data_25670 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25670 _Entry.Title ; Solution Structure of Enterocin HF, an Antilisterial Bacteriocin Produced by Enterococcus faecium M3K31 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-06-21 _Entry.Accession_date 2015-06-21 _Entry.Last_release_date 2015-11-23 _Entry.Original_release_date 2015-11-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _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.ORCID _Entry_author.Entry_ID 1 Sara Arbulu . . . . 25670 2 Christopher Lohans . T. . . 25670 3 Luis Cintas . M. . . 25670 4 Carmen Herranz . . . . 25670 5 Marco 'van Belkum' . J. . . 25670 6 John Vederas . C. . . 25670 7 Pablo Hernandez . E. . . 25670 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' . 25670 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Gram-positive . 25670 antilisterial . 25670 antimicrobial . 25670 bacteriocin . 25670 peptide . 25670 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25670 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 241 25670 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 . . 2016-08-12 2015-06-21 update BMRB 'update entry citation' 25670 1 . . 2015-11-23 2015-06-21 original author 'original release' 25670 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N4K 'BMRB Entry Tracking System' 25670 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25670 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26585399 _Citation.Full_citation . _Citation.Title ; Solution Structure of Enterocin HF, a Highly Active Antilisterial Bacteriocin Produced by Enterococcus faecium M3K31 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Agric. Food Chem.' _Citation.Journal_name_full 'Journal of Agricultural and Food Chemistry' _Citation.Journal_volume 63 _Citation.Journal_issue 49 _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 10689 _Citation.Page_last 10695 _Citation.Year 2015 _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 Sara Arbulu . . . . 25670 1 2 Christopher Lohans . T. . . 25670 1 3 Luis Cintas . M. . . 25670 1 4 Carmen Herranz . . . . 25670 1 5 Marco 'van Belkum' . J. . . 25670 1 6 John Vederas . C. . . 25670 1 7 Pablo Hernandez . E. . . 25670 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25670 _Assembly.ID 1 _Assembly.Name 'Enterocin HF' _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 . . . 25670 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 9 9 SG . 1 . 1 CYS 14 14 SG . . . . . . . . . . 25670 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25670 _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 ; KYYGNGVSCNKKGCSVDWGK AIGIIGNNAAANLTTGGKAG WKG ; _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 43 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4336.942 _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 LYS . 25670 1 2 2 TYR . 25670 1 3 3 TYR . 25670 1 4 4 GLY . 25670 1 5 5 ASN . 25670 1 6 6 GLY . 25670 1 7 7 VAL . 25670 1 8 8 SER . 25670 1 9 9 CYS . 25670 1 10 10 ASN . 25670 1 11 11 LYS . 25670 1 12 12 LYS . 25670 1 13 13 GLY . 25670 1 14 14 CYS . 25670 1 15 15 SER . 25670 1 16 16 VAL . 25670 1 17 17 ASP . 25670 1 18 18 TRP . 25670 1 19 19 GLY . 25670 1 20 20 LYS . 25670 1 21 21 ALA . 25670 1 22 22 ILE . 25670 1 23 23 GLY . 25670 1 24 24 ILE . 25670 1 25 25 ILE . 25670 1 26 26 GLY . 25670 1 27 27 ASN . 25670 1 28 28 ASN . 25670 1 29 29 ALA . 25670 1 30 30 ALA . 25670 1 31 31 ALA . 25670 1 32 32 ASN . 25670 1 33 33 LEU . 25670 1 34 34 THR . 25670 1 35 35 THR . 25670 1 36 36 GLY . 25670 1 37 37 GLY . 25670 1 38 38 LYS . 25670 1 39 39 ALA . 25670 1 40 40 GLY . 25670 1 41 41 TRP . 25670 1 42 42 LYS . 25670 1 43 43 GLY . 25670 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 . LYS 1 1 25670 1 . TYR 2 2 25670 1 . TYR 3 3 25670 1 . GLY 4 4 25670 1 . ASN 5 5 25670 1 . GLY 6 6 25670 1 . VAL 7 7 25670 1 . SER 8 8 25670 1 . CYS 9 9 25670 1 . ASN 10 10 25670 1 . LYS 11 11 25670 1 . LYS 12 12 25670 1 . GLY 13 13 25670 1 . CYS 14 14 25670 1 . SER 15 15 25670 1 . VAL 16 16 25670 1 . ASP 17 17 25670 1 . TRP 18 18 25670 1 . GLY 19 19 25670 1 . LYS 20 20 25670 1 . ALA 21 21 25670 1 . ILE 22 22 25670 1 . GLY 23 23 25670 1 . ILE 24 24 25670 1 . ILE 25 25 25670 1 . GLY 26 26 25670 1 . ASN 27 27 25670 1 . ASN 28 28 25670 1 . ALA 29 29 25670 1 . ALA 30 30 25670 1 . ALA 31 31 25670 1 . ASN 32 32 25670 1 . LEU 33 33 25670 1 . THR 34 34 25670 1 . THR 35 35 25670 1 . GLY 36 36 25670 1 . GLY 37 37 25670 1 . LYS 38 38 25670 1 . ALA 39 39 25670 1 . GLY 40 40 25670 1 . TRP 41 41 25670 1 . LYS 42 42 25670 1 . GLY 43 43 25670 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 25670 _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 . 1352 organism . 'Enterococcus faecium' firmicutes . . Bacteria . Enterococcus faecium M3K31 . . . . . . . . . . . . 25670 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 25670 _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 . 'purified from the natural source' 'Enterococcus faecium' . . . Enterococcus faecium M3K31 . . . . . 'Not applicable' . . . 25670 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25670 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '50% d2-trifluoroethanol : 50% water' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity 'natural abundance' . . 1 $entity . . 0.76 . . mM . . . . 25670 1 2 TFE d2-TFE . . . . . . 50 . . % . . . . 25670 1 3 DSS 'natural abundance' . . . . . . 0.01 . . % . . . . 25670 1 4 H2O 'natural abundance' . . . . . . 50 . . % . . . . 25670 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 25670 _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 pressure 1 . atm 25670 1 temperature 273 . K 25670 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25670 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25670 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25670 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25670 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25670 _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 Varian VNMRS . 700 . . . 25670 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 25670 _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 TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25670 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25670 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 25670 _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 0.00 internal direct 1.000000000 . . . . . 25670 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 25670 _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 TOCSY' . . . 25670 1 2 '2D 1H-1H NOESY' . . . 25670 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 LYS HA H 1 3.9610 0.02 . 1 . . . A 1 LYS HA . 25670 1 2 . 1 1 1 1 LYS HB2 H 1 1.8560 0.02 . 1 . . . A 1 LYS HB2 . 25670 1 3 . 1 1 1 1 LYS HB3 H 1 1.8100 0.02 . 1 . . . A 1 LYS HB3 . 25670 1 4 . 1 1 1 1 LYS HG2 H 1 1.3030 0.02 . 1 . . . A 1 LYS HG2 . 25670 1 5 . 1 1 1 1 LYS HG3 H 1 1.2250 0.02 . 1 . . . A 1 LYS HG3 . 25670 1 6 . 1 1 1 1 LYS HD3 H 1 1.6790 0.02 . 1 . . . A 1 LYS HD3 . 25670 1 7 . 1 1 1 1 LYS HE2 H 1 2.9340 0.02 . 1 . . . A 1 LYS HE2 . 25670 1 8 . 1 1 2 2 TYR H H 1 8.5940 0.02 . 1 . . . A 2 TYR H . 25670 1 9 . 1 1 2 2 TYR HB2 H 1 3.0210 0.02 . 1 . . . A 2 TYR HB2 . 25670 1 10 . 1 1 2 2 TYR HB3 H 1 2.9440 0.02 . 1 . . . A 2 TYR HB3 . 25670 1 11 . 1 1 2 2 TYR HD1 H 1 7.1610 0.02 . 1 . . . A 2 TYR HD1 . 25670 1 12 . 1 1 2 2 TYR HD2 H 1 7.1600 0.02 . 1 . . . A 2 TYR HD2 . 25670 1 13 . 1 1 2 2 TYR HE1 H 1 6.8160 0.02 . 1 . . . A 2 TYR HE1 . 25670 1 14 . 1 1 2 2 TYR HE2 H 1 6.8170 0.02 . 1 . . . A 2 TYR HE2 . 25670 1 15 . 1 1 3 3 TYR H H 1 8.2840 0.02 . 1 . . . A 3 TYR H . 25670 1 16 . 1 1 3 3 TYR HA H 1 4.5330 0.02 . 1 . . . A 3 TYR HA . 25670 1 17 . 1 1 3 3 TYR HB2 H 1 3.0970 0.02 . 1 . . . A 3 TYR HB2 . 25670 1 18 . 1 1 3 3 TYR HB3 H 1 2.7540 0.02 . 1 . . . A 3 TYR HB3 . 25670 1 19 . 1 1 3 3 TYR HD1 H 1 7.1120 0.02 . 1 . . . A 3 TYR HD1 . 25670 1 20 . 1 1 3 3 TYR HD2 H 1 7.1080 0.02 . 1 . . . A 3 TYR HD2 . 25670 1 21 . 1 1 3 3 TYR HE1 H 1 6.7990 0.02 . 1 . . . A 3 TYR HE1 . 25670 1 22 . 1 1 3 3 TYR HE2 H 1 6.8020 0.02 . 1 . . . A 3 TYR HE2 . 25670 1 23 . 1 1 4 4 GLY H H 1 6.9580 0.02 . 1 . . . A 4 GLY H . 25670 1 24 . 1 1 4 4 GLY HA2 H 1 4.0350 0.02 . 1 . . . A 4 GLY HA2 . 25670 1 25 . 1 1 4 4 GLY HA3 H 1 3.7480 0.02 . 1 . . . A 4 GLY HA3 . 25670 1 26 . 1 1 5 5 ASN H H 1 8.3480 0.02 . 1 . . . A 5 ASN H . 25670 1 27 . 1 1 5 5 ASN HA H 1 4.6970 0.02 . 1 . . . A 5 ASN HA . 25670 1 28 . 1 1 5 5 ASN HB2 H 1 2.8740 0.02 . 1 . . . A 5 ASN HB2 . 25670 1 29 . 1 1 5 5 ASN HB3 H 1 2.8740 0.02 . 1 . . . A 5 ASN HB3 . 25670 1 30 . 1 1 5 5 ASN HD21 H 1 7.4360 0.02 . 1 . . . A 5 ASN HD21 . 25670 1 31 . 1 1 5 5 ASN HD22 H 1 6.7360 0.02 . 1 . . . A 5 ASN HD22 . 25670 1 32 . 1 1 6 6 GLY H H 1 8.3580 0.02 . 1 . . . A 6 GLY H . 25670 1 33 . 1 1 6 6 GLY HA2 H 1 4.0400 0.02 . 1 . . . A 6 GLY HA2 . 25670 1 34 . 1 1 6 6 GLY HA3 H 1 3.8430 0.02 . 1 . . . A 6 GLY HA3 . 25670 1 35 . 1 1 7 7 VAL H H 1 7.7680 0.02 . 1 . . . A 7 VAL H . 25670 1 36 . 1 1 7 7 VAL HA H 1 4.4250 0.02 . 1 . . . A 7 VAL HA . 25670 1 37 . 1 1 7 7 VAL HB H 1 2.0640 0.02 . 1 . . . A 7 VAL HB . 25670 1 38 . 1 1 7 7 VAL HG11 H 1 0.8910 0.02 . 1 . . . A 7 VAL HG11 . 25670 1 39 . 1 1 7 7 VAL HG12 H 1 0.8910 0.02 . 1 . . . A 7 VAL HG12 . 25670 1 40 . 1 1 7 7 VAL HG13 H 1 0.8910 0.02 . 1 . . . A 7 VAL HG13 . 25670 1 41 . 1 1 7 7 VAL HG21 H 1 0.8910 0.02 . 1 . . . A 7 VAL HG21 . 25670 1 42 . 1 1 7 7 VAL HG22 H 1 0.8910 0.02 . 1 . . . A 7 VAL HG22 . 25670 1 43 . 1 1 7 7 VAL HG23 H 1 0.8910 0.02 . 1 . . . A 7 VAL HG23 . 25670 1 44 . 1 1 8 8 SER H H 1 8.5480 0.02 . 1 . . . A 8 SER H . 25670 1 45 . 1 1 8 8 SER HA H 1 4.9290 0.02 . 1 . . . A 8 SER HA . 25670 1 46 . 1 1 8 8 SER HB2 H 1 3.8330 0.02 . 1 . . . A 8 SER HB2 . 25670 1 47 . 1 1 8 8 SER HB3 H 1 3.8330 0.02 . 1 . . . A 8 SER HB3 . 25670 1 48 . 1 1 9 9 CYS H H 1 8.6000 0.02 . 1 . . . A 9 CYS H . 25670 1 49 . 1 1 9 9 CYS HA H 1 5.4070 0.02 . 1 . . . A 9 CYS HA . 25670 1 50 . 1 1 9 9 CYS HB2 H 1 3.0640 0.02 . 1 . . . A 9 CYS HB2 . 25670 1 51 . 1 1 9 9 CYS HB3 H 1 3.0640 0.02 . 1 . . . A 9 CYS HB3 . 25670 1 52 . 1 1 10 10 ASN H H 1 8.8970 0.02 . 1 . . . A 10 ASN H . 25670 1 53 . 1 1 10 10 ASN HA H 1 4.8250 0.02 . 1 . . . A 10 ASN HA . 25670 1 54 . 1 1 10 10 ASN HB2 H 1 3.2850 0.02 . 1 . . . A 10 ASN HB2 . 25670 1 55 . 1 1 10 10 ASN HB3 H 1 2.9820 0.02 . 1 . . . A 10 ASN HB3 . 25670 1 56 . 1 1 10 10 ASN HD21 H 1 7.5460 0.02 . 1 . . . A 10 ASN HD21 . 25670 1 57 . 1 1 10 10 ASN HD22 H 1 6.6450 0.02 . 1 . . . A 10 ASN HD22 . 25670 1 58 . 1 1 11 11 LYS H H 1 8.1720 0.02 . 1 . . . A 11 LYS H . 25670 1 59 . 1 1 11 11 LYS HA H 1 4.2100 0.02 . 1 . . . A 11 LYS HA . 25670 1 60 . 1 1 11 11 LYS HB2 H 1 1.9100 0.02 . 1 . . . A 11 LYS HB2 . 25670 1 61 . 1 1 11 11 LYS HB3 H 1 1.8490 0.02 . 1 . . . A 11 LYS HB3 . 25670 1 62 . 1 1 11 11 LYS HG2 H 1 1.5470 0.02 . 1 . . . A 11 LYS HG2 . 25670 1 63 . 1 1 11 11 LYS HD2 H 1 1.7630 0.02 . 1 . . . A 11 LYS HD2 . 25670 1 64 . 1 1 11 11 LYS HE2 H 1 3.0500 0.02 . 1 . . . A 11 LYS HE2 . 25670 1 65 . 1 1 12 12 LYS H H 1 8.2620 0.02 . 1 . . . A 12 LYS H . 25670 1 66 . 1 1 12 12 LYS HA H 1 4.3440 0.02 . 1 . . . A 12 LYS HA . 25670 1 67 . 1 1 12 12 LYS HB2 H 1 1.9730 0.02 . 1 . . . A 12 LYS HB2 . 25670 1 68 . 1 1 12 12 LYS HB3 H 1 1.8510 0.02 . 1 . . . A 12 LYS HB3 . 25670 1 69 . 1 1 12 12 LYS HG2 H 1 1.4980 0.02 . 1 . . . A 12 LYS HG2 . 25670 1 70 . 1 1 12 12 LYS HD2 H 1 1.7240 0.02 . 1 . . . A 12 LYS HD2 . 25670 1 71 . 1 1 12 12 LYS HE2 H 1 3.0130 0.02 . 1 . . . A 12 LYS HE2 . 25670 1 72 . 1 1 13 13 GLY H H 1 7.9600 0.02 . 1 . . . A 13 GLY H . 25670 1 73 . 1 1 13 13 GLY HA2 H 1 4.4430 0.02 . 1 . . . A 13 GLY HA2 . 25670 1 74 . 1 1 13 13 GLY HA3 H 1 3.9300 0.02 . 1 . . . A 13 GLY HA3 . 25670 1 75 . 1 1 14 14 CYS H H 1 8.2960 0.02 . 1 . . . A 14 CYS H . 25670 1 76 . 1 1 14 14 CYS HA H 1 5.4490 0.02 . 1 . . . A 14 CYS HA . 25670 1 77 . 1 1 14 14 CYS HB2 H 1 3.0120 0.02 . 1 . . . A 14 CYS HB2 . 25670 1 78 . 1 1 14 14 CYS HB3 H 1 2.9440 0.02 . 1 . . . A 14 CYS HB3 . 25670 1 79 . 1 1 15 15 SER H H 1 8.8530 0.02 . 1 . . . A 15 SER H . 25670 1 80 . 1 1 15 15 SER HA H 1 4.6280 0.02 . 1 . . . A 15 SER HA . 25670 1 81 . 1 1 15 15 SER HB2 H 1 3.8750 0.02 . 1 . . . A 15 SER HB2 . 25670 1 82 . 1 1 15 15 SER HB3 H 1 3.8140 0.02 . 1 . . . A 15 SER HB3 . 25670 1 83 . 1 1 16 16 VAL H H 1 7.9870 0.02 . 1 . . . A 16 VAL H . 25670 1 84 . 1 1 16 16 VAL HA H 1 4.2400 0.02 . 1 . . . A 16 VAL HA . 25670 1 85 . 1 1 16 16 VAL HB H 1 1.6410 0.02 . 1 . . . A 16 VAL HB . 25670 1 86 . 1 1 16 16 VAL HG11 H 1 0.7560 0.02 . 1 . . . A 16 VAL HG11 . 25670 1 87 . 1 1 16 16 VAL HG12 H 1 0.7560 0.02 . 1 . . . A 16 VAL HG12 . 25670 1 88 . 1 1 16 16 VAL HG13 H 1 0.7560 0.02 . 1 . . . A 16 VAL HG13 . 25670 1 89 . 1 1 16 16 VAL HG21 H 1 0.4430 0.02 . 1 . . . A 16 VAL HG21 . 25670 1 90 . 1 1 16 16 VAL HG22 H 1 0.4430 0.02 . 1 . . . A 16 VAL HG22 . 25670 1 91 . 1 1 16 16 VAL HG23 H 1 0.4430 0.02 . 1 . . . A 16 VAL HG23 . 25670 1 92 . 1 1 17 17 ASP H H 1 8.3970 0.02 . 1 . . . A 17 ASP H . 25670 1 93 . 1 1 17 17 ASP HB2 H 1 2.9230 0.02 . 1 . . . A 17 ASP HB2 . 25670 1 94 . 1 1 17 17 ASP HB3 H 1 2.6830 0.02 . 1 . . . A 17 ASP HB3 . 25670 1 95 . 1 1 18 18 TRP H H 1 8.0130 0.02 . 1 . . . A 18 TRP H . 25670 1 96 . 1 1 18 18 TRP HA H 1 4.4880 0.02 . 1 . . . A 18 TRP HA . 25670 1 97 . 1 1 18 18 TRP HB2 H 1 3.3850 0.02 . 1 . . . A 18 TRP HB2 . 25670 1 98 . 1 1 18 18 TRP HB3 H 1 3.2480 0.02 . 1 . . . A 18 TRP HB3 . 25670 1 99 . 1 1 18 18 TRP HD1 H 1 7.2980 0.02 . 1 . . . A 18 TRP HD1 . 25670 1 100 . 1 1 18 18 TRP HE1 H 1 9.8580 0.02 . 1 . . . A 18 TRP HE1 . 25670 1 101 . 1 1 18 18 TRP HE3 H 1 7.5460 0.02 . 1 . . . A 18 TRP HE3 . 25670 1 102 . 1 1 18 18 TRP HZ2 H 1 7.4470 0.02 . 1 . . . A 18 TRP HZ2 . 25670 1 103 . 1 1 18 18 TRP HZ3 H 1 7.0780 0.02 . 1 . . . A 18 TRP HZ3 . 25670 1 104 . 1 1 18 18 TRP HH2 H 1 7.1870 0.02 . 1 . . . A 18 TRP HH2 . 25670 1 105 . 1 1 19 19 GLY H H 1 8.3250 0.02 . 1 . . . A 19 GLY H . 25670 1 106 . 1 1 19 19 GLY HA2 H 1 3.9010 0.02 . 1 . . . A 19 GLY HA2 . 25670 1 107 . 1 1 19 19 GLY HA3 H 1 3.8110 0.02 . 1 . . . A 19 GLY HA3 . 25670 1 108 . 1 1 20 20 LYS H H 1 7.7000 0.02 . 1 . . . A 20 LYS H . 25670 1 109 . 1 1 20 20 LYS HA H 1 4.2630 0.02 . 1 . . . A 20 LYS HA . 25670 1 110 . 1 1 20 20 LYS HB2 H 1 1.8290 0.02 . 1 . . . A 20 LYS HB2 . 25670 1 111 . 1 1 20 20 LYS HB3 H 1 1.8850 0.02 . 1 . . . A 20 LYS HB3 . 25670 1 112 . 1 1 20 20 LYS HG2 H 1 1.5150 0.02 . 1 . . . A 20 LYS HG2 . 25670 1 113 . 1 1 20 20 LYS HG3 H 1 1.4220 0.02 . 1 . . . A 20 LYS HG3 . 25670 1 114 . 1 1 20 20 LYS HD2 H 1 1.7050 0.02 . 1 . . . A 20 LYS HD2 . 25670 1 115 . 1 1 20 20 LYS HE2 H 1 2.9900 0.02 . 1 . . . A 20 LYS HE2 . 25670 1 116 . 1 1 21 21 ALA H H 1 7.9920 0.02 . 1 . . . A 21 ALA H . 25670 1 117 . 1 1 21 21 ALA HA H 1 4.2100 0.02 . 1 . . . A 21 ALA HA . 25670 1 118 . 1 1 21 21 ALA HB1 H 1 1.4640 0.02 . 1 . . . A 21 ALA HB1 . 25670 1 119 . 1 1 21 21 ALA HB2 H 1 1.4640 0.02 . 1 . . . A 21 ALA HB2 . 25670 1 120 . 1 1 21 21 ALA HB3 H 1 1.4640 0.02 . 1 . . . A 21 ALA HB3 . 25670 1 121 . 1 1 22 22 ILE H H 1 7.9720 0.02 . 1 . . . A 22 ILE H . 25670 1 122 . 1 1 22 22 ILE HA H 1 4.0270 0.02 . 1 . . . A 22 ILE HA . 25670 1 123 . 1 1 22 22 ILE HB H 1 1.9100 0.02 . 1 . . . A 22 ILE HB . 25670 1 124 . 1 1 22 22 ILE HG12 H 1 1.5580 0.02 . 1 . . . A 22 ILE HG12 . 25670 1 125 . 1 1 22 22 ILE HG13 H 1 1.2800 0.02 . 1 . . . A 22 ILE HG13 . 25670 1 126 . 1 1 22 22 ILE HG21 H 1 0.9290 0.02 . 1 . . . A 22 ILE HG21 . 25670 1 127 . 1 1 22 22 ILE HG22 H 1 0.9290 0.02 . 1 . . . A 22 ILE HG22 . 25670 1 128 . 1 1 22 22 ILE HG23 H 1 0.9290 0.02 . 1 . . . A 22 ILE HG23 . 25670 1 129 . 1 1 22 22 ILE HD11 H 1 0.8760 0.02 . 1 . . . A 22 ILE HD11 . 25670 1 130 . 1 1 22 22 ILE HD12 H 1 0.8760 0.02 . 1 . . . A 22 ILE HD12 . 25670 1 131 . 1 1 22 22 ILE HD13 H 1 0.8760 0.02 . 1 . . . A 22 ILE HD13 . 25670 1 132 . 1 1 23 23 GLY H H 1 7.9140 0.02 . 1 . . . A 23 GLY H . 25670 1 133 . 1 1 23 23 GLY HA2 H 1 3.9290 0.02 . 1 . . . A 23 GLY HA2 . 25670 1 134 . 1 1 23 23 GLY HA3 H 1 3.9290 0.02 . 1 . . . A 23 GLY HA3 . 25670 1 135 . 1 1 24 24 ILE H H 1 7.7600 0.02 . 1 . . . A 24 ILE H . 25670 1 136 . 1 1 24 24 ILE HA H 1 4.0650 0.02 . 1 . . . A 24 ILE HA . 25670 1 137 . 1 1 24 24 ILE HB H 1 1.9740 0.02 . 1 . . . A 24 ILE HB . 25670 1 138 . 1 1 24 24 ILE HG12 H 1 1.6320 0.02 . 1 . . . A 24 ILE HG12 . 25670 1 139 . 1 1 24 24 ILE HG13 H 1 1.1900 0.02 . 1 . . . A 24 ILE HG13 . 25670 1 140 . 1 1 24 24 ILE HG21 H 1 0.9360 0.02 . 1 . . . A 24 ILE HG21 . 25670 1 141 . 1 1 24 24 ILE HG22 H 1 0.9360 0.02 . 1 . . . A 24 ILE HG22 . 25670 1 142 . 1 1 24 24 ILE HG23 H 1 0.9360 0.02 . 1 . . . A 24 ILE HG23 . 25670 1 143 . 1 1 24 24 ILE HD11 H 1 0.8740 0.02 . 1 . . . A 24 ILE HD11 . 25670 1 144 . 1 1 24 24 ILE HD12 H 1 0.8740 0.02 . 1 . . . A 24 ILE HD12 . 25670 1 145 . 1 1 24 24 ILE HD13 H 1 0.8740 0.02 . 1 . . . A 24 ILE HD13 . 25670 1 146 . 1 1 25 25 ILE H H 1 8.0630 0.02 . 1 . . . A 25 ILE H . 25670 1 147 . 1 1 25 25 ILE HA H 1 3.9950 0.02 . 1 . . . A 25 ILE HA . 25670 1 148 . 1 1 25 25 ILE HB H 1 1.9180 0.02 . 1 . . . A 25 ILE HB . 25670 1 149 . 1 1 25 25 ILE HG12 H 1 1.6420 0.02 . 1 . . . A 25 ILE HG12 . 25670 1 150 . 1 1 25 25 ILE HG13 H 1 1.2020 0.02 . 1 . . . A 25 ILE HG13 . 25670 1 151 . 1 1 25 25 ILE HG21 H 1 0.9510 0.02 . 1 . . . A 25 ILE HG21 . 25670 1 152 . 1 1 25 25 ILE HG22 H 1 0.9510 0.02 . 1 . . . A 25 ILE HG22 . 25670 1 153 . 1 1 25 25 ILE HG23 H 1 0.9510 0.02 . 1 . . . A 25 ILE HG23 . 25670 1 154 . 1 1 25 25 ILE HD11 H 1 0.8700 0.02 . 1 . . . A 25 ILE HD11 . 25670 1 155 . 1 1 25 25 ILE HD12 H 1 0.8700 0.02 . 1 . . . A 25 ILE HD12 . 25670 1 156 . 1 1 25 25 ILE HD13 H 1 0.8700 0.02 . 1 . . . A 25 ILE HD13 . 25670 1 157 . 1 1 26 26 GLY H H 1 8.3610 0.02 . 1 . . . A 26 GLY H . 25670 1 158 . 1 1 26 26 GLY HA2 H 1 3.9510 0.02 . 1 . . . A 26 GLY HA2 . 25670 1 159 . 1 1 26 26 GLY HA3 H 1 3.9490 0.02 . 1 . . . A 26 GLY HA3 . 25670 1 160 . 1 1 27 27 ASN H H 1 8.0640 0.02 . 1 . . . A 27 ASN H . 25670 1 161 . 1 1 27 27 ASN HA H 1 4.6770 0.02 . 1 . . . A 27 ASN HA . 25670 1 162 . 1 1 27 27 ASN HB2 H 1 2.8610 0.02 . 1 . . . A 27 ASN HB2 . 25670 1 163 . 1 1 27 27 ASN HB3 H 1 2.8610 0.02 . 1 . . . A 27 ASN HB3 . 25670 1 164 . 1 1 27 27 ASN HD21 H 1 7.5100 0.02 . 1 . . . A 27 ASN HD21 . 25670 1 165 . 1 1 27 27 ASN HD22 H 1 6.7410 0.02 . 1 . . . A 27 ASN HD22 . 25670 1 166 . 1 1 28 28 ASN H H 1 8.2890 0.02 . 1 . . . A 28 ASN H . 25670 1 167 . 1 1 28 28 ASN HA H 1 4.6290 0.02 . 1 . . . A 28 ASN HA . 25670 1 168 . 1 1 28 28 ASN HB2 H 1 2.8470 0.02 . 1 . . . A 28 ASN HB2 . 25670 1 169 . 1 1 28 28 ASN HB3 H 1 2.8470 0.02 . 1 . . . A 28 ASN HB3 . 25670 1 170 . 1 1 28 28 ASN HD21 H 1 7.4880 0.02 . 1 . . . A 28 ASN HD21 . 25670 1 171 . 1 1 28 28 ASN HD22 H 1 6.7610 0.02 . 1 . . . A 28 ASN HD22 . 25670 1 172 . 1 1 29 29 ALA H H 1 8.3480 0.02 . 1 . . . A 29 ALA H . 25670 1 173 . 1 1 29 29 ALA HA H 1 4.2150 0.02 . 1 . . . A 29 ALA HA . 25670 1 174 . 1 1 29 29 ALA HB1 H 1 1.5010 0.02 . 1 . . . A 29 ALA HB1 . 25670 1 175 . 1 1 29 29 ALA HB2 H 1 1.5010 0.02 . 1 . . . A 29 ALA HB2 . 25670 1 176 . 1 1 29 29 ALA HB3 H 1 1.5010 0.02 . 1 . . . A 29 ALA HB3 . 25670 1 177 . 1 1 30 30 ALA H H 1 8.0800 0.02 . 1 . . . A 30 ALA H . 25670 1 178 . 1 1 30 30 ALA HA H 1 4.1840 0.02 . 1 . . . A 30 ALA HA . 25670 1 179 . 1 1 30 30 ALA HB1 H 1 1.4870 0.02 . 1 . . . A 30 ALA HB1 . 25670 1 180 . 1 1 30 30 ALA HB2 H 1 1.4870 0.02 . 1 . . . A 30 ALA HB2 . 25670 1 181 . 1 1 30 30 ALA HB3 H 1 1.4870 0.02 . 1 . . . A 30 ALA HB3 . 25670 1 182 . 1 1 31 31 ALA H H 1 7.9670 0.02 . 1 . . . A 31 ALA H . 25670 1 183 . 1 1 31 31 ALA HA H 1 4.1820 0.02 . 1 . . . A 31 ALA HA . 25670 1 184 . 1 1 31 31 ALA HB1 H 1 1.4720 0.02 . 1 . . . A 31 ALA HB1 . 25670 1 185 . 1 1 31 31 ALA HB2 H 1 1.4720 0.02 . 1 . . . A 31 ALA HB2 . 25670 1 186 . 1 1 31 31 ALA HB3 H 1 1.4720 0.02 . 1 . . . A 31 ALA HB3 . 25670 1 187 . 1 1 32 32 ASN H H 1 8.0580 0.02 . 1 . . . A 32 ASN H . 25670 1 188 . 1 1 32 32 ASN HA H 1 4.6070 0.02 . 1 . . . A 32 ASN HA . 25670 1 189 . 1 1 32 32 ASN HB2 H 1 2.8340 0.02 . 1 . . . A 32 ASN HB2 . 25670 1 190 . 1 1 32 32 ASN HB3 H 1 2.8340 0.02 . 1 . . . A 32 ASN HB3 . 25670 1 191 . 1 1 32 32 ASN HD21 H 1 7.3850 0.02 . 1 . . . A 32 ASN HD21 . 25670 1 192 . 1 1 32 32 ASN HD22 H 1 6.8160 0.02 . 1 . . . A 32 ASN HD22 . 25670 1 193 . 1 1 33 33 LEU H H 1 8.1720 0.02 . 1 . . . A 33 LEU H . 25670 1 194 . 1 1 33 33 LEU HA H 1 4.3220 0.02 . 1 . . . A 33 LEU HA . 25670 1 195 . 1 1 33 33 LEU HB2 H 1 1.8460 0.02 . 1 . . . A 33 LEU HB2 . 25670 1 196 . 1 1 33 33 LEU HB3 H 1 1.7610 0.02 . 1 . . . A 33 LEU HB3 . 25670 1 197 . 1 1 33 33 LEU HG H 1 1.6620 0.02 . 1 . . . A 33 LEU HG . 25670 1 198 . 1 1 33 33 LEU HD11 H 1 0.9350 0.02 . 1 . . . A 33 LEU HD11 . 25670 1 199 . 1 1 33 33 LEU HD12 H 1 0.9350 0.02 . 1 . . . A 33 LEU HD12 . 25670 1 200 . 1 1 33 33 LEU HD13 H 1 0.9350 0.02 . 1 . . . A 33 LEU HD13 . 25670 1 201 . 1 1 33 33 LEU HD21 H 1 0.9020 0.02 . 1 . . . A 33 LEU HD21 . 25670 1 202 . 1 1 33 33 LEU HD22 H 1 0.9020 0.02 . 1 . . . A 33 LEU HD22 . 25670 1 203 . 1 1 33 33 LEU HD23 H 1 0.9020 0.02 . 1 . . . A 33 LEU HD23 . 25670 1 204 . 1 1 34 34 THR H H 1 7.9900 0.02 . 1 . . . A 34 THR H . 25670 1 205 . 1 1 34 34 THR HA H 1 4.3550 0.02 . 1 . . . A 34 THR HA . 25670 1 206 . 1 1 34 34 THR HB H 1 4.3630 0.02 . 1 . . . A 34 THR HB . 25670 1 207 . 1 1 34 34 THR HG21 H 1 1.2920 0.02 . 1 . . . A 34 THR HG21 . 25670 1 208 . 1 1 34 34 THR HG22 H 1 1.2920 0.02 . 1 . . . A 34 THR HG22 . 25670 1 209 . 1 1 34 34 THR HG23 H 1 1.2920 0.02 . 1 . . . A 34 THR HG23 . 25670 1 210 . 1 1 35 35 THR H H 1 7.8300 0.02 . 1 . . . A 35 THR H . 25670 1 211 . 1 1 35 35 THR HA H 1 4.4080 0.02 . 1 . . . A 35 THR HA . 25670 1 212 . 1 1 35 35 THR HG21 H 1 1.2830 0.02 . 1 . . . A 35 THR HG21 . 25670 1 213 . 1 1 35 35 THR HG22 H 1 1.2830 0.02 . 1 . . . A 35 THR HG22 . 25670 1 214 . 1 1 35 35 THR HG23 H 1 1.2830 0.02 . 1 . . . A 35 THR HG23 . 25670 1 215 . 1 1 36 36 GLY H H 1 8.1750 0.02 . 1 . . . A 36 GLY H . 25670 1 216 . 1 1 36 36 GLY HA2 H 1 3.9870 0.02 . 1 . . . A 36 GLY HA2 . 25670 1 217 . 1 1 36 36 GLY HA3 H 1 3.9870 0.02 . 1 . . . A 36 GLY HA3 . 25670 1 218 . 1 1 37 37 GLY H H 1 8.3220 0.02 . 1 . . . A 37 GLY H . 25670 1 219 . 1 1 37 37 GLY HA2 H 1 4.0150 0.02 . 1 . . . A 37 GLY HA2 . 25670 1 220 . 1 1 37 37 GLY HA3 H 1 3.9270 0.02 . 1 . . . A 37 GLY HA3 . 25670 1 221 . 1 1 39 39 ALA H H 1 8.1300 0.02 . 1 . . . A 39 ALA H . 25670 1 222 . 1 1 39 39 ALA HA H 1 4.3210 0.02 . 1 . . . A 39 ALA HA . 25670 1 223 . 1 1 39 39 ALA HB1 H 1 1.3760 0.02 . 1 . . . A 39 ALA HB1 . 25670 1 224 . 1 1 39 39 ALA HB2 H 1 1.3760 0.02 . 1 . . . A 39 ALA HB2 . 25670 1 225 . 1 1 39 39 ALA HB3 H 1 1.3760 0.02 . 1 . . . A 39 ALA HB3 . 25670 1 226 . 1 1 40 40 GLY H H 1 8.1560 0.02 . 1 . . . A 40 GLY H . 25670 1 227 . 1 1 40 40 GLY HA2 H 1 3.9970 0.02 . 1 . . . A 40 GLY HA2 . 25670 1 228 . 1 1 40 40 GLY HA3 H 1 3.9350 0.02 . 1 . . . A 40 GLY HA3 . 25670 1 229 . 1 1 41 41 TRP H H 1 7.9300 0.02 . 1 . . . A 41 TRP H . 25670 1 230 . 1 1 41 41 TRP HA H 1 4.6600 0.02 . 1 . . . A 41 TRP HA . 25670 1 231 . 1 1 41 41 TRP HB2 H 1 3.3060 0.02 . 1 . . . A 41 TRP HB2 . 25670 1 232 . 1 1 41 41 TRP HB3 H 1 3.3070 0.02 . 1 . . . A 41 TRP HB3 . 25670 1 233 . 1 1 41 41 TRP HD1 H 1 7.2550 0.02 . 1 . . . A 41 TRP HD1 . 25670 1 234 . 1 1 41 41 TRP HE1 H 1 10.0170 0.02 . 1 . . . A 41 TRP HE1 . 25670 1 235 . 1 1 41 41 TRP HE3 H 1 7.6370 0.02 . 1 . . . A 41 TRP HE3 . 25670 1 236 . 1 1 41 41 TRP HZ2 H 1 7.4890 0.02 . 1 . . . A 41 TRP HZ2 . 25670 1 237 . 1 1 41 41 TRP HZ3 H 1 7.1600 0.02 . 1 . . . A 41 TRP HZ3 . 25670 1 238 . 1 1 41 41 TRP HH2 H 1 7.2420 0.02 . 1 . . . A 41 TRP HH2 . 25670 1 239 . 1 1 43 43 GLY H H 1 7.1030 0.02 . 1 . . . A 43 GLY H . 25670 1 240 . 1 1 43 43 GLY HA2 H 1 3.7360 0.02 . 1 . . . A 43 GLY HA2 . 25670 1 241 . 1 1 43 43 GLY HA3 H 1 3.6260 0.02 . 1 . . . A 43 GLY HA3 . 25670 1 stop_ save_