR N . 25293 1 210 . 1 1 22 22 CYS H H 1 8.470 0.020 . 1 . . . A 22 CYS H . 25293 1 211 . 1 1 22 22 CYS HA H 1 4.641 0.020 . 1 . . . A 22 CYS HA . 25293 1 212 . 1 1 22 22 CYS HB2 H 1 2.628 0.020 . 2 . . . A 22 CYS HB2 . 25293 1 213 . 1 1 22 22 CYS HB3 H 1 3.088 0.020 . 2 . . . A 22 CYS HB3 . 25293 1 214 . 1 1 22 22 CYS CB C 13 44.757 0.400 . 1 . . . A 22 CYS CB . 25293 1 215 . 1 1 23 23 SER H H 1 10.973 0.020 . 1 . . . A 23 SER H . 25293 1 216 . 1 1 23 23 SER HA H 1 4.423 0.020 . 1 . . . A 23 SER HA . 25293 1 217 . 1 1 23 23 SER HB2 H 1 3.802 0.020 . 2 . . . A 23 SER HB2 . 25293 1 218 . 1 1 23 23 SER HB3 H 1 3.802 0.020 . 2 . . . A 23 SER HB3 . 25293 1 219 . 1 1 23 23 SER CA C 13 59.914 0.400 . 1 . . . A 23 SER CA . 25293 1 220 . 1 1 23 23 SER CB C 13 64.597 0.400 . 1 . . . A 23 SER CB . 25293 1 221 . 1 1 23 23 SER N N 15 122.918 0.400 . 1 . . . A 23 SER N . 25293 1 222 . 1 1 24 24 THR H H 1 9.476 0.020 . 1 . . . A 24 THR H . 25293 1 223 . 1 1 24 24 THR HA H 1 3.979 0.020 . 1 . . . A 24 THR HA . 25293 1 224 . 1 1 24 24 THR HB H 1 4.206 0.020 . 1 . . . A 24 THR HB . 25293 1 225 . 1 1 24 24 THR HG21 H 1 1.243 0.020 . 1 . . . A 24 THR HG21 . 25293 1 226 . 1 1 24 24 THR HG22 H 1 1.243 0.020 . 1 . . . A 24 THR HG22 . 25293 1 227 . 1 1 24 24 THR HG23 H 1 1.243 0.020 . 1 . . . A 24 THR HG23 . 25293 1 228 . 1 1 24 24 THR CA C 13 63.960 0.400 . 1 . . . A 24 THR CA . 25293 1 229 . 1 1 24 24 THR CB C 13 68.471 0.400 . 1 . . . A 24 THR CB . 25293 1 230 . 1 1 24 24 THR CG2 C 13 22.437 0.400 . 1 . . . A 24 THR CG2 . 25293 1 231 . 1 1 24 24 THR N N 15 124.108 0.400 . 1 . . . A 24 THR N . 25293 1 232 . 1 1 25 25 GLN H H 1 8.714 0.020 . 1 . . . A 25 GLN H . 25293 1 233 . 1 1 25 25 GLN HA H 1 3.925 0.020 . 1 . . . A 25 GLN HA . 25293 1 234 . 1 1 25 25 GLN HB2 H 1 2.008 0.020 . 2 . . . A 25 GLN HB2 . 25293 1 235 . 1 1 25 25 GLN HB3 H 1 1.956 0.020 . 2 . . . A 25 GLN HB3 . 25293 1 236 . 1 1 25 25 GLN HG2 H 1 2.337 0.020 . 2 . . . A 25 GLN HG2 . 25293 1 237 . 1 1 25 25 GLN HG3 H 1 2.337 0.020 . 2 . . . A 25 GLN HG3 . 25293 1 238 . 1 1 25 25 GLN HE21 H 1 7.473 0.020 . 2 . . . A 25 GLN HE21 . 25293 1 239 . 1 1 25 25 GLN HE22 H 1 6.797 0.020 . 2 . . . A 25 GLN HE22 . 25293 1 240 . 1 1 25 25 GLN CA C 13 57.951 0.400 . 1 . . . A 25 GLN CA . 25293 1 241 . 1 1 25 25 GLN CB C 13 28.195 0.400 . 1 . . . A 25 GLN CB . 25293 1 242 . 1 1 25 25 GLN CG C 13 33.415 0.400 . 1 . . . A 25 GLN CG . 25293 1 243 . 1 1 25 25 GLN N N 15 128.543 0.400 . 1 . . . A 25 GLN N . 25293 1 244 . 1 1 25 25 GLN NE2 N 15 112.090 0.400 . 1 . . . A 25 GLN NE2 . 25293 1 245 . 1 1 26 26 GLY H H 1 8.810 0.020 . 1 . . . A 26 GLY H . 25293 1 246 . 1 1 26 26 GLY HA2 H 1 4.071 0.020 . 2 . . . A 26 GLY HA2 . 25293 1 247 . 1 1 26 26 GLY HA3 H 1 3.634 0.020 . 2 . . . A 26 GLY HA3 . 25293 1 248 . 1 1 26 26 GLY CA C 13 45.249 0.400 . 1 . . . A 26 GLY CA . 25293 1 249 . 1 1 27 27 CYS H H 1 7.697 0.020 . 1 . . . A 27 CYS H . 25293 1 250 . 1 1 27 27 CYS HA H 1 5.073 0.020 . 1 . . . A 27 CYS HA . 25293 1 251 . 1 1 27 27 CYS HB2 H 1 3.782 0.020 . 2 . . . A 27 CYS HB2 . 25293 1 252 . 1 1 27 27 CYS HB3 H 1 2.471 0.020 . 2 . . . A 27 CYS HB3 . 25293 1 253 . 1 1 27 27 CYS CB C 13 49.941 0.400 . 1 . . . A 27 CYS CB . 25293 1 254 . 1 1 27 27 CYS N N 15 117.687 0.400 . 1 . . . A 27 CYS N . 25293 1 255 . 1 1 28 28 THR H H 1 9.354 0.020 . 1 . . . A 28 THR H . 25293 1 256 . 1 1 28 28 THR HA H 1 4.488 0.020 . 1 . . . A 28 THR HA . 25293 1 257 . 1 1 28 28 THR HB H 1 4.049 0.020 . 1 . . . A 28 THR HB . 25293 1 258 . 1 1 28 28 THR HG21 H 1 1.087 0.020 . 1 . . . A 28 THR HG21 . 25293 1 259 . 1 1 28 28 THR HG22 H 1 1.087 0.020 . 1 . . . A 28 THR HG22 . 25293 1 260 . 1 1 28 28 THR HG23 H 1 1.087 0.020 . 1 . . . A 28 THR HG23 . 25293 1 261 . 1 1 28 28 THR CA C 13 60.019 0.400 . 1 . . . A 28 THR CA . 25293 1 262 . 1 1 28 28 THR CB C 13 71.515 0.400 . 1 . . . A 28 THR CB . 25293 1 263 . 1 1 28 28 THR CG2 C 13 19.463 0.400 . 1 . . . A 28 THR CG2 . 25293 1 264 . 1 1 28 28 THR N N 15 115.298 0.400 . 1 . . . A 28 THR N . 25293 1 265 . 1 1 29 29 CYS H H 1 9.034 0.020 . 1 . . . A 29 CYS H . 25293 1 266 . 1 1 29 29 CYS HA H 1 4.440 0.020 . 1 . . . A 29 CYS HA . 25293 1 267 . 1 1 29 29 CYS HB2 H 1 2.789 0.020 . 2 . . . A 29 CYS HB2 . 25293 1 268 . 1 1 29 29 CYS HB3 H 1 3.034 0.020 . 2 . . . A 29 CYS HB3 . 25293 1 269 . 1 1 29 29 CYS CA C 13 56.329 0.400 . 1 . . . A 29 CYS CA . 25293 1 270 . 1 1 29 29 CYS CB C 13 40.248 0.400 . 1 . . . A 29 CYS CB . 25293 1 stop_ save_