data_28060 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28060 _Entry.Title ; HP1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-01-03 _Entry.Accession_date 2020-01-03 _Entry.Last_release_date 2020-01-16 _Entry.Original_release_date 2020-01-16 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _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 Gage Leighton . O. . . 28060 2 David Williams . C. Jr. . 28060 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28060 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 187 28060 '15N chemical shifts' 61 28060 '1H chemical shifts' 61 28060 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2020-01-21 . original BMRB . 28060 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 28060 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; HP1 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Gage Leighton . O. . . 28060 1 2 David Williams . C. Jr. . 28060 1 3 Marcey Waters . L. . . 28060 1 4 Mackenzie Krone . W. . . 28060 1 5 Katherine Albanese . I. . . 28060 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28060 _Assembly.ID 1 _Assembly.Name HP1 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 HP1 1 $HP1 A . yes native no no . . . 28060 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HP1 _Entity.Sf_category entity _Entity.Sf_framecode HP1 _Entity.Entry_ID 28060 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HP1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKKHHHHHHAEEEEEEYAVE KIIDRRVRKGMVEYYLKWKG YPETENTWEPENNLDCQDLI QQYEASRKD ; _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 69 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 8 MET . 28060 1 2 9 LYS . 28060 1 3 10 LYS . 28060 1 4 11 HIS . 28060 1 5 12 HIS . 28060 1 6 13 HIS . 28060 1 7 14 HIS . 28060 1 8 15 HIS . 28060 1 9 16 HIS . 28060 1 10 17 ALA . 28060 1 11 18 GLU . 28060 1 12 19 GLU . 28060 1 13 20 GLU . 28060 1 14 21 GLU . 28060 1 15 22 GLU . 28060 1 16 23 GLU . 28060 1 17 24 TYR . 28060 1 18 25 ALA . 28060 1 19 26 VAL . 28060 1 20 27 GLU . 28060 1 21 28 LYS . 28060 1 22 29 ILE . 28060 1 23 30 ILE . 28060 1 24 31 ASP . 28060 1 25 32 ARG . 28060 1 26 33 ARG . 28060 1 27 34 VAL . 28060 1 28 35 ARG . 28060 1 29 36 LYS . 28060 1 30 37 GLY . 28060 1 31 38 MET . 28060 1 32 39 VAL . 28060 1 33 40 GLU . 28060 1 34 41 TYR . 28060 1 35 42 TYR . 28060 1 36 43 LEU . 28060 1 37 44 LYS . 28060 1 38 45 TRP . 28060 1 39 46 LYS . 28060 1 40 47 GLY . 28060 1 41 48 TYR . 28060 1 42 49 PRO . 28060 1 43 50 GLU . 28060 1 44 51 THR . 28060 1 45 52 GLU . 28060 1 46 53 ASN . 28060 1 47 54 THR . 28060 1 48 55 TRP . 28060 1 49 56 GLU . 28060 1 50 57 PRO . 28060 1 51 58 GLU . 28060 1 52 59 ASN . 28060 1 53 60 ASN . 28060 1 54 61 LEU . 28060 1 55 62 ASP . 28060 1 56 63 CYS . 28060 1 57 64 GLN . 28060 1 58 65 ASP . 28060 1 59 66 LEU . 28060 1 60 67 ILE . 28060 1 61 68 GLN . 28060 1 62 69 GLN . 28060 1 63 70 TYR . 28060 1 64 71 GLU . 28060 1 65 72 ALA . 28060 1 66 73 SER . 28060 1 67 74 ARG . 28060 1 68 75 LYS . 28060 1 69 76 ASP . 28060 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 28060 1 . LYS 2 2 28060 1 . LYS 3 3 28060 1 . HIS 4 4 28060 1 . HIS 5 5 28060 1 . HIS 6 6 28060 1 . HIS 7 7 28060 1 . HIS 8 8 28060 1 . HIS 9 9 28060 1 . ALA 10 10 28060 1 . GLU 11 11 28060 1 . GLU 12 12 28060 1 . GLU 13 13 28060 1 . GLU 14 14 28060 1 . GLU 15 15 28060 1 . GLU 16 16 28060 1 . TYR 17 17 28060 1 . ALA 18 18 28060 1 . VAL 19 19 28060 1 . GLU 20 20 28060 1 . LYS 21 21 28060 1 . ILE 22 22 28060 1 . ILE 23 23 28060 1 . ASP 24 24 28060 1 . ARG 25 25 28060 1 . ARG 26 26 28060 1 . VAL 27 27 28060 1 . ARG 28 28 28060 1 . LYS 29 29 28060 1 . GLY 30 30 28060 1 . MET 31 31 28060 1 . VAL 32 32 28060 1 . GLU 33 33 28060 1 . TYR 34 34 28060 1 . TYR 35 35 28060 1 . LEU 36 36 28060 1 . LYS 37 37 28060 1 . TRP 38 38 28060 1 . LYS 39 39 28060 1 . GLY 40 40 28060 1 . TYR 41 41 28060 1 . PRO 42 42 28060 1 . GLU 43 43 28060 1 . THR 44 44 28060 1 . GLU 45 45 28060 1 . ASN 46 46 28060 1 . THR 47 47 28060 1 . TRP 48 48 28060 1 . GLU 49 49 28060 1 . PRO 50 50 28060 1 . GLU 51 51 28060 1 . ASN 52 52 28060 1 . ASN 53 53 28060 1 . LEU 54 54 28060 1 . ASP 55 55 28060 1 . CYS 56 56 28060 1 . GLN 57 57 28060 1 . ASP 58 58 28060 1 . LEU 59 59 28060 1 . ILE 60 60 28060 1 . GLN 61 61 28060 1 . GLN 62 62 28060 1 . TYR 63 63 28060 1 . GLU 64 64 28060 1 . ALA 65 65 28060 1 . SER 66 66 28060 1 . ARG 67 67 28060 1 . LYS 68 68 28060 1 . ASP 69 69 28060 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 28060 _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 $HP1 . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . 28060 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 28060 _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 $HP1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET11a . . . 28060 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28060 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HP1 '[U-100% 13C; U-100% 15N]' . . 1 $HP1 . . 250 . . uM . . . . 28060 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 28060 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 28060 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 40 . mM 28060 1 pH 7.5 . pH 28060 1 pressure 1 . atm 28060 1 temperature 298 . K 28060 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 28060 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 28060 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 28060 1 stop_ save_ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 28060 _Software.ID 2 _Software.Type . _Software.Name CCPNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 28060 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 28060 2 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 28060 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 28060 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 28060 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 28060 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28060 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28060 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28060 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28060 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28060 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 28060 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 28060 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 28060 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 28060 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 28060 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 28060 1 2 '3D CBCA(CO)NH' . . . 28060 1 3 '3D HNCO' . . . 28060 1 4 '3D HNCA' . . . 28060 1 5 '3D HNCACB' . . . 28060 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 6 6 HIS C C 13 175.792 0.000 . 1 . . . . . 13 HIS C . 28060 1 2 . 1 1 6 6 HIS CA C 13 55.945 0.000 . 1 . . . . . 13 HIS CA . 28060 1 3 . 1 1 6 6 HIS CB C 13 33.337 0.000 . 1 . . . . . 13 HIS CB . 28060 1 4 . 1 1 7 7 HIS H H 1 8.390 0.002 . 1 . . . . . 14 HIS H . 28060 1 5 . 1 1 7 7 HIS C C 13 175.981 0.000 . 1 . . . . . 14 HIS C . 28060 1 6 . 1 1 7 7 HIS CA C 13 55.979 0.032 . 1 . . . . . 14 HIS CA . 28060 1 7 . 1 1 7 7 HIS CB C 13 33.614 0.056 . 1 . . . . . 14 HIS CB . 28060 1 8 . 1 1 7 7 HIS N N 15 122.343 0.015 . 1 . . . . . 14 HIS N . 28060 1 9 . 1 1 8 8 HIS H H 1 8.730 0.053 . 1 . . . . . 15 HIS H . 28060 1 10 . 1 1 8 8 HIS C C 13 174.514 0.000 . 1 . . . . . 15 HIS C . 28060 1 11 . 1 1 8 8 HIS CA C 13 55.893 0.041 . 1 . . . . . 15 HIS CA . 28060 1 12 . 1 1 8 8 HIS CB C 13 29.889 0.014 . 1 . . . . . 15 HIS CB . 28060 1 13 . 1 1 8 8 HIS N N 15 120.559 0.081 . 1 . . . . . 15 HIS N . 28060 1 14 . 1 1 9 9 HIS H H 1 8.527 0.010 . 1 . . . . . 16 HIS H . 28060 1 15 . 1 1 9 9 HIS C C 13 174.297 0.000 . 1 . . . . . 16 HIS C . 28060 1 16 . 1 1 9 9 HIS CA C 13 55.656 0.011 . 1 . . . . . 16 HIS CA . 28060 1 17 . 1 1 9 9 HIS CB C 13 29.762 0.054 . 1 . . . . . 16 HIS CB . 28060 1 18 . 1 1 9 9 HIS N N 15 120.488 0.066 . 1 . . . . . 16 HIS N . 28060 1 19 . 1 1 10 10 ALA H H 1 8.448 0.005 . 1 . . . . . 17 ALA H . 28060 1 20 . 1 1 10 10 ALA C C 13 177.689 0.000 . 1 . . . . . 17 ALA C . 28060 1 21 . 1 1 10 10 ALA CA C 13 52.969 0.031 . 1 . . . . . 17 ALA CA . 28060 1 22 . 1 1 10 10 ALA CB C 13 19.233 0.018 . 1 . . . . . 17 ALA CB . 28060 1 23 . 1 1 10 10 ALA N N 15 125.142 0.033 . 1 . . . . . 17 ALA N . 28060 1 24 . 1 1 11 11 GLU H H 1 8.595 0.003 . 1 . . . . . 18 GLU H . 28060 1 25 . 1 1 11 11 GLU C C 13 176.607 0.000 . 1 . . . . . 18 GLU C . 28060 1 26 . 1 1 11 11 GLU CA C 13 57.163 0.031 . 1 . . . . . 18 GLU CA . 28060 1 27 . 1 1 11 11 GLU CB C 13 29.718 0.001 . 1 . . . . . 18 GLU CB . 28060 1 28 . 1 1 11 11 GLU N N 15 119.132 0.030 . 1 . . . . . 18 GLU N . 28060 1 29 . 1 1 12 12 GLU H H 1 8.277 0.004 . 1 . . . . . 19 GLU H . 28060 1 30 . 1 1 12 12 GLU C C 13 176.355 0.000 . 1 . . . . . 19 GLU C . 28060 1 31 . 1 1 12 12 GLU CA C 13 56.680 0.033 . 1 . . . . . 19 GLU CA . 28060 1 32 . 1 1 12 12 GLU CB C 13 30.178 0.066 . 1 . . . . . 19 GLU CB . 28060 1 33 . 1 1 12 12 GLU N N 15 119.893 0.051 . 1 . . . . . 19 GLU N . 28060 1 34 . 1 1 13 13 GLU H H 1 8.283 0.007 . 1 . . . . . 20 GLU H . 28060 1 35 . 1 1 13 13 GLU C C 13 176.289 0.000 . 1 . . . . . 20 GLU C . 28060 1 36 . 1 1 13 13 GLU CA C 13 56.549 0.018 . 1 . . . . . 20 GLU CA . 28060 1 37 . 1 1 13 13 GLU CB C 13 30.427 0.050 . 1 . . . . . 20 GLU CB . 28060 1 38 . 1 1 13 13 GLU N N 15 121.024 0.032 . 1 . . . . . 20 GLU N . 28060 1 39 . 1 1 14 14 GLU H H 1 8.348 0.005 . 1 . . . . . 21 GLU H . 28060 1 40 . 1 1 14 14 GLU C C 13 176.120 0.000 . 1 . . . . . 21 GLU C . 28060 1 41 . 1 1 14 14 GLU CA C 13 56.417 0.060 . 1 . . . . . 21 GLU CA . 28060 1 42 . 1 1 14 14 GLU CB C 13 30.791 0.000 . 1 . . . . . 21 GLU CB . 28060 1 43 . 1 1 14 14 GLU N N 15 121.432 0.039 . 1 . . . . . 21 GLU N . 28060 1 44 . 1 1 15 15 GLU H H 1 8.282 0.002 . 1 . . . . . 22 GLU H . 28060 1 45 . 1 1 15 15 GLU C C 13 175.374 0.000 . 1 . . . . . 22 GLU C . 28060 1 46 . 1 1 15 15 GLU CA C 13 56.278 0.031 . 1 . . . . . 22 GLU CA . 28060 1 47 . 1 1 15 15 GLU CB C 13 30.784 0.006 . 1 . . . . . 22 GLU CB . 28060 1 48 . 1 1 15 15 GLU N N 15 122.126 0.014 . 1 . . . . . 22 GLU N . 28060 1 49 . 1 1 16 16 GLU H H 1 8.292 0.000 . 1 . . . . . 23 GLU H . 28060 1 50 . 1 1 16 16 GLU C C 13 175.940 0.000 . 1 . . . . . 23 GLU C . 28060 1 51 . 1 1 16 16 GLU CA C 13 56.081 0.042 . 1 . . . . . 23 GLU CA . 28060 1 52 . 1 1 16 16 GLU CB C 13 30.791 0.030 . 1 . . . . . 23 GLU CB . 28060 1 53 . 1 1 16 16 GLU N N 15 122.141 0.000 . 1 . . . . . 23 GLU N . 28060 1 54 . 1 1 17 17 TYR H H 1 8.705 0.379 . 1 . . . . . 24 TYR H . 28060 1 55 . 1 1 17 17 TYR C C 13 174.700 0.000 . 1 . . . . . 24 TYR C . 28060 1 56 . 1 1 17 17 TYR CA C 13 57.613 0.020 . 1 . . . . . 24 TYR CA . 28060 1 57 . 1 1 17 17 TYR CB C 13 39.805 0.014 . 1 . . . . . 24 TYR CB . 28060 1 58 . 1 1 17 17 TYR N N 15 124.426 1.050 . 1 . . . . . 24 TYR N . 28060 1 59 . 1 1 18 18 ALA H H 1 9.259 0.039 . 1 . . . . . 25 ALA H . 28060 1 60 . 1 1 18 18 ALA C C 13 176.584 0.000 . 1 . . . . . 25 ALA C . 28060 1 61 . 1 1 18 18 ALA CA C 13 50.903 0.012 . 1 . . . . . 25 ALA CA . 28060 1 62 . 1 1 18 18 ALA CB C 13 21.517 0.000 . 1 . . . . . 25 ALA CB . 28060 1 63 . 1 1 18 18 ALA N N 15 125.871 0.275 . 1 . . . . . 25 ALA N . 28060 1 64 . 1 1 19 19 VAL H H 1 8.887 0.001 . 1 . . . . . 26 VAL H . 28060 1 65 . 1 1 19 19 VAL C C 13 175.196 0.000 . 1 . . . . . 26 VAL C . 28060 1 66 . 1 1 19 19 VAL CA C 13 64.113 0.018 . 1 . . . . . 26 VAL CA . 28060 1 67 . 1 1 19 19 VAL CB C 13 32.791 0.023 . 1 . . . . . 26 VAL CB . 28060 1 68 . 1 1 19 19 VAL N N 15 124.713 0.010 . 1 . . . . . 26 VAL N . 28060 1 69 . 1 1 20 20 GLU H H 1 9.403 0.018 . 1 . . . . . 27 GLU H . 28060 1 70 . 1 1 20 20 GLU C C 13 175.639 0.000 . 1 . . . . . 27 GLU C . 28060 1 71 . 1 1 20 20 GLU CA C 13 57.243 0.000 . 1 . . . . . 27 GLU CA . 28060 1 72 . 1 1 20 20 GLU CB C 13 32.262 0.000 . 1 . . . . . 27 GLU CB . 28060 1 73 . 1 1 20 20 GLU N N 15 127.443 0.017 . 1 . . . . . 27 GLU N . 28060 1 74 . 1 1 21 21 LYS H H 1 7.381 0.017 . 1 . . . . . 28 LYS H . 28060 1 75 . 1 1 21 21 LYS C C 13 172.788 0.000 . 1 . . . . . 28 LYS C . 28060 1 76 . 1 1 21 21 LYS CA C 13 55.496 0.006 . 1 . . . . . 28 LYS CA . 28060 1 77 . 1 1 21 21 LYS CB C 13 36.456 0.020 . 1 . . . . . 28 LYS CB . 28060 1 78 . 1 1 21 21 LYS N N 15 114.706 0.033 . 1 . . . . . 28 LYS N . 28060 1 79 . 1 1 22 22 ILE H H 1 8.457 0.002 . 1 . . . . . 29 ILE H . 28060 1 80 . 1 1 22 22 ILE C C 13 174.817 0.000 . 1 . . . . . 29 ILE C . 28060 1 81 . 1 1 22 22 ILE CA C 13 60.859 0.000 . 1 . . . . . 29 ILE CA . 28060 1 82 . 1 1 22 22 ILE CB C 13 37.683 0.004 . 1 . . . . . 29 ILE CB . 28060 1 83 . 1 1 22 22 ILE N N 15 123.202 0.016 . 1 . . . . . 29 ILE N . 28060 1 84 . 1 1 23 23 ILE H H 1 8.912 0.000 . 1 . . . . . 30 ILE H . 28060 1 85 . 1 1 23 23 ILE C C 13 175.271 0.000 . 1 . . . . . 30 ILE C . 28060 1 86 . 1 1 23 23 ILE CA C 13 61.123 0.064 . 1 . . . . . 30 ILE CA . 28060 1 87 . 1 1 23 23 ILE CB C 13 39.210 0.006 . 1 . . . . . 30 ILE CB . 28060 1 88 . 1 1 23 23 ILE N N 15 124.814 0.007 . 1 . . . . . 30 ILE N . 28060 1 89 . 1 1 24 24 ASP H H 1 7.610 0.009 . 1 . . . . . 31 ASP H . 28060 1 90 . 1 1 24 24 ASP C C 13 173.306 0.000 . 1 . . . . . 31 ASP C . 28060 1 91 . 1 1 24 24 ASP CA C 13 52.575 0.007 . 1 . . . . . 31 ASP CA . 28060 1 92 . 1 1 24 24 ASP CB C 13 44.491 0.031 . 1 . . . . . 31 ASP CB . 28060 1 93 . 1 1 24 24 ASP N N 15 117.510 0.028 . 1 . . . . . 31 ASP N . 28060 1 94 . 1 1 25 25 ARG H H 1 9.433 0.005 . 1 . . . . . 32 ARG H . 28060 1 95 . 1 1 25 25 ARG C C 13 174.034 0.000 . 1 . . . . . 32 ARG C . 28060 1 96 . 1 1 25 25 ARG CA C 13 55.236 0.007 . 1 . . . . . 32 ARG CA . 28060 1 97 . 1 1 25 25 ARG CB C 13 35.365 0.000 . 1 . . . . . 32 ARG CB . 28060 1 98 . 1 1 25 25 ARG N N 15 121.774 0.019 . 1 . . . . . 32 ARG N . 28060 1 99 . 1 1 26 26 ARG H H 1 9.413 0.006 . 1 . . . . . 33 ARG H . 28060 1 100 . 1 1 26 26 ARG C C 13 171.914 0.000 . 1 . . . . . 33 ARG C . 28060 1 101 . 1 1 26 26 ARG CA C 13 54.149 0.029 . 1 . . . . . 33 ARG CA . 28060 1 102 . 1 1 26 26 ARG CB C 13 32.643 0.068 . 1 . . . . . 33 ARG CB . 28060 1 103 . 1 1 26 26 ARG N N 15 124.218 0.013 . 1 . . . . . 33 ARG N . 28060 1 104 . 1 1 27 27 VAL H H 1 8.264 0.003 . 1 . . . . . 34 VAL H . 28060 1 105 . 1 1 27 27 VAL C C 13 176.163 0.000 . 1 . . . . . 34 VAL C . 28060 1 106 . 1 1 27 27 VAL CA C 13 61.027 0.000 . 1 . . . . . 34 VAL CA . 28060 1 107 . 1 1 27 27 VAL CB C 13 32.860 0.000 . 1 . . . . . 34 VAL CB . 28060 1 108 . 1 1 27 27 VAL N N 15 119.076 0.028 . 1 . . . . . 34 VAL N . 28060 1 109 . 1 1 28 28 ARG H H 1 9.003 0.003 . 1 . . . . . 35 ARG H . 28060 1 110 . 1 1 28 28 ARG C C 13 175.328 0.000 . 1 . . . . . 35 ARG C . 28060 1 111 . 1 1 28 28 ARG CA C 13 54.892 0.019 . 1 . . . . . 35 ARG CA . 28060 1 112 . 1 1 28 28 ARG CB C 13 33.426 0.047 . 1 . . . . . 35 ARG CB . 28060 1 113 . 1 1 28 28 ARG N N 15 128.729 0.018 . 1 . . . . . 35 ARG N . 28060 1 114 . 1 1 29 29 LYS H H 1 9.469 0.003 . 1 . . . . . 36 LYS H . 28060 1 115 . 1 1 29 29 LYS C C 13 176.402 0.000 . 1 . . . . . 36 LYS C . 28060 1 116 . 1 1 29 29 LYS CA C 13 56.993 0.048 . 1 . . . . . 36 LYS CA . 28060 1 117 . 1 1 29 29 LYS CB C 13 30.075 0.015 . 1 . . . . . 36 LYS CB . 28060 1 118 . 1 1 29 29 LYS N N 15 126.758 0.026 . 1 . . . . . 36 LYS N . 28060 1 119 . 1 1 30 30 GLY H H 1 8.297 0.003 . 1 . . . . . 37 GLY H . 28060 1 120 . 1 1 30 30 GLY C C 13 173.295 0.000 . 1 . . . . . 37 GLY C . 28060 1 121 . 1 1 30 30 GLY CA C 13 45.410 0.001 . 1 . . . . . 37 GLY CA . 28060 1 122 . 1 1 30 30 GLY N N 15 105.645 7.506 . 1 . . . . . 37 GLY N . 28060 1 123 . 1 1 31 31 MET H H 1 7.838 0.005 . 1 . . . . . 38 MET H . 28060 1 124 . 1 1 31 31 MET C C 13 174.195 0.000 . 1 . . . . . 38 MET C . 28060 1 125 . 1 1 31 31 MET CA C 13 53.573 0.030 . 1 . . . . . 38 MET CA . 28060 1 126 . 1 1 31 31 MET CB C 13 34.242 0.029 . 1 . . . . . 38 MET CB . 28060 1 127 . 1 1 31 31 MET N N 15 120.979 0.017 . 1 . . . . . 38 MET N . 28060 1 128 . 1 1 32 32 VAL H H 1 8.641 0.001 . 1 . . . . . 39 VAL H . 28060 1 129 . 1 1 32 32 VAL C C 13 175.685 0.000 . 1 . . . . . 39 VAL C . 28060 1 130 . 1 1 32 32 VAL CA C 13 63.251 0.032 . 1 . . . . . 39 VAL CA . 28060 1 131 . 1 1 32 32 VAL CB C 13 31.690 0.000 . 1 . . . . . 39 VAL CB . 28060 1 132 . 1 1 32 32 VAL N N 15 125.336 0.011 . 1 . . . . . 39 VAL N . 28060 1 133 . 1 1 33 33 GLU H H 1 9.083 0.002 . 1 . . . . . 40 GLU H . 28060 1 134 . 1 1 33 33 GLU C C 13 174.385 0.000 . 1 . . . . . 40 GLU C . 28060 1 135 . 1 1 33 33 GLU CA C 13 53.875 0.012 . 1 . . . . . 40 GLU CA . 28060 1 136 . 1 1 33 33 GLU CB C 13 34.911 0.000 . 1 . . . . . 40 GLU CB . 28060 1 137 . 1 1 33 33 GLU N N 15 125.986 0.017 . 1 . . . . . 40 GLU N . 28060 1 138 . 1 1 34 34 TYR H H 1 8.973 0.004 . 1 . . . . . 41 TYR H . 28060 1 139 . 1 1 34 34 TYR C C 13 173.386 0.000 . 1 . . . . . 41 TYR C . 28060 1 140 . 1 1 34 34 TYR CA C 13 57.066 0.038 . 1 . . . . . 41 TYR CA . 28060 1 141 . 1 1 34 34 TYR CB C 13 42.548 0.013 . 1 . . . . . 41 TYR CB . 28060 1 142 . 1 1 34 34 TYR N N 15 118.412 0.028 . 1 . . . . . 41 TYR N . 28060 1 143 . 1 1 35 35 TYR H H 1 7.980 0.002 . 1 . . . . . 42 TYR H . 28060 1 144 . 1 1 35 35 TYR C C 13 174.233 0.000 . 1 . . . . . 42 TYR C . 28060 1 145 . 1 1 35 35 TYR CA C 13 54.830 0.015 . 1 . . . . . 42 TYR CA . 28060 1 146 . 1 1 35 35 TYR CB C 13 37.315 0.014 . 1 . . . . . 42 TYR CB . 28060 1 147 . 1 1 35 35 TYR N N 15 126.112 0.032 . 1 . . . . . 42 TYR N . 28060 1 148 . 1 1 36 36 LEU H H 1 8.388 0.011 . 1 . . . . . 43 LEU H . 28060 1 149 . 1 1 36 36 LEU C C 13 173.269 0.000 . 1 . . . . . 43 LEU C . 28060 1 150 . 1 1 36 36 LEU CA C 13 53.926 0.007 . 1 . . . . . 43 LEU CA . 28060 1 151 . 1 1 36 36 LEU CB C 13 43.598 0.020 . 1 . . . . . 43 LEU CB . 28060 1 152 . 1 1 36 36 LEU N N 15 127.561 0.021 . 1 . . . . . 43 LEU N . 28060 1 153 . 1 1 37 37 LYS H H 1 7.478 0.013 . 1 . . . . . 44 LYS H . 28060 1 154 . 1 1 37 37 LYS C C 13 175.620 0.000 . 1 . . . . . 44 LYS C . 28060 1 155 . 1 1 37 37 LYS CA C 13 53.199 0.004 . 1 . . . . . 44 LYS CA . 28060 1 156 . 1 1 37 37 LYS CB C 13 35.406 0.000 . 1 . . . . . 44 LYS CB . 28060 1 157 . 1 1 37 37 LYS N N 15 118.392 0.012 . 1 . . . . . 44 LYS N . 28060 1 158 . 1 1 38 38 TRP H H 1 9.166 0.037 . 1 . . . . . 45 TRP H . 28060 1 159 . 1 1 38 38 TRP C C 13 177.068 0.000 . 1 . . . . . 45 TRP C . 28060 1 160 . 1 1 38 38 TRP CA C 13 55.814 0.032 . 1 . . . . . 45 TRP CA . 28060 1 161 . 1 1 38 38 TRP CB C 13 30.802 0.040 . 1 . . . . . 45 TRP CB . 28060 1 162 . 1 1 38 38 TRP N N 15 131.396 0.132 . 1 . . . . . 45 TRP N . 28060 1 163 . 1 1 39 39 LYS H H 1 9.357 0.026 . 1 . . . . . 46 LYS H . 28060 1 164 . 1 1 39 39 LYS C C 13 178.148 0.000 . 1 . . . . . 46 LYS C . 28060 1 165 . 1 1 39 39 LYS CA C 13 58.280 0.000 . 1 . . . . . 46 LYS CA . 28060 1 166 . 1 1 39 39 LYS CB C 13 32.866 0.025 . 1 . . . . . 46 LYS CB . 28060 1 167 . 1 1 39 39 LYS N N 15 125.191 0.064 . 1 . . . . . 46 LYS N . 28060 1 168 . 1 1 40 40 GLY H H 1 9.215 0.031 . 1 . . . . . 47 GLY H . 28060 1 169 . 1 1 40 40 GLY C C 13 173.341 0.000 . 1 . . . . . 47 GLY C . 28060 1 170 . 1 1 40 40 GLY CA C 13 45.173 0.011 . 1 . . . . . 47 GLY CA . 28060 1 171 . 1 1 40 40 GLY N N 15 112.880 0.071 . 1 . . . . . 47 GLY N . 28060 1 172 . 1 1 41 41 TYR H H 1 7.700 0.047 . 1 . . . . . 48 TYR H . 28060 1 173 . 1 1 41 41 TYR CA C 13 55.854 0.022 . 1 . . . . . 48 TYR CA . 28060 1 174 . 1 1 41 41 TYR CB C 13 40.336 0.000 . 1 . . . . . 48 TYR CB . 28060 1 175 . 1 1 41 41 TYR N N 15 118.480 0.017 . 1 . . . . . 48 TYR N . 28060 1 176 . 1 1 42 42 PRO C C 13 177.761 0.000 . 1 . . . . . 49 PRO C . 28060 1 177 . 1 1 42 42 PRO CA C 13 61.942 0.039 . 1 . . . . . 49 PRO CA . 28060 1 178 . 1 1 42 42 PRO CB C 13 33.303 0.010 . 1 . . . . . 49 PRO CB . 28060 1 179 . 1 1 43 43 GLU H H 1 9.092 0.001 . 1 . . . . . 50 GLU H . 28060 1 180 . 1 1 43 43 GLU C C 13 178.277 0.000 . 1 . . . . . 50 GLU C . 28060 1 181 . 1 1 43 43 GLU CA C 13 58.301 0.007 . 1 . . . . . 50 GLU CA . 28060 1 182 . 1 1 43 43 GLU CB C 13 29.258 0.000 . 1 . . . . . 50 GLU CB . 28060 1 183 . 1 1 43 43 GLU N N 15 118.824 0.072 . 1 . . . . . 50 GLU N . 28060 1 184 . 1 1 44 44 THR H H 1 7.210 0.007 . 1 . . . . . 51 THR H . 28060 1 185 . 1 1 44 44 THR C C 13 176.092 0.000 . 1 . . . . . 51 THR C . 28060 1 186 . 1 1 44 44 THR CA C 13 63.651 0.048 . 1 . . . . . 51 THR CA . 28060 1 187 . 1 1 44 44 THR CB C 13 68.160 0.011 . 1 . . . . . 51 THR CB . 28060 1 188 . 1 1 44 44 THR N N 15 108.954 0.071 . 1 . . . . . 51 THR N . 28060 1 189 . 1 1 45 45 GLU H H 1 8.125 0.014 . 1 . . . . . 52 GLU H . 28060 1 190 . 1 1 45 45 GLU C C 13 174.912 0.000 . 1 . . . . . 52 GLU C . 28060 1 191 . 1 1 45 45 GLU CA C 13 54.664 0.000 . 1 . . . . . 52 GLU CA . 28060 1 192 . 1 1 45 45 GLU CB C 13 28.803 0.000 . 1 . . . . . 52 GLU CB . 28060 1 193 . 1 1 45 45 GLU N N 15 119.404 0.122 . 1 . . . . . 52 GLU N . 28060 1 194 . 1 1 46 46 ASN H H 1 7.279 0.042 . 1 . . . . . 53 ASN H . 28060 1 195 . 1 1 46 46 ASN C C 13 176.385 0.000 . 1 . . . . . 53 ASN C . 28060 1 196 . 1 1 46 46 ASN CA C 13 54.270 0.020 . 1 . . . . . 53 ASN CA . 28060 1 197 . 1 1 46 46 ASN CB C 13 36.873 0.017 . 1 . . . . . 53 ASN CB . 28060 1 198 . 1 1 46 46 ASN N N 15 120.070 0.011 . 1 . . . . . 53 ASN N . 28060 1 199 . 1 1 47 47 THR H H 1 7.456 0.013 . 1 . . . . . 54 THR H . 28060 1 200 . 1 1 47 47 THR C C 13 173.023 0.000 . 1 . . . . . 54 THR C . 28060 1 201 . 1 1 47 47 THR CA C 13 59.718 0.066 . 1 . . . . . 54 THR CA . 28060 1 202 . 1 1 47 47 THR CB C 13 72.400 0.018 . 1 . . . . . 54 THR CB . 28060 1 203 . 1 1 47 47 THR N N 15 110.007 0.021 . 1 . . . . . 54 THR N . 28060 1 204 . 1 1 48 48 TRP H H 1 8.595 0.003 . 1 . . . . . 55 TRP H . 28060 1 205 . 1 1 48 48 TRP C C 13 177.449 0.000 . 1 . . . . . 55 TRP C . 28060 1 206 . 1 1 48 48 TRP CA C 13 56.153 0.044 . 1 . . . . . 55 TRP CA . 28060 1 207 . 1 1 48 48 TRP CB C 13 30.473 0.026 . 1 . . . . . 55 TRP CB . 28060 1 208 . 1 1 48 48 TRP N N 15 120.539 0.061 . 1 . . . . . 55 TRP N . 28060 1 209 . 1 1 49 49 GLU H H 1 9.552 0.002 . 1 . . . . . 56 GLU H . 28060 1 210 . 1 1 49 49 GLU CA C 13 52.038 0.005 . 1 . . . . . 56 GLU CA . 28060 1 211 . 1 1 49 49 GLU CB C 13 32.807 0.000 . 1 . . . . . 56 GLU CB . 28060 1 212 . 1 1 49 49 GLU N N 15 122.425 0.019 . 1 . . . . . 56 GLU N . 28060 1 213 . 1 1 50 50 PRO C C 13 178.222 0.000 . 1 . . . . . 57 PRO C . 28060 1 214 . 1 1 50 50 PRO CA C 13 62.469 0.030 . 1 . . . . . 57 PRO CA . 28060 1 215 . 1 1 50 50 PRO CB C 13 32.570 0.026 . 1 . . . . . 57 PRO CB . 28060 1 216 . 1 1 51 51 GLU H H 1 8.840 0.007 . 1 . . . . . 58 GLU H . 28060 1 217 . 1 1 51 51 GLU C C 13 177.436 0.000 . 1 . . . . . 58 GLU C . 28060 1 218 . 1 1 51 51 GLU CA C 13 59.839 0.010 . 1 . . . . . 58 GLU CA . 28060 1 219 . 1 1 51 51 GLU CB C 13 29.840 0.000 . 1 . . . . . 58 GLU CB . 28060 1 220 . 1 1 51 51 GLU N N 15 122.294 0.030 . 1 . . . . . 58 GLU N . 28060 1 221 . 1 1 52 52 ASN H H 1 8.295 0.008 . 1 . . . . . 59 ASN H . 28060 1 222 . 1 1 52 52 ASN C C 13 175.527 0.000 . 1 . . . . . 59 ASN C . 28060 1 223 . 1 1 52 52 ASN CA C 13 54.699 0.000 . 1 . . . . . 59 ASN CA . 28060 1 224 . 1 1 52 52 ASN CB C 13 37.465 0.012 . 1 . . . . . 59 ASN CB . 28060 1 225 . 1 1 52 52 ASN N N 15 114.036 0.017 . 1 . . . . . 59 ASN N . 28060 1 226 . 1 1 53 53 ASN H H 1 7.974 0.003 . 1 . . . . . 60 ASN H . 28060 1 227 . 1 1 53 53 ASN C C 13 174.950 0.000 . 1 . . . . . 60 ASN C . 28060 1 228 . 1 1 53 53 ASN CA C 13 52.488 0.019 . 1 . . . . . 60 ASN CA . 28060 1 229 . 1 1 53 53 ASN CB C 13 39.523 0.000 . 1 . . . . . 60 ASN CB . 28060 1 230 . 1 1 53 53 ASN N N 15 117.340 0.019 . 1 . . . . . 60 ASN N . 28060 1 231 . 1 1 54 54 LEU H H 1 7.476 0.004 . 1 . . . . . 61 LEU H . 28060 1 232 . 1 1 54 54 LEU C C 13 176.585 0.000 . 1 . . . . . 61 LEU C . 28060 1 233 . 1 1 54 54 LEU CA C 13 54.757 0.048 . 1 . . . . . 61 LEU CA . 28060 1 234 . 1 1 54 54 LEU CB C 13 44.288 0.020 . 1 . . . . . 61 LEU CB . 28060 1 235 . 1 1 54 54 LEU N N 15 119.571 0.070 . 1 . . . . . 61 LEU N . 28060 1 236 . 1 1 55 55 ASP H H 1 8.618 0.029 . 1 . . . . . 62 ASP H . 28060 1 237 . 1 1 55 55 ASP C C 13 176.172 0.000 . 1 . . . . . 62 ASP C . 28060 1 238 . 1 1 55 55 ASP CA C 13 52.976 0.005 . 1 . . . . . 62 ASP CA . 28060 1 239 . 1 1 55 55 ASP CB C 13 41.063 0.006 . 1 . . . . . 62 ASP CB . 28060 1 240 . 1 1 55 55 ASP N N 15 120.188 0.037 . 1 . . . . . 62 ASP N . 28060 1 241 . 1 1 56 56 CYS H H 1 7.776 0.011 . 1 . . . . . 63 CYS H . 28060 1 242 . 1 1 56 56 CYS C C 13 175.295 0.000 . 1 . . . . . 63 CYS C . 28060 1 243 . 1 1 56 56 CYS CA C 13 53.425 0.025 . 1 . . . . . 63 CYS CA . 28060 1 244 . 1 1 56 56 CYS CB C 13 27.562 0.026 . 1 . . . . . 63 CYS CB . 28060 1 245 . 1 1 56 56 CYS N N 15 116.824 0.054 . 1 . . . . . 63 CYS N . 28060 1 246 . 1 1 57 57 GLN H H 1 8.381 0.002 . 1 . . . . . 64 GLN H . 28060 1 247 . 1 1 57 57 GLN C C 13 177.459 0.000 . 1 . . . . . 64 GLN C . 28060 1 248 . 1 1 57 57 GLN CA C 13 59.763 0.004 . 1 . . . . . 64 GLN CA . 28060 1 249 . 1 1 57 57 GLN CB C 13 28.137 0.078 . 1 . . . . . 64 GLN CB . 28060 1 250 . 1 1 57 57 GLN N N 15 122.540 0.008 . 1 . . . . . 64 GLN N . 28060 1 251 . 1 1 58 58 ASP H H 1 8.797 0.001 . 1 . . . . . 65 ASP H . 28060 1 252 . 1 1 58 58 ASP C C 13 178.475 0.000 . 1 . . . . . 65 ASP C . 28060 1 253 . 1 1 58 58 ASP CA C 13 57.083 0.037 . 1 . . . . . 65 ASP CA . 28060 1 254 . 1 1 58 58 ASP CB C 13 39.094 0.017 . 1 . . . . . 65 ASP CB . 28060 1 255 . 1 1 58 58 ASP N N 15 118.141 0.009 . 1 . . . . . 65 ASP N . 28060 1 256 . 1 1 59 59 LEU H H 1 7.599 0.006 . 1 . . . . . 66 LEU H . 28060 1 257 . 1 1 59 59 LEU C C 13 180.634 0.000 . 1 . . . . . 66 LEU C . 28060 1 258 . 1 1 59 59 LEU CA C 13 57.441 0.006 . 1 . . . . . 66 LEU CA . 28060 1 259 . 1 1 59 59 LEU CB C 13 41.667 0.000 . 1 . . . . . 66 LEU CB . 28060 1 260 . 1 1 59 59 LEU N N 15 120.696 0.024 . 1 . . . . . 66 LEU N . 28060 1 261 . 1 1 60 60 ILE H H 1 7.843 0.010 . 1 . . . . . 67 ILE H . 28060 1 262 . 1 1 60 60 ILE C C 13 177.361 0.000 . 1 . . . . . 67 ILE C . 28060 1 263 . 1 1 60 60 ILE CA C 13 66.097 0.001 . 1 . . . . . 67 ILE CA . 28060 1 264 . 1 1 60 60 ILE CB C 13 38.361 0.007 . 1 . . . . . 67 ILE CB . 28060 1 265 . 1 1 60 60 ILE N N 15 121.945 0.038 . 1 . . . . . 67 ILE N . 28060 1 266 . 1 1 61 61 GLN H H 1 8.341 0.014 . 1 . . . . . 68 GLN H . 28060 1 267 . 1 1 61 61 GLN C C 13 179.445 0.000 . 1 . . . . . 68 GLN C . 28060 1 268 . 1 1 61 61 GLN CA C 13 59.232 0.005 . 1 . . . . . 68 GLN CA . 28060 1 269 . 1 1 61 61 GLN CB C 13 27.880 0.001 . 1 . . . . . 68 GLN CB . 28060 1 270 . 1 1 61 61 GLN N N 15 118.831 0.014 . 1 . . . . . 68 GLN N . 28060 1 271 . 1 1 62 62 GLN H H 1 7.919 0.007 . 1 . . . . . 69 GLN H . 28060 1 272 . 1 1 62 62 GLN C C 13 178.445 0.000 . 1 . . . . . 69 GLN C . 28060 1 273 . 1 1 62 62 GLN CA C 13 58.801 0.037 . 1 . . . . . 69 GLN CA . 28060 1 274 . 1 1 62 62 GLN CB C 13 28.730 0.038 . 1 . . . . . 69 GLN CB . 28060 1 275 . 1 1 62 62 GLN N N 15 118.396 0.023 . 1 . . . . . 69 GLN N . 28060 1 276 . 1 1 63 63 TYR H H 1 8.037 0.001 . 1 . . . . . 70 TYR H . 28060 1 277 . 1 1 63 63 TYR C C 13 178.986 0.000 . 1 . . . . . 70 TYR C . 28060 1 278 . 1 1 63 63 TYR CA C 13 61.771 0.032 . 1 . . . . . 70 TYR CA . 28060 1 279 . 1 1 63 63 TYR CB C 13 38.429 0.008 . 1 . . . . . 70 TYR CB . 28060 1 280 . 1 1 63 63 TYR N N 15 121.894 0.013 . 1 . . . . . 70 TYR N . 28060 1 281 . 1 1 64 64 GLU H H 1 8.881 0.003 . 1 . . . . . 71 GLU H . 28060 1 282 . 1 1 64 64 GLU C C 13 179.191 0.000 . 1 . . . . . 71 GLU C . 28060 1 283 . 1 1 64 64 GLU CA C 13 58.860 0.046 . 1 . . . . . 71 GLU CA . 28060 1 284 . 1 1 64 64 GLU CB C 13 29.075 0.000 . 1 . . . . . 71 GLU CB . 28060 1 285 . 1 1 64 64 GLU N N 15 119.651 0.021 . 1 . . . . . 71 GLU N . 28060 1 286 . 1 1 65 65 ALA H H 1 7.951 0.007 . 1 . . . . . 72 ALA H . 28060 1 287 . 1 1 65 65 ALA C C 13 178.895 0.000 . 1 . . . . . 72 ALA C . 28060 1 288 . 1 1 65 65 ALA CA C 13 54.154 0.018 . 1 . . . . . 72 ALA CA . 28060 1 289 . 1 1 65 65 ALA CB C 13 18.335 0.000 . 1 . . . . . 72 ALA CB . 28060 1 290 . 1 1 65 65 ALA N N 15 119.944 0.014 . 1 . . . . . 72 ALA N . 28060 1 291 . 1 1 66 66 SER H H 1 7.469 0.003 . 1 . . . . . 73 SER H . 28060 1 292 . 1 1 66 66 SER C C 13 174.230 0.000 . 1 . . . . . 73 SER C . 28060 1 293 . 1 1 66 66 SER CA C 13 58.877 0.038 . 1 . . . . . 73 SER CA . 28060 1 294 . 1 1 66 66 SER CB C 13 64.097 0.035 . 1 . . . . . 73 SER CB . 28060 1 295 . 1 1 66 66 SER N N 15 112.066 0.017 . 1 . . . . . 73 SER N . 28060 1 296 . 1 1 67 67 ARG H H 1 7.284 0.002 . 1 . . . . . 74 ARG H . 28060 1 297 . 1 1 67 67 ARG C C 13 176.020 0.000 . 1 . . . . . 74 ARG C . 28060 1 298 . 1 1 67 67 ARG CA C 13 56.437 0.014 . 1 . . . . . 74 ARG CA . 28060 1 299 . 1 1 67 67 ARG CB C 13 30.595 0.016 . 1 . . . . . 74 ARG CB . 28060 1 300 . 1 1 67 67 ARG N N 15 122.396 0.007 . 1 . . . . . 74 ARG N . 28060 1 301 . 1 1 68 68 LYS H H 1 8.179 0.002 . 1 . . . . . 75 LYS H . 28060 1 302 . 1 1 68 68 LYS C C 13 175.266 0.000 . 1 . . . . . 75 LYS C . 28060 1 303 . 1 1 68 68 LYS CA C 13 55.768 0.000 . 1 . . . . . 75 LYS CA . 28060 1 304 . 1 1 68 68 LYS CB C 13 33.293 0.000 . 1 . . . . . 75 LYS CB . 28060 1 305 . 1 1 68 68 LYS N N 15 122.590 0.010 . 1 . . . . . 75 LYS N . 28060 1 306 . 1 1 69 69 ASP H H 1 7.973 0.003 . 1 . . . . . 76 ASP H . 28060 1 307 . 1 1 69 69 ASP CA C 13 55.769 0.023 . 1 . . . . . 76 ASP CA . 28060 1 308 . 1 1 69 69 ASP CB C 13 42.133 0.000 . 1 . . . . . 76 ASP CB . 28060 1 309 . 1 1 69 69 ASP N N 15 126.856 0.014 . 1 . . . . . 76 ASP N . 28060 1 stop_ save_