data_30311 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30311 _Entry.Title ; Solution structure of phage displayed derived peptide inhibitor of frizzled 7 receptor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-06-22 _Entry.Accession_date 2017-06-22 _Entry.Last_release_date 2017-07-10 _Entry.Original_release_date 2017-07-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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 Y. Fu Y. . . . 30311 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'peptide inhibitor' . 30311 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30311 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 178 30311 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 . . 2018-10-02 2017-06-22 update BMRB 'update entry citation' 30311 1 . . 2018-04-11 2017-06-22 original author 'original release' 30311 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5W96 'BMRB Entry Tracking System' 30311 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30311 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29632413 _Citation.Full_citation . _Citation.Title ; A selective peptide inhibitor of Frizzled 7 receptors disrupts intestinal stem cells ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Chem. Biol.' _Citation.Journal_name_full 'Nature chemical biology' _Citation.Journal_volume 14 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1552-4469 _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 582 _Citation.Page_last 590 _Citation.Year 2018 _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 Aaron Nile A. H. . . 30311 1 2 Felipe 'de Sousa E Melo' F. . . . 30311 1 3 Susmith Mukund S. . . . 30311 1 4 Robert Piskol R. . . . 30311 1 5 Simon Hansen S. . . . 30311 1 6 Lijuan Zhou L. . . . 30311 1 7 Yingnan Zhang Y. . . . 30311 1 8 Yue Fu Y. . . . 30311 1 9 Emily Gogol E. B. . . 30311 1 10 Laszlo Komuves L. G. . . 30311 1 11 Zora Modrusan Z. . . . 30311 1 12 Stephane Angers S. . . . 30311 1 13 Yvonne Franke Y. . . . 30311 1 14 Christopher Koth C. . . . 30311 1 15 Wayne Fairbrother W. J. . . 30311 1 16 Weiru Wang W. . . . 30311 1 17 Frederic 'de Sauvage' F. J. . . 30311 1 18 Rami Hannoush R. N. . . 30311 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30311 _Assembly.ID 1 _Assembly.Name 'Frizzled 7 binding peptide' _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 'not present' _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, chain A' 1 $entity_1 A A yes . . . . . . 30311 1 2 'entity_1, chain B' 1 $entity_1 B B yes . . . . . . 30311 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30311 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Fz7 binding peptide' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; LPSDDLEFWCHVMY ; _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 14 _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 1755.986 _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 Fz7 na 30311 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 LEU . 30311 1 2 2 PRO . 30311 1 3 3 SER . 30311 1 4 4 ASP . 30311 1 5 5 ASP . 30311 1 6 6 LEU . 30311 1 7 7 GLU . 30311 1 8 8 PHE . 30311 1 9 9 TRP . 30311 1 10 10 CYS . 30311 1 11 11 HIS . 30311 1 12 12 VAL . 30311 1 13 13 MET . 30311 1 14 14 TYR . 30311 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 . LEU 1 1 30311 1 . PRO 2 2 30311 1 . SER 3 3 30311 1 . ASP 4 4 30311 1 . ASP 5 5 30311 1 . LEU 6 6 30311 1 . GLU 7 7 30311 1 . PHE 8 8 30311 1 . TRP 9 9 30311 1 . CYS 10 10 30311 1 . HIS 11 11 30311 1 . VAL 12 12 30311 1 . MET 13 13 30311 1 . TYR 14 14 30311 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 30311 _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 . 32644 'no natural source' . unidentified . . . . . . . . . . . . . . . . . . . . 30311 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 30311 _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' . . . . . . . . . . . . . . . . 30311 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30311 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM Fz binding peptide, 10 mM sodium phosphate, 10 % acentonitrile, 90%H2O 10%acetonitrile' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90%H2O 10%acetonitrile' _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 'Fz binding peptide' 'natural abundance' . . 1 $entity_1 . . 1 . . mM . . . . 30311 1 2 acentonitrile 'natural abundance' . . . . . . 10 . . % . . . . 30311 1 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 30311 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 30311 _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' 10 . mM 30311 1 pH 7.3 . pH 30311 1 pressure 1 . atm 30311 1 temperature 298 . K 30311 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30311 _Software.ID 1 _Software.Type . _Software.Name Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 30311 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30311 1 'data analysis' 30311 1 'peak picking' 30311 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30311 _Software.ID 2 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 30311 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30311 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30311 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30311 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30311 3 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 30311 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'ultrashield plus' _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 30311 _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 'ultrashield plus' . 600 . . . 30311 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 30311 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30311 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30311 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 30311 _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 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30311 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 30311 _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 1H-1H NOESY' . . . 30311 1 2 '2D 1H-1H TOCSY' . . . 30311 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.Ambiguity_set_ID _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 LEU HA H 1 4.517 0.004 . . . . . . A 1 LEU HA . 30311 1 2 . 1 1 1 1 LEU HB2 H 1 1.506 0.001 . . . . . . A 1 LEU HB2 . 30311 1 3 . 1 1 1 1 LEU HB3 H 1 1.413 0.003 . . . . . . A 1 LEU HB3 . 30311 1 4 . 1 1 1 1 LEU HG H 1 1.615 0.002 . . . . . . A 1 LEU HG . 30311 1 5 . 1 1 1 1 LEU HD11 H 1 0.846 0.002 . . . . . . A 1 LEU HD11 . 30311 1 6 . 1 1 1 1 LEU HD12 H 1 0.846 0.002 . . . . . . A 1 LEU HD12 . 30311 1 7 . 1 1 1 1 LEU HD13 H 1 0.846 0.002 . . . . . . A 1 LEU HD13 . 30311 1 8 . 1 1 2 2 PRO HA H 1 4.306 0.003 . . . . . . A 2 PRO HA . 30311 1 9 . 1 1 2 2 PRO HB2 H 1 2.104 0.003 . . . . . . A 2 PRO HB2 . 30311 1 10 . 1 1 2 2 PRO HG2 H 1 1.823 0.004 . . . . . . A 2 PRO HG2 . 30311 1 11 . 1 1 2 2 PRO HG3 H 1 1.763 0.005 . . . . . . A 2 PRO HG3 . 30311 1 12 . 1 1 2 2 PRO HD2 H 1 3.645 0.003 . . . . . . A 2 PRO HD2 . 30311 1 13 . 1 1 2 2 PRO HD3 H 1 3.417 0.003 . . . . . . A 2 PRO HD3 . 30311 1 14 . 1 1 3 3 SER H H 1 7.857 0.001 . . . . . . A 3 SER H . 30311 1 15 . 1 1 3 3 SER HA H 1 4.310 0.003 . . . . . . A 3 SER HA . 30311 1 16 . 1 1 3 3 SER HB2 H 1 3.709 0.003 . . . . . . A 3 SER HB2 . 30311 1 17 . 1 1 3 3 SER HB3 H 1 3.922 0.002 . . . . . . A 3 SER HB3 . 30311 1 18 . 1 1 4 4 ASP H H 1 8.229 0.003 . . . . . . A 4 ASP H . 30311 1 19 . 1 1 4 4 ASP HA H 1 4.584 0.002 . . . . . . A 4 ASP HA . 30311 1 20 . 1 1 4 4 ASP HB3 H 1 2.696 0.002 . . . . . . A 4 ASP HB3 . 30311 1 21 . 1 1 5 5 ASP H H 1 8.216 0.001 . . . . . . A 5 ASP H . 30311 1 22 . 1 1 5 5 ASP HA H 1 3.174 0.004 . . . . . . A 5 ASP HA . 30311 1 23 . 1 1 5 5 ASP HB2 H 1 1.812 0.001 . . . . . . A 5 ASP HB2 . 30311 1 24 . 1 1 5 5 ASP HB3 H 1 1.921 0.002 . . . . . . A 5 ASP HB3 . 30311 1 25 . 1 1 6 6 LEU H H 1 8.222 0.002 . . . . . . A 6 LEU H . 30311 1 26 . 1 1 6 6 LEU HA H 1 4.318 0.003 . . . . . . A 6 LEU HA . 30311 1 27 . 1 1 6 6 LEU HB2 H 1 1.912 0.004 . . . . . . A 6 LEU HB2 . 30311 1 28 . 1 1 6 6 LEU HB3 H 1 1.909 0.001 . . . . . . A 6 LEU HB3 . 30311 1 29 . 1 1 6 6 LEU HG H 1 1.835 0.004 . . . . . . A 6 LEU HG . 30311 1 30 . 1 1 6 6 LEU HD11 H 1 0.822 0.002 . . . . . . A 6 LEU HD11 . 30311 1 31 . 1 1 6 6 LEU HD12 H 1 0.822 0.002 . . . . . . A 6 LEU HD12 . 30311 1 32 . 1 1 6 6 LEU HD13 H 1 0.822 0.002 . . . . . . A 6 LEU HD13 . 30311 1 33 . 1 1 6 6 LEU HD21 H 1 0.886 0.003 . . . . . . A 6 LEU HD21 . 30311 1 34 . 1 1 6 6 LEU HD22 H 1 0.886 0.003 . . . . . . A 6 LEU HD22 . 30311 1 35 . 1 1 6 6 LEU HD23 H 1 0.886 0.003 . . . . . . A 6 LEU HD23 . 30311 1 36 . 1 1 7 7 GLU H H 1 8.084 0.001 . . . . . . A 7 GLU H . 30311 1 37 . 1 1 7 7 GLU HA H 1 4.705 0.004 . . . . . . A 7 GLU HA . 30311 1 38 . 1 1 7 7 GLU HB3 H 1 2.655 0.003 . . . . . . A 7 GLU HB3 . 30311 1 39 . 1 1 7 7 GLU HG2 H 1 2.864 0.003 . . . . . . A 7 GLU HG2 . 30311 1 40 . 1 1 8 8 PHE H H 1 7.782 0.002 . . . . . . A 8 PHE H . 30311 1 41 . 1 1 8 8 PHE HA H 1 4.188 0.004 . . . . . . A 8 PHE HA . 30311 1 42 . 1 1 8 8 PHE HB2 H 1 3.135 0.004 . . . . . . A 8 PHE HB2 . 30311 1 43 . 1 1 8 8 PHE HB3 H 1 3.014 0.004 . . . . . . A 8 PHE HB3 . 30311 1 44 . 1 1 8 8 PHE HD1 H 1 6.919 0.002 . . . . . . A 8 PHE HD1 . 30311 1 45 . 1 1 8 8 PHE HD2 H 1 6.919 0.002 . . . . . . A 8 PHE HD2 . 30311 1 46 . 1 1 8 8 PHE HE1 H 1 7.009 0.002 . . . . . . A 8 PHE HE1 . 30311 1 47 . 1 1 8 8 PHE HE2 H 1 7.009 0.002 . . . . . . A 8 PHE HE2 . 30311 1 48 . 1 1 8 8 PHE HZ H 1 7.126 0.002 . . . . . . A 8 PHE HZ . 30311 1 49 . 1 1 9 9 TRP H H 1 8.238 0.002 . . . . . . A 9 TRP H . 30311 1 50 . 1 1 9 9 TRP HA H 1 4.048 0.002 . . . . . . A 9 TRP HA . 30311 1 51 . 1 1 9 9 TRP HB2 H 1 3.339 0.003 . . . . . . A 9 TRP HB2 . 30311 1 52 . 1 1 9 9 TRP HB3 H 1 3.452 0.004 . . . . . . A 9 TRP HB3 . 30311 1 53 . 1 1 9 9 TRP HD1 H 1 7.281 0.002 . . . . . . A 9 TRP HD1 . 30311 1 54 . 1 1 9 9 TRP HE1 H 1 10.218 0.003 . . . . . . A 9 TRP HE1 . 30311 1 55 . 1 1 9 9 TRP HE3 H 1 7.595 0.002 . . . . . . A 9 TRP HE3 . 30311 1 56 . 1 1 9 9 TRP HZ2 H 1 7.486 0.002 . . . . . . A 9 TRP HZ2 . 30311 1 57 . 1 1 9 9 TRP HZ3 H 1 7.294 0.004 . . . . . . A 9 TRP HZ3 . 30311 1 58 . 1 1 9 9 TRP HH2 H 1 7.185 0.003 . . . . . . A 9 TRP HH2 . 30311 1 59 . 1 1 10 10 CYS H H 1 9.096 0.003 . . . . . . A 10 CYS H . 30311 1 60 . 1 1 10 10 CYS HA H 1 4.450 0.003 . . . . . . A 10 CYS HA . 30311 1 61 . 1 1 10 10 CYS HB2 H 1 3.151 0.002 . . . . . . A 10 CYS HB2 . 30311 1 62 . 1 1 10 10 CYS HB3 H 1 2.956 0.002 . . . . . . A 10 CYS HB3 . 30311 1 63 . 1 1 11 11 HIS H H 1 7.810 0.002 . . . . . . A 11 HIS H . 30311 1 64 . 1 1 11 11 HIS HA H 1 4.221 0.002 . . . . . . A 11 HIS HA . 30311 1 65 . 1 1 11 11 HIS HB2 H 1 3.133 0.003 . . . . . . A 11 HIS HB2 . 30311 1 66 . 1 1 11 11 HIS HB3 H 1 3.138 0.001 . . . . . . A 11 HIS HB3 . 30311 1 67 . 1 1 12 12 VAL H H 1 7.941 0.005 . . . . . . A 12 VAL H . 30311 1 68 . 1 1 12 12 VAL HA H 1 3.493 0.004 . . . . . . A 12 VAL HA . 30311 1 69 . 1 1 12 12 VAL HB H 1 1.743 0.003 . . . . . . A 12 VAL HB . 30311 1 70 . 1 1 12 12 VAL HG11 H 1 0.487 0.001 . . . . . . A 12 VAL HG11 . 30311 1 71 . 1 1 12 12 VAL HG12 H 1 0.671 0.002 . . . . . . A 12 VAL HG12 . 30311 1 72 . 1 1 12 12 VAL HG13 H 1 0.487 0.001 . . . . . . A 12 VAL HG13 . 30311 1 73 . 1 1 12 12 VAL HG21 H 1 0.487 0.001 . . . . . . A 12 VAL HG21 . 30311 1 74 . 1 1 12 12 VAL HG22 H 1 0.671 0.002 . . . . . . A 12 VAL HG22 . 30311 1 75 . 1 1 12 12 VAL HG23 H 1 0.671 0.002 . . . . . . A 12 VAL HG23 . 30311 1 76 . 1 1 13 13 MET H H 1 7.931 0.002 . . . . . . A 13 MET H . 30311 1 77 . 1 1 13 13 MET HA H 1 3.950 0.004 . . . . . . A 13 MET HA . 30311 1 78 . 1 1 13 13 MET HB2 H 1 0.826 0.004 . . . . . . A 13 MET HB2 . 30311 1 79 . 1 1 13 13 MET HB3 H 1 1.194 0.004 . . . . . . A 13 MET HB3 . 30311 1 80 . 1 1 13 13 MET HG2 H 1 1.499 0.006 . . . . . . A 13 MET HG2 . 30311 1 81 . 1 1 13 13 MET HG3 H 1 1.755 0.001 . . . . . . A 13 MET HG3 . 30311 1 82 . 1 1 14 14 TYR H H 1 7.735 0.002 . . . . . . A 14 TYR H . 30311 1 83 . 1 1 14 14 TYR HA H 1 4.727 0.003 . . . . . . A 14 TYR HA . 30311 1 84 . 1 1 14 14 TYR HB2 H 1 3.312 0.003 . . . . . . A 14 TYR HB2 . 30311 1 85 . 1 1 14 14 TYR HB3 H 1 2.707 0.002 . . . . . . A 14 TYR HB3 . 30311 1 86 . 1 1 14 14 TYR HD1 H 1 7.222 0.002 . . . . . . A 14 TYR HD1 . 30311 1 87 . 1 1 14 14 TYR HD2 H 1 7.222 0.002 . . . . . . A 14 TYR HD2 . 30311 1 88 . 1 1 14 14 TYR HE1 H 1 6.766 0.003 . . . . . . A 14 TYR HE1 . 30311 1 89 . 1 1 14 14 TYR HE2 H 1 6.766 0.003 . . . . . . A 14 TYR HE2 . 30311 1 90 . 2 1 1 1 LEU HA H 1 4.517 0.004 . . . . . . B 51 LEU HA . 30311 1 91 . 2 1 1 1 LEU HB2 H 1 1.506 0.001 . . . . . . B 51 LEU HB2 . 30311 1 92 . 2 1 1 1 LEU HB3 H 1 1.413 0.003 . . . . . . B 51 LEU HB3 . 30311 1 93 . 2 1 1 1 LEU HG H 1 1.615 0.002 . . . . . . B 51 LEU HG . 30311 1 94 . 2 1 1 1 LEU HD11 H 1 0.846 0.002 . . . . . . B 51 LEU HD11 . 30311 1 95 . 2 1 1 1 LEU HD12 H 1 0.846 0.002 . . . . . . B 51 LEU HD12 . 30311 1 96 . 2 1 1 1 LEU HD13 H 1 0.846 0.002 . . . . . . B 51 LEU HD13 . 30311 1 97 . 2 1 2 2 PRO HA H 1 4.306 0.003 . . . . . . B 52 PRO HA . 30311 1 98 . 2 1 2 2 PRO HB2 H 1 2.104 0.003 . . . . . . B 52 PRO HB2 . 30311 1 99 . 2 1 2 2 PRO HG2 H 1 1.823 0.004 . . . . . . B 52 PRO HG2 . 30311 1 100 . 2 1 2 2 PRO HG3 H 1 1.763 0.005 . . . . . . B 52 PRO HG3 . 30311 1 101 . 2 1 2 2 PRO HD2 H 1 3.645 0.003 . . . . . . B 52 PRO HD2 . 30311 1 102 . 2 1 2 2 PRO HD3 H 1 3.417 0.003 . . . . . . B 52 PRO HD3 . 30311 1 103 . 2 1 3 3 SER H H 1 7.857 0.001 . . . . . . B 53 SER H . 30311 1 104 . 2 1 3 3 SER HA H 1 4.310 0.003 . . . . . . B 53 SER HA . 30311 1 105 . 2 1 3 3 SER HB2 H 1 3.709 0.003 . . . . . . B 53 SER HB2 . 30311 1 106 . 2 1 3 3 SER HB3 H 1 3.922 0.002 . . . . . . B 53 SER HB3 . 30311 1 107 . 2 1 4 4 ASP H H 1 8.229 0.003 . . . . . . B 54 ASP H . 30311 1 108 . 2 1 4 4 ASP HA H 1 4.584 0.002 . . . . . . B 54 ASP HA . 30311 1 109 . 2 1 4 4 ASP HB3 H 1 2.696 0.002 . . . . . . B 54 ASP HB3 . 30311 1 110 . 2 1 5 5 ASP H H 1 8.216 0.001 . . . . . . B 55 ASP H . 30311 1 111 . 2 1 5 5 ASP HA H 1 3.174 0.004 . . . . . . B 55 ASP HA . 30311 1 112 . 2 1 5 5 ASP HB2 H 1 1.812 0.001 . . . . . . B 55 ASP HB2 . 30311 1 113 . 2 1 5 5 ASP HB3 H 1 1.921 0.002 . . . . . . B 55 ASP HB3 . 30311 1 114 . 2 1 6 6 LEU H H 1 8.222 0.002 . . . . . . B 56 LEU H . 30311 1 115 . 2 1 6 6 LEU HA H 1 4.318 0.003 . . . . . . B 56 LEU HA . 30311 1 116 . 2 1 6 6 LEU HB2 H 1 1.912 0.004 . . . . . . B 56 LEU HB2 . 30311 1 117 . 2 1 6 6 LEU HB3 H 1 1.909 0.001 . . . . . . B 56 LEU HB3 . 30311 1 118 . 2 1 6 6 LEU HG H 1 1.835 0.004 . . . . . . B 56 LEU HG . 30311 1 119 . 2 1 6 6 LEU HD11 H 1 0.822 0.002 . . . . . . B 56 LEU HD11 . 30311 1 120 . 2 1 6 6 LEU HD12 H 1 0.822 0.002 . . . . . . B 56 LEU HD12 . 30311 1 121 . 2 1 6 6 LEU HD13 H 1 0.822 0.002 . . . . . . B 56 LEU HD13 . 30311 1 122 . 2 1 6 6 LEU HD21 H 1 0.886 0.003 . . . . . . B 56 LEU HD21 . 30311 1 123 . 2 1 6 6 LEU HD22 H 1 0.886 0.003 . . . . . . B 56 LEU HD22 . 30311 1 124 . 2 1 6 6 LEU HD23 H 1 0.886 0.003 . . . . . . B 56 LEU HD23 . 30311 1 125 . 2 1 7 7 GLU H H 1 8.084 0.001 . . . . . . B 57 GLU H . 30311 1 126 . 2 1 7 7 GLU HA H 1 4.705 0.004 . . . . . . B 57 GLU HA . 30311 1 127 . 2 1 7 7 GLU HB3 H 1 2.655 0.003 . . . . . . B 57 GLU HB3 . 30311 1 128 . 2 1 7 7 GLU HG2 H 1 2.864 0.003 . . . . . . B 57 GLU HG2 . 30311 1 129 . 2 1 8 8 PHE H H 1 7.782 0.002 . . . . . . B 58 PHE H . 30311 1 130 . 2 1 8 8 PHE HA H 1 4.188 0.004 . . . . . . B 58 PHE HA . 30311 1 131 . 2 1 8 8 PHE HB2 H 1 3.135 0.004 . . . . . . B 58 PHE HB2 . 30311 1 132 . 2 1 8 8 PHE HB3 H 1 3.014 0.004 . . . . . . B 58 PHE HB3 . 30311 1 133 . 2 1 8 8 PHE HD1 H 1 6.919 0.002 . . . . . . B 58 PHE HD1 . 30311 1 134 . 2 1 8 8 PHE HD2 H 1 6.919 0.002 . . . . . . B 58 PHE HD2 . 30311 1 135 . 2 1 8 8 PHE HE1 H 1 7.009 0.002 . . . . . . B 58 PHE HE1 . 30311 1 136 . 2 1 8 8 PHE HE2 H 1 7.009 0.002 . . . . . . B 58 PHE HE2 . 30311 1 137 . 2 1 8 8 PHE HZ H 1 7.126 0.002 . . . . . . B 58 PHE HZ . 30311 1 138 . 2 1 9 9 TRP H H 1 8.238 0.002 . . . . . . B 59 TRP H . 30311 1 139 . 2 1 9 9 TRP HA H 1 4.048 0.002 . . . . . . B 59 TRP HA . 30311 1 140 . 2 1 9 9 TRP HB2 H 1 3.339 0.003 . . . . . . B 59 TRP HB2 . 30311 1 141 . 2 1 9 9 TRP HB3 H 1 3.452 0.004 . . . . . . B 59 TRP HB3 . 30311 1 142 . 2 1 9 9 TRP HD1 H 1 7.281 0.002 . . . . . . B 59 TRP HD1 . 30311 1 143 . 2 1 9 9 TRP HE1 H 1 10.218 0.003 . . . . . . B 59 TRP HE1 . 30311 1 144 . 2 1 9 9 TRP HE3 H 1 7.595 0.002 . . . . . . B 59 TRP HE3 . 30311 1 145 . 2 1 9 9 TRP HZ2 H 1 7.486 0.002 . . . . . . B 59 TRP HZ2 . 30311 1 146 . 2 1 9 9 TRP HZ3 H 1 7.294 0.004 . . . . . . B 59 TRP HZ3 . 30311 1 147 . 2 1 9 9 TRP HH2 H 1 7.185 0.003 . . . . . . B 59 TRP HH2 . 30311 1 148 . 2 1 10 10 CYS H H 1 9.096 0.003 . . . . . . B 60 CYS H . 30311 1 149 . 2 1 10 10 CYS HA H 1 4.450 0.003 . . . . . . B 60 CYS HA . 30311 1 150 . 2 1 10 10 CYS HB2 H 1 3.151 0.002 . . . . . . B 60 CYS HB2 . 30311 1 151 . 2 1 10 10 CYS HB3 H 1 2.956 0.002 . . . . . . B 60 CYS HB3 . 30311 1 152 . 2 1 11 11 HIS H H 1 7.810 0.002 . . . . . . B 61 HIS H . 30311 1 153 . 2 1 11 11 HIS HA H 1 4.221 0.002 . . . . . . B 61 HIS HA . 30311 1 154 . 2 1 11 11 HIS HB2 H 1 3.133 0.003 . . . . . . B 61 HIS HB2 . 30311 1 155 . 2 1 11 11 HIS HB3 H 1 3.138 0.001 . . . . . . B 61 HIS HB3 . 30311 1 156 . 2 1 12 12 VAL H H 1 7.941 0.005 . . . . . . B 62 VAL H . 30311 1 157 . 2 1 12 12 VAL HA H 1 3.493 0.004 . . . . . . B 62 VAL HA . 30311 1 158 . 2 1 12 12 VAL HB H 1 1.743 0.003 . . . . . . B 62 VAL HB . 30311 1 159 . 2 1 12 12 VAL HG11 H 1 0.487 0.001 . . . . . . B 62 VAL HG11 . 30311 1 160 . 2 1 12 12 VAL HG12 H 1 0.671 0.002 . . . . . . B 62 VAL HG12 . 30311 1 161 . 2 1 12 12 VAL HG13 H 1 0.487 0.001 . . . . . . B 62 VAL HG13 . 30311 1 162 . 2 1 12 12 VAL HG21 H 1 0.487 0.001 . . . . . . B 62 VAL HG21 . 30311 1 163 . 2 1 12 12 VAL HG22 H 1 0.671 0.002 . . . . . . B 62 VAL HG22 . 30311 1 164 . 2 1 12 12 VAL HG23 H 1 0.671 0.002 . . . . . . B 62 VAL HG23 . 30311 1 165 . 2 1 13 13 MET H H 1 7.931 0.002 . . . . . . B 63 MET H . 30311 1 166 . 2 1 13 13 MET HA H 1 3.950 0.004 . . . . . . B 63 MET HA . 30311 1 167 . 2 1 13 13 MET HB2 H 1 0.826 0.004 . . . . . . B 63 MET HB2 . 30311 1 168 . 2 1 13 13 MET HB3 H 1 1.194 0.004 . . . . . . B 63 MET HB3 . 30311 1 169 . 2 1 13 13 MET HG2 H 1 1.499 0.006 . . . . . . B 63 MET HG2 . 30311 1 170 . 2 1 13 13 MET HG3 H 1 1.755 0.001 . . . . . . B 63 MET HG3 . 30311 1 171 . 2 1 14 14 TYR H H 1 7.735 0.002 . . . . . . B 64 TYR H . 30311 1 172 . 2 1 14 14 TYR HA H 1 4.727 0.003 . . . . . . B 64 TYR HA . 30311 1 173 . 2 1 14 14 TYR HB2 H 1 3.312 0.003 . . . . . . B 64 TYR HB2 . 30311 1 174 . 2 1 14 14 TYR HB3 H 1 2.707 0.002 . . . . . . B 64 TYR HB3 . 30311 1 175 . 2 1 14 14 TYR HD1 H 1 7.222 0.002 . . . . . . B 64 TYR HD1 . 30311 1 176 . 2 1 14 14 TYR HD2 H 1 7.222 0.002 . . . . . . B 64 TYR HD2 . 30311 1 177 . 2 1 14 14 TYR HE1 H 1 6.766 0.003 . . . . . . B 64 TYR HE1 . 30311 1 178 . 2 1 14 14 TYR HE2 H 1 6.766 0.003 . . . . . . B 64 TYR HE2 . 30311 1 stop_ save_