data_16187 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16187 _Entry.Title ; Backbone 1H Chemical Shift Assignments for FP1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-02-26 _Entry.Accession_date 2009-02-26 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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.Entry_ID 1 Mitsugu Araki . . . 16187 2 Atsuo Tamura . . . 16187 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 . 'not applicable' 'not applicable' . 16187 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID protein . 16187 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16187 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 225 16187 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-06-02 2009-02-26 update BMRB 'edit assembly name' 16187 1 . . 2009-04-17 2009-02-26 original author 'original release' 16187 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KFQ 'BMRB Entry Tracking System' 16187 stop_ save_ ############### # Citations # ############### save_citation1 _Citation.Sf_category citations _Citation.Sf_framecode citation1 _Citation.Entry_ID 16187 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19292861 _Citation.Full_citation . _Citation.Title ; Solubility-dependent structural formation of a 25-residue natively unfolded protein, induced by addition of a seven-residue peptide fragment ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS J.' _Citation.Journal_name_full 'The FEBS Journal' _Citation.Journal_volume 276 _Citation.Journal_issue 8 _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 2336 _Citation.Page_last 2347 _Citation.Year 2009 _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 Mitsugu Araki . . . 16187 1 2 Atsuo Tamura . . . 16187 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16187 _Assembly.ID 1 _Assembly.Name FP1 _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 FP1 1 $FP1 A . yes native no no . . . 16187 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FP1 _Entity.Sf_category entity _Entity.Sf_framecode FP1 _Entity.Entry_ID 16187 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FP1 _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 ; YAFACPACPKRFMRSDALSK HIKTAFIVVALG ; _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 32 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3519.278 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2KFQ . "Nmr Structure Of Fp1" . . . . . 100.00 32 100.00 100.00 1.52e-13 . . . . 16187 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 . TYR . 16187 1 2 . ALA . 16187 1 3 . PHE . 16187 1 4 . ALA . 16187 1 5 . CYS . 16187 1 6 . PRO . 16187 1 7 . ALA . 16187 1 8 . CYS . 16187 1 9 . PRO . 16187 1 10 . LYS . 16187 1 11 . ARG . 16187 1 12 . PHE . 16187 1 13 . MET . 16187 1 14 . ARG . 16187 1 15 . SER . 16187 1 16 . ASP . 16187 1 17 . ALA . 16187 1 18 . LEU . 16187 1 19 . SER . 16187 1 20 . LYS . 16187 1 21 . HIS . 16187 1 22 . ILE . 16187 1 23 . LYS . 16187 1 24 . THR . 16187 1 25 . ALA . 16187 1 26 . PHE . 16187 1 27 . ILE . 16187 1 28 . VAL . 16187 1 29 . VAL . 16187 1 30 . ALA . 16187 1 31 . LEU . 16187 1 32 . GLY . 16187 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 . TYR 1 1 16187 1 . ALA 2 2 16187 1 . PHE 3 3 16187 1 . ALA 4 4 16187 1 . CYS 5 5 16187 1 . PRO 6 6 16187 1 . ALA 7 7 16187 1 . CYS 8 8 16187 1 . PRO 9 9 16187 1 . LYS 10 10 16187 1 . ARG 11 11 16187 1 . PHE 12 12 16187 1 . MET 13 13 16187 1 . ARG 14 14 16187 1 . SER 15 15 16187 1 . ASP 16 16 16187 1 . ALA 17 17 16187 1 . LEU 18 18 16187 1 . SER 19 19 16187 1 . LYS 20 20 16187 1 . HIS 21 21 16187 1 . ILE 22 22 16187 1 . LYS 23 23 16187 1 . THR 24 24 16187 1 . ALA 25 25 16187 1 . PHE 26 26 16187 1 . ILE 27 27 16187 1 . VAL 28 28 16187 1 . VAL 29 29 16187 1 . ALA 30 30 16187 1 . LEU 31 31 16187 1 . GLY 32 32 16187 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 16187 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $FP1 . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16187 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 16187 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $FP1 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16187 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16187 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '3mM protein concentration' _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 FP1 'natural abundance' . . 1 $FP1 . . 3 . . mM . . . . 16187 1 2 'acetic acid' '[U-100% 2H]' . . . . . . 25 . . mM . . . . 16187 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16187 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 16187 _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' 50 . mM 16187 1 pH 3.0 . pH 16187 1 pressure 1 . atm 16187 1 temperature 293.15 . K 16187 1 stop_ save_ ############################ # Computer software used # ############################ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 16187 _Software.ID 1 _Software.Name DYANA _Software.Version 1.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Braun and Wuthrich' . . 16187 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16187 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16187 _Software.ID 2 _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' . . 16187 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16187 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16187 _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 . . 16187 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16187 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 16187 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 16187 _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 DMX . 750 . . . 16187 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 16187 _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 COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16187 1 2 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16187 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16187 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16187 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 16187 _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 . . . . . . ppm . . . . . . . . . . . . . 16187 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 16187 _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 COSY' . . . 16187 1 2 '2D DQF-COSY' . . . 16187 1 3 '2D 1H-1H NOESY' . . . 16187 1 4 '2D 1H-1H TOCSY' . . . 16187 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 TYR HA H 1 4.157 0.003 . 1 . . . . 1 Y HA . 16187 1 2 . 1 1 1 1 TYR HB2 H 1 3.021 0.007 . 2 . . . . 1 Y QB . 16187 1 3 . 1 1 1 1 TYR HB3 H 1 3.021 0.007 . 2 . . . . 1 Y QB . 16187 1 4 . 1 1 1 1 TYR HD1 H 1 7.065 0.009 . 3 . . . . 1 Y QD . 16187 1 5 . 1 1 1 1 TYR HD2 H 1 7.065 0.009 . 3 . . . . 1 Y QD . 16187 1 6 . 1 1 1 1 TYR HE1 H 1 6.823 0.007 . 3 . . . . 1 Y QE . 16187 1 7 . 1 1 1 1 TYR HE2 H 1 6.823 0.007 . 3 . . . . 1 Y QE . 16187 1 8 . 1 1 2 2 ALA H H 1 8.459 0.004 . 1 . . . . 2 A HN . 16187 1 9 . 1 1 2 2 ALA HA H 1 4.342 0.006 . 1 . . . . 2 A HA . 16187 1 10 . 1 1 2 2 ALA HB1 H 1 1.279 0.006 . . . . . . 2 A QB . 16187 1 11 . 1 1 2 2 ALA HB2 H 1 1.279 0.006 . . . . . . 2 A QB . 16187 1 12 . 1 1 2 2 ALA HB3 H 1 1.279 0.006 . . . . . . 2 A QB . 16187 1 13 . 1 1 3 3 PHE H H 1 8.094 0.006 . 1 . . . . 3 F HN . 16187 1 14 . 1 1 3 3 PHE HA H 1 4.570 0.009 . 1 . . . . 3 F HA . 16187 1 15 . 1 1 3 3 PHE HB2 H 1 3.028 0.000 . 2 . . . . 3 F HB2 . 16187 1 16 . 1 1 3 3 PHE HB3 H 1 3.123 0.007 . 2 . . . . 3 F HB3 . 16187 1 17 . 1 1 3 3 PHE HD1 H 1 7.275 0.008 . 3 . . . . 3 F QD . 16187 1 18 . 1 1 3 3 PHE HD2 H 1 7.275 0.008 . 3 . . . . 3 F QD . 16187 1 19 . 1 1 3 3 PHE HE1 H 1 7.344 0.006 . 3 . . . . 3 F QE . 16187 1 20 . 1 1 3 3 PHE HE2 H 1 7.344 0.006 . 3 . . . . 3 F QE . 16187 1 21 . 1 1 4 4 ALA H H 1 8.276 0.010 . 1 . . . . 4 A HN . 16187 1 22 . 1 1 4 4 ALA HA H 1 4.310 0.013 . 1 . . . . 4 A HA . 16187 1 23 . 1 1 4 4 ALA HB1 H 1 1.323 0.004 . . . . . . 4 A QB . 16187 1 24 . 1 1 4 4 ALA HB2 H 1 1.323 0.004 . . . . . . 4 A QB . 16187 1 25 . 1 1 4 4 ALA HB3 H 1 1.323 0.004 . . . . . . 4 A QB . 16187 1 26 . 1 1 5 5 CYS H H 1 8.362 0.011 . 1 . . . . 5 C HN . 16187 1 27 . 1 1 5 5 CYS HA H 1 4.722 0.009 . 1 . . . . 5 C HA . 16187 1 28 . 1 1 5 5 CYS HB2 H 1 2.855 0.009 . 2 . . . . 5 C HB2 . 16187 1 29 . 1 1 5 5 CYS HB3 H 1 2.923 0.006 . 2 . . . . 5 C HB3 . 16187 1 30 . 1 1 6 6 PRO HA H 1 4.412 0.004 . 1 . . . . 6 P HA . 16187 1 31 . 1 1 6 6 PRO HB2 H 1 2.016 0.003 . 2 . . . . 6 P HB2 . 16187 1 32 . 1 1 6 6 PRO HB3 H 1 2.301 0.010 . 2 . . . . 6 P HB3 . 16187 1 33 . 1 1 6 6 PRO HD2 H 1 3.766 0.014 . 2 . . . . 6 P HD2 . 16187 1 34 . 1 1 6 6 PRO HD3 H 1 3.791 0.009 . 2 . . . . 6 P HD3 . 16187 1 35 . 1 1 6 6 PRO HG2 H 1 1.906 0.006 . 2 . . . . 6 P QG . 16187 1 36 . 1 1 6 6 PRO HG3 H 1 1.906 0.006 . 2 . . . . 6 P QG . 16187 1 37 . 1 1 7 7 ALA H H 1 8.376 0.009 . 1 . . . . 7 A HN . 16187 1 38 . 1 1 7 7 ALA HA H 1 4.312 0.008 . 1 . . . . 7 A HA . 16187 1 39 . 1 1 7 7 ALA HB1 H 1 1.378 0.006 . . . . . . 7 A QB . 16187 1 40 . 1 1 7 7 ALA HB2 H 1 1.378 0.006 . . . . . . 7 A QB . 16187 1 41 . 1 1 7 7 ALA HB3 H 1 1.378 0.006 . . . . . . 7 A QB . 16187 1 42 . 1 1 8 8 CYS H H 1 8.370 0.003 . 1 . . . . 8 C HN . 16187 1 43 . 1 1 8 8 CYS HA H 1 4.762 0.010 . 1 . . . . 8 C HA . 16187 1 44 . 1 1 8 8 CYS HB2 H 1 2.890 0.001 . 2 . . . . 8 C HB2 . 16187 1 45 . 1 1 8 8 CYS HB3 H 1 2.917 0.004 . 2 . . . . 8 C HB3 . 16187 1 46 . 1 1 9 9 PRO HA H 1 4.409 0.003 . 1 . . . . 9 P HA . 16187 1 47 . 1 1 9 9 PRO HB2 H 1 2.017 0.005 . 2 . . . . 9 P HB2 . 16187 1 48 . 1 1 9 9 PRO HB3 H 1 2.300 0.006 . 2 . . . . 9 P HB3 . 16187 1 49 . 1 1 9 9 PRO HD2 H 1 3.763 0.007 . 2 . . . . 9 P HD2 . 16187 1 50 . 1 1 9 9 PRO HD3 H 1 3.791 0.005 . 2 . . . . 9 P HD3 . 16187 1 51 . 1 1 9 9 PRO HG2 H 1 1.907 0.000 . 2 . . . . 9 P QG . 16187 1 52 . 1 1 9 9 PRO HG3 H 1 1.907 0.000 . 2 . . . . 9 P QG . 16187 1 53 . 1 1 10 10 LYS H H 1 8.383 0.009 . 1 . . . . 10 K HN . 16187 1 54 . 1 1 10 10 LYS HA H 1 4.220 0.004 . 1 . . . . 10 K HA . 16187 1 55 . 1 1 10 10 LYS HB2 H 1 1.743 0.008 . 2 . . . . 10 K QB . 16187 1 56 . 1 1 10 10 LYS HB3 H 1 1.743 0.008 . 2 . . . . 10 K QB . 16187 1 57 . 1 1 10 10 LYS HD2 H 1 1.695 0.000 . 2 . . . . 10 K QD . 16187 1 58 . 1 1 10 10 LYS HD3 H 1 1.695 0.000 . 2 . . . . 10 K QD . 16187 1 59 . 1 1 10 10 LYS HE2 H 1 2.999 0.000 . 2 . . . . 10 K QE . 16187 1 60 . 1 1 10 10 LYS HE3 H 1 2.999 0.000 . 2 . . . . 10 K QE . 16187 1 61 . 1 1 10 10 LYS HG2 H 1 1.455 0.004 . 2 . . . . 10 K QG . 16187 1 62 . 1 1 10 10 LYS HG3 H 1 1.455 0.004 . 2 . . . . 10 K QG . 16187 1 63 . 1 1 11 11 ARG H H 1 8.266 0.010 . 1 . . . . 11 R HN . 16187 1 64 . 1 1 11 11 ARG HA H 1 4.279 0.007 . 1 . . . . 11 R HA . 16187 1 65 . 1 1 11 11 ARG HB2 H 1 1.696 0.008 . 2 . . . . 11 R QB . 16187 1 66 . 1 1 11 11 ARG HB3 H 1 1.696 0.008 . 2 . . . . 11 R QB . 16187 1 67 . 1 1 11 11 ARG HD2 H 1 3.124 0.003 . 2 . . . . 11 R QD . 16187 1 68 . 1 1 11 11 ARG HD3 H 1 3.124 0.003 . 2 . . . . 11 R QD . 16187 1 69 . 1 1 11 11 ARG HE H 1 7.159 0.006 . 1 . . . . 11 R HE . 16187 1 70 . 1 1 11 11 ARG HG2 H 1 1.455 0.002 . 2 . . . . 11 R QG . 16187 1 71 . 1 1 11 11 ARG HG3 H 1 1.455 0.002 . 2 . . . . 11 R QG . 16187 1 72 . 1 1 12 12 PHE H H 1 8.300 0.010 . 1 . . . . 12 F HN . 16187 1 73 . 1 1 12 12 PHE HA H 1 4.643 0.011 . 1 . . . . 12 F HA . 16187 1 74 . 1 1 12 12 PHE HB2 H 1 3.016 0.008 . 2 . . . . 12 F HB2 . 16187 1 75 . 1 1 12 12 PHE HB3 H 1 3.122 0.006 . 2 . . . . 12 F HB3 . 16187 1 76 . 1 1 12 12 PHE HD1 H 1 7.241 0.007 . 3 . . . . 12 F QD . 16187 1 77 . 1 1 12 12 PHE HD2 H 1 7.241 0.007 . 3 . . . . 12 F QD . 16187 1 78 . 1 1 12 12 PHE HE1 H 1 7.314 0.008 . 3 . . . . 12 F QE . 16187 1 79 . 1 1 12 12 PHE HE2 H 1 7.314 0.008 . 3 . . . . 12 F QE . 16187 1 80 . 1 1 12 12 PHE HZ H 1 7.330 0.005 . 1 . . . . 12 F HZ . 16187 1 81 . 1 1 13 13 MET H H 1 8.232 0.007 . 1 . . . . 13 M HN . 16187 1 82 . 1 1 13 13 MET HA H 1 4.457 0.007 . 1 . . . . 13 M HA . 16187 1 83 . 1 1 13 13 MET HB2 H 1 1.952 0.004 . 2 . . . . 13 M HB2 . 16187 1 84 . 1 1 13 13 MET HB3 H 1 2.033 0.006 . 2 . . . . 13 M HB3 . 16187 1 85 . 1 1 13 13 MET HG2 H 1 2.483 0.007 . 2 . . . . 13 M HG2 . 16187 1 86 . 1 1 13 13 MET HG3 H 1 2.538 0.007 . 2 . . . . 13 M HG3 . 16187 1 87 . 1 1 14 14 ARG H H 1 8.394 0.004 . 1 . . . . 14 R HN . 16187 1 88 . 1 1 14 14 ARG HA H 1 4.319 0.007 . 1 . . . . 14 R HA . 16187 1 89 . 1 1 14 14 ARG HB2 H 1 1.785 0.003 . 2 . . . . 14 R HB2 . 16187 1 90 . 1 1 14 14 ARG HB3 H 1 1.889 0.008 . 2 . . . . 14 R HB3 . 16187 1 91 . 1 1 14 14 ARG HD2 H 1 3.222 0.007 . 2 . . . . 14 R QD . 16187 1 92 . 1 1 14 14 ARG HD3 H 1 3.222 0.007 . 2 . . . . 14 R QD . 16187 1 93 . 1 1 14 14 ARG HE H 1 7.297 0.004 . 1 . . . . 14 R HE . 16187 1 94 . 1 1 14 14 ARG HG2 H 1 1.675 0.008 . 2 . . . . 14 R QG . 16187 1 95 . 1 1 14 14 ARG HG3 H 1 1.675 0.008 . 2 . . . . 14 R QG . 16187 1 96 . 1 1 15 15 SER H H 1 8.448 0.006 . 1 . . . . 15 S HN . 16187 1 97 . 1 1 15 15 SER HA H 1 4.435 0.006 . 1 . . . . 15 S HA . 16187 1 98 . 1 1 15 15 SER HB2 H 1 3.854 0.008 . 2 . . . . 15 S HB2 . 16187 1 99 . 1 1 15 15 SER HB3 H 1 3.927 0.001 . 2 . . . . 15 S HB3 . 16187 1 100 . 1 1 16 16 ASP H H 1 8.541 0.004 . 1 . . . . 16 D HN . 16187 1 101 . 1 1 16 16 ASP HA H 1 4.704 0.006 . 1 . . . . 16 D HA . 16187 1 102 . 1 1 16 16 ASP HB2 H 1 2.850 0.010 . 2 . . . . 16 D QB . 16187 1 103 . 1 1 16 16 ASP HB3 H 1 2.850 0.010 . 2 . . . . 16 D QB . 16187 1 104 . 1 1 17 17 ALA H H 1 8.239 0.003 . 1 . . . . 17 A HN . 16187 1 105 . 1 1 17 17 ALA HA H 1 4.273 0.007 . 1 . . . . 17 A HA . 16187 1 106 . 1 1 17 17 ALA HB1 H 1 1.403 0.009 . . . . . . 17 A QB . 16187 1 107 . 1 1 17 17 ALA HB2 H 1 1.403 0.009 . . . . . . 17 A QB . 16187 1 108 . 1 1 17 17 ALA HB3 H 1 1.403 0.009 . . . . . . 17 A QB . 16187 1 109 . 1 1 18 18 LEU H H 1 8.148 0.006 . 1 . . . . 18 L HN . 16187 1 110 . 1 1 18 18 LEU HA H 1 4.351 0.003 . 1 . . . . 18 L HA . 16187 1 111 . 1 1 18 18 LEU HB2 H 1 1.671 0.012 . 2 . . . . 18 L QB . 16187 1 112 . 1 1 18 18 LEU HB3 H 1 1.671 0.012 . 2 . . . . 18 L QB . 16187 1 113 . 1 1 18 18 LEU HD11 H 1 0.901 0.008 . . . . . . 18 L QD1 . 16187 1 114 . 1 1 18 18 LEU HD12 H 1 0.901 0.008 . . . . . . 18 L QD1 . 16187 1 115 . 1 1 18 18 LEU HD13 H 1 0.901 0.008 . . . . . . 18 L QD1 . 16187 1 116 . 1 1 18 18 LEU HD21 H 1 0.947 0.004 . . . . . . 18 L QD2 . 16187 1 117 . 1 1 18 18 LEU HD22 H 1 0.947 0.004 . . . . . . 18 L QD2 . 16187 1 118 . 1 1 18 18 LEU HD23 H 1 0.947 0.004 . . . . . . 18 L QD2 . 16187 1 119 . 1 1 18 18 LEU HG H 1 1.615 0.010 . 1 . . . . 18 L HG . 16187 1 120 . 1 1 19 19 SER H H 1 8.137 0.002 . 1 . . . . 19 S HN . 16187 1 121 . 1 1 19 19 SER HA H 1 4.383 0.005 . 1 . . . . 19 S HA . 16187 1 122 . 1 1 19 19 SER HB2 H 1 3.845 0.012 . 2 . . . . 19 S HB2 . 16187 1 123 . 1 1 19 19 SER HB3 H 1 3.889 0.014 . 2 . . . . 19 S HB3 . 16187 1 124 . 1 1 20 20 LYS H H 1 8.226 0.004 . 1 . . . . 20 K HN . 16187 1 125 . 1 1 20 20 LYS HA H 1 4.296 0.005 . 1 . . . . 20 K HA . 16187 1 126 . 1 1 20 20 LYS HB2 H 1 1.708 0.001 . 2 . . . . 20 K HB2 . 16187 1 127 . 1 1 20 20 LYS HB3 H 1 1.792 0.012 . 2 . . . . 20 K HB3 . 16187 1 128 . 1 1 20 20 LYS HD2 H 1 1.683 0.002 . 2 . . . . 20 K QD . 16187 1 129 . 1 1 20 20 LYS HD3 H 1 1.683 0.002 . 2 . . . . 20 K QD . 16187 1 130 . 1 1 20 20 LYS HE2 H 1 2.992 0.013 . 2 . . . . 20 K QE . 16187 1 131 . 1 1 20 20 LYS HE3 H 1 2.992 0.013 . 2 . . . . 20 K QE . 16187 1 132 . 1 1 20 20 LYS HG2 H 1 1.377 0.007 . 2 . . . . 20 K HG2 . 16187 1 133 . 1 1 20 20 LYS HG3 H 1 1.443 0.000 . 2 . . . . 20 K HG3 . 16187 1 134 . 1 1 21 21 HIS H H 1 8.491 0.008 . 1 . . . . 21 H HN . 16187 1 135 . 1 1 21 21 HIS HA H 1 4.714 0.008 . 1 . . . . 21 H HA . 16187 1 136 . 1 1 21 21 HIS HB2 H 1 3.155 0.004 . 2 . . . . 21 H HB2 . 16187 1 137 . 1 1 21 21 HIS HB3 H 1 3.249 0.010 . 2 . . . . 21 H HB3 . 16187 1 138 . 1 1 21 21 HIS HD2 H 1 7.281 0.003 . 1 . . . . 21 H HD2 . 16187 1 139 . 1 1 21 21 HIS HE1 H 1 8.622 0.004 . 1 . . . . 21 H HE1 . 16187 1 140 . 1 1 22 22 ILE H H 1 8.215 0.005 . 1 . . . . 22 I HN . 16187 1 141 . 1 1 22 22 ILE HA H 1 4.176 0.004 . 1 . . . . 22 I HA . 16187 1 142 . 1 1 22 22 ILE HB H 1 1.844 0.004 . 1 . . . . 22 I HB . 16187 1 143 . 1 1 22 22 ILE HD11 H 1 0.860 0.007 . . . . . . 22 I QD1 . 16187 1 144 . 1 1 22 22 ILE HD12 H 1 0.860 0.007 . . . . . . 22 I QD1 . 16187 1 145 . 1 1 22 22 ILE HD13 H 1 0.860 0.007 . . . . . . 22 I QD1 . 16187 1 146 . 1 1 22 22 ILE HG12 H 1 1.174 0.001 . 2 . . . . 22 I HG12 . 16187 1 147 . 1 1 22 22 ILE HG13 H 1 1.451 0.004 . 2 . . . . 22 I HG13 . 16187 1 148 . 1 1 22 22 ILE HG21 H 1 0.906 0.005 . . . . . . 22 I QG2 . 16187 1 149 . 1 1 22 22 ILE HG22 H 1 0.906 0.005 . . . . . . 22 I QG2 . 16187 1 150 . 1 1 22 22 ILE HG23 H 1 0.906 0.005 . . . . . . 22 I QG2 . 16187 1 151 . 1 1 23 23 LYS H H 1 8.548 0.005 . 1 . . . . 23 K HN . 16187 1 152 . 1 1 23 23 LYS HA H 1 4.374 0.005 . 1 . . . . 23 K HA . 16187 1 153 . 1 1 23 23 LYS HB2 H 1 1.768 0.007 . 2 . . . . 23 K HB2 . 16187 1 154 . 1 1 23 23 LYS HB3 H 1 1.848 0.006 . 2 . . . . 23 K HB3 . 16187 1 155 . 1 1 23 23 LYS HD2 H 1 1.718 0.000 . 2 . . . . 23 K QD . 16187 1 156 . 1 1 23 23 LYS HD3 H 1 1.718 0.000 . 2 . . . . 23 K QD . 16187 1 157 . 1 1 23 23 LYS HE2 H 1 3.011 0.004 . 2 . . . . 23 K QE . 16187 1 158 . 1 1 23 23 LYS HE3 H 1 3.011 0.004 . 2 . . . . 23 K QE . 16187 1 159 . 1 1 23 23 LYS HG2 H 1 1.405 0.008 . 2 . . . . 23 K HG2 . 16187 1 160 . 1 1 23 23 LYS HG3 H 1 1.471 0.011 . 2 . . . . 23 K HG3 . 16187 1 161 . 1 1 24 24 THR H H 1 8.152 0.003 . 1 . . . . 24 T HN . 16187 1 162 . 1 1 24 24 THR HA H 1 4.286 0.006 . 1 . . . . 24 T HA . 16187 1 163 . 1 1 24 24 THR HB H 1 4.151 0.007 . 1 . . . . 24 T HB . 16187 1 164 . 1 1 24 24 THR HG21 H 1 1.173 0.007 . . . . . . 24 T QG2 . 16187 1 165 . 1 1 24 24 THR HG22 H 1 1.173 0.007 . . . . . . 24 T QG2 . 16187 1 166 . 1 1 24 24 THR HG23 H 1 1.173 0.007 . . . . . . 24 T QG2 . 16187 1 167 . 1 1 25 25 ALA H H 1 8.315 0.006 . 1 . . . . 25 A HN . 16187 1 168 . 1 1 25 25 ALA HA H 1 4.307 0.008 . 1 . . . . 25 A HA . 16187 1 169 . 1 1 25 25 ALA HB1 H 1 1.310 0.009 . . . . . . 25 A QB . 16187 1 170 . 1 1 25 25 ALA HB2 H 1 1.310 0.009 . . . . . . 25 A QB . 16187 1 171 . 1 1 25 25 ALA HB3 H 1 1.310 0.009 . . . . . . 25 A QB . 16187 1 172 . 1 1 26 26 PHE H H 1 8.176 0.006 . 1 . . . . 26 F HN . 16187 1 173 . 1 1 26 26 PHE HA H 1 4.639 0.009 . 1 . . . . 26 F HA . 16187 1 174 . 1 1 26 26 PHE HB2 H 1 3.013 0.005 . 2 . . . . 26 F HB2 . 16187 1 175 . 1 1 26 26 PHE HB3 H 1 3.102 0.008 . 2 . . . . 26 F HB3 . 16187 1 176 . 1 1 26 26 PHE HD1 H 1 7.234 0.007 . 3 . . . . 26 F QD . 16187 1 177 . 1 1 26 26 PHE HD2 H 1 7.234 0.007 . 3 . . . . 26 F QD . 16187 1 178 . 1 1 26 26 PHE HE1 H 1 7.348 0.004 . 3 . . . . 26 F QE . 16187 1 179 . 1 1 26 26 PHE HE2 H 1 7.348 0.004 . 3 . . . . 26 F QE . 16187 1 180 . 1 1 26 26 PHE HZ H 1 7.326 0.002 . 1 . . . . 26 F HZ . 16187 1 181 . 1 1 27 27 ILE H H 1 8.063 0.007 . 1 . . . . 27 I HN . 16187 1 182 . 1 1 27 27 ILE HA H 1 4.141 0.008 . 1 . . . . 27 I HA . 16187 1 183 . 1 1 27 27 ILE HB H 1 1.759 0.005 . 1 . . . . 27 I HB . 16187 1 184 . 1 1 27 27 ILE HG12 H 1 1.131 0.005 . 2 . . . . 27 I HG12 . 16187 1 185 . 1 1 27 27 ILE HG13 H 1 1.446 0.002 . 2 . . . . 27 I HG13 . 16187 1 186 . 1 1 27 27 ILE HG21 H 1 0.836 0.005 . . . . . . 27 I QG2 . 16187 1 187 . 1 1 27 27 ILE HG22 H 1 0.836 0.005 . . . . . . 27 I QG2 . 16187 1 188 . 1 1 27 27 ILE HG23 H 1 0.836 0.005 . . . . . . 27 I QG2 . 16187 1 189 . 1 1 28 28 VAL H H 1 8.306 0.001 . 1 . . . . 28 V HN . 16187 1 190 . 1 1 28 28 VAL HA H 1 4.061 0.003 . 1 . . . . 28 V HA . 16187 1 191 . 1 1 28 28 VAL HB H 1 2.019 0.006 . 1 . . . . 28 V HB . 16187 1 192 . 1 1 28 28 VAL HG11 H 1 0.918 0.007 . . . . . . 28 V QG1 . 16187 1 193 . 1 1 28 28 VAL HG12 H 1 0.918 0.007 . . . . . . 28 V QG1 . 16187 1 194 . 1 1 28 28 VAL HG13 H 1 0.918 0.007 . . . . . . 28 V QG1 . 16187 1 195 . 1 1 28 28 VAL HG21 H 1 0.972 0.003 . . . . . . 28 V QG2 . 16187 1 196 . 1 1 28 28 VAL HG22 H 1 0.972 0.003 . . . . . . 28 V QG2 . 16187 1 197 . 1 1 28 28 VAL HG23 H 1 0.972 0.003 . . . . . . 28 V QG2 . 16187 1 198 . 1 1 29 29 VAL H H 1 8.298 0.008 . 1 . . . . 29 V HN . 16187 1 199 . 1 1 29 29 VAL HA H 1 4.084 0.003 . 1 . . . . 29 V HA . 16187 1 200 . 1 1 29 29 VAL HB H 1 2.030 0.006 . 1 . . . . 29 V HB . 16187 1 201 . 1 1 29 29 VAL HG11 H 1 0.932 0.008 . . . . . . 29 V QQG . 16187 1 202 . 1 1 29 29 VAL HG12 H 1 0.932 0.008 . . . . . . 29 V QQG . 16187 1 203 . 1 1 29 29 VAL HG13 H 1 0.932 0.008 . . . . . . 29 V QQG . 16187 1 204 . 1 1 29 29 VAL HG21 H 1 0.932 0.008 . . . . . . 29 V QQG . 16187 1 205 . 1 1 29 29 VAL HG22 H 1 0.932 0.008 . . . . . . 29 V QQG . 16187 1 206 . 1 1 29 29 VAL HG23 H 1 0.932 0.008 . . . . . . 29 V QQG . 16187 1 207 . 1 1 30 30 ALA H H 1 8.426 0.007 . 1 . . . . 30 A HN . 16187 1 208 . 1 1 30 30 ALA HA H 1 4.359 0.000 . 1 . . . . 30 A HA . 16187 1 209 . 1 1 30 30 ALA HB1 H 1 1.379 0.008 . . . . . . 30 A QB . 16187 1 210 . 1 1 30 30 ALA HB2 H 1 1.379 0.008 . . . . . . 30 A QB . 16187 1 211 . 1 1 30 30 ALA HB3 H 1 1.379 0.008 . . . . . . 30 A QB . 16187 1 212 . 1 1 31 31 LEU H H 1 8.336 0.009 . 1 . . . . 31 L HN . 16187 1 213 . 1 1 31 31 LEU HA H 1 4.354 0.005 . 1 . . . . 31 L HA . 16187 1 214 . 1 1 31 31 LEU HB2 H 1 1.665 0.005 . 2 . . . . 31 L QB . 16187 1 215 . 1 1 31 31 LEU HB3 H 1 1.665 0.005 . 2 . . . . 31 L QB . 16187 1 216 . 1 1 31 31 LEU HD11 H 1 0.880 0.000 . . . . . . 31 L QD1 . 16187 1 217 . 1 1 31 31 LEU HD12 H 1 0.880 0.000 . . . . . . 31 L QD1 . 16187 1 218 . 1 1 31 31 LEU HD13 H 1 0.880 0.000 . . . . . . 31 L QD1 . 16187 1 219 . 1 1 31 31 LEU HD21 H 1 0.941 0.000 . . . . . . 31 L QD2 . 16187 1 220 . 1 1 31 31 LEU HD22 H 1 0.941 0.000 . . . . . . 31 L QD2 . 16187 1 221 . 1 1 31 31 LEU HD23 H 1 0.941 0.000 . . . . . . 31 L QD2 . 16187 1 222 . 1 1 31 31 LEU HG H 1 1.625 0.004 . 1 . . . . 31 L HG . 16187 1 223 . 1 1 32 32 GLY H H 1 8.288 0.015 . 1 . . . . 32 G HN . 16187 1 224 . 1 1 32 32 GLY HA2 H 1 3.918 0.009 . 2 . . . . 32 G QA . 16187 1 225 . 1 1 32 32 GLY HA3 H 1 3.918 0.009 . 2 . . . . 32 G QA . 16187 1 stop_ save_