data_52141 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52141 _Entry.Title ; Backbone 1H, 13C,and 15N chemical shift assignments for human SERF2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-09-19 _Entry.Accession_date 2023-09-19 _Entry.Last_release_date 2023-09-20 _Entry.Original_release_date 2023-09-20 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _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 1 _Entry.Generated_software_label $software_1 _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 Bikash Sahoo . R. . 0000-0002-3683-1178 52141 2 Vivekanandan Subramanian . . . 0000-0003-4338-6153 52141 3 James Bardwell . . . 0000-0003-1683-1944 52141 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52141 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 150 52141 '15N chemical shifts' 50 52141 '1H chemical shifts' 278 52141 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 . . 2024-03-11 . original BMRB . 52141 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52141 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38466543 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone 1H, 13C, and 15N chemical shift assignments for human SERF2 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _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 2024 _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 Bikash Sahoo B. R. . . 52141 1 2 Vivekanandan Subramanian . . . . 52141 1 3 James Bardwell . . . . 52141 1 stop_ save_ save_citations_2 _Citation.Sf_category citations _Citation.Sf_framecode citations_2 _Citation.Entry_ID 52141 _Citation.ID 2 _Citation.Name . _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35694898 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; SERF, a family of tiny highly conserved, highly charged proteins with enigmatic functions. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS J.' _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 Bikash Sahoo B. R. . . 52141 2 2 James Bardwell . . . . 52141 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52141 _Assembly.ID 1 _Assembly.Name 'human SERF2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 6900 _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 'human SERF2' 1 $entity_1 . . yes native yes no . . . 52141 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Identified as a cellular driver of amyloid formation' 52141 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52141 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MTRGNQRELARQKNMKKQSD SVKGKRRDDGLSAAARKQRD SEIMQQKQKKANEKKEEPK ; _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 59 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Cellular modifier of amyloid formation' 52141 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 . MET . 52141 1 2 . THR . 52141 1 3 . ARG . 52141 1 4 . GLY . 52141 1 5 . ASN . 52141 1 6 . GLN . 52141 1 7 . ARG . 52141 1 8 . GLU . 52141 1 9 . LEU . 52141 1 10 . ALA . 52141 1 11 . ARG . 52141 1 12 . GLN . 52141 1 13 . LYS . 52141 1 14 . ASN . 52141 1 15 . MET . 52141 1 16 . LYS . 52141 1 17 . LYS . 52141 1 18 . GLN . 52141 1 19 . SER . 52141 1 20 . ASP . 52141 1 21 . SER . 52141 1 22 . VAL . 52141 1 23 . LYS . 52141 1 24 . GLY . 52141 1 25 . LYS . 52141 1 26 . ARG . 52141 1 27 . ARG . 52141 1 28 . ASP . 52141 1 29 . ASP . 52141 1 30 . GLY . 52141 1 31 . LEU . 52141 1 32 . SER . 52141 1 33 . ALA . 52141 1 34 . ALA . 52141 1 35 . ALA . 52141 1 36 . ARG . 52141 1 37 . LYS . 52141 1 38 . GLN . 52141 1 39 . ARG . 52141 1 40 . ASP . 52141 1 41 . SER . 52141 1 42 . GLU . 52141 1 43 . ILE . 52141 1 44 . MET . 52141 1 45 . GLN . 52141 1 46 . GLN . 52141 1 47 . LYS . 52141 1 48 . GLN . 52141 1 49 . LYS . 52141 1 50 . LYS . 52141 1 51 . ALA . 52141 1 52 . ASN . 52141 1 53 . GLU . 52141 1 54 . LYS . 52141 1 55 . LYS . 52141 1 56 . GLU . 52141 1 57 . GLU . 52141 1 58 . PRO . 52141 1 59 . LYS . 52141 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 52141 1 . THR 2 2 52141 1 . ARG 3 3 52141 1 . GLY 4 4 52141 1 . ASN 5 5 52141 1 . GLN 6 6 52141 1 . ARG 7 7 52141 1 . GLU 8 8 52141 1 . LEU 9 9 52141 1 . ALA 10 10 52141 1 . ARG 11 11 52141 1 . GLN 12 12 52141 1 . LYS 13 13 52141 1 . ASN 14 14 52141 1 . MET 15 15 52141 1 . LYS 16 16 52141 1 . LYS 17 17 52141 1 . GLN 18 18 52141 1 . SER 19 19 52141 1 . ASP 20 20 52141 1 . SER 21 21 52141 1 . VAL 22 22 52141 1 . LYS 23 23 52141 1 . GLY 24 24 52141 1 . LYS 25 25 52141 1 . ARG 26 26 52141 1 . ARG 27 27 52141 1 . ASP 28 28 52141 1 . ASP 29 29 52141 1 . GLY 30 30 52141 1 . LEU 31 31 52141 1 . SER 32 32 52141 1 . ALA 33 33 52141 1 . ALA 34 34 52141 1 . ALA 35 35 52141 1 . ARG 36 36 52141 1 . LYS 37 37 52141 1 . GLN 38 38 52141 1 . ARG 39 39 52141 1 . ASP 40 40 52141 1 . SER 41 41 52141 1 . GLU 42 42 52141 1 . ILE 43 43 52141 1 . MET 44 44 52141 1 . GLN 45 45 52141 1 . GLN 46 46 52141 1 . LYS 47 47 52141 1 . GLN 48 48 52141 1 . LYS 49 49 52141 1 . LYS 50 50 52141 1 . ALA 51 51 52141 1 . ASN 52 52 52141 1 . GLU 53 53 52141 1 . LYS 54 54 52141 1 . LYS 55 55 52141 1 . GLU 56 56 52141 1 . GLU 57 57 52141 1 . PRO 58 58 52141 1 . LYS 59 59 52141 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52141 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli BL21 . . . . . . . . . . . . 52141 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52141 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . plasmid . . pET28 . . . 52141 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52141 _Sample.ID 1 _Sample.Name hSERF2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Human SERF2' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1.2 . . mM . . . . 52141 1 2 'd3-Sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 52141 1 3 KCl 'natural abundance' . . . . . . 20 . . mM . . . . 52141 1 4 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 52141 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 52141 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'd3-Sodium acetate buffer, pH 5.5' _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' 0.1 . M 52141 1 pH 5.5 . pH 52141 1 pressure 1 . atm 52141 1 temperature 277.1 . K 52141 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52141 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version 1.470 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52141 1 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 52141 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 800 MHz Neo' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52141 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52141 1 2 '3D CBCANH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52141 1 3 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52141 1 4 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52141 1 5 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52141 1 6 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52141 1 7 '3D 1H-15N NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52141 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 52141 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 external indirect . . . . . . 52141 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 52141 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect . . . . . . 52141 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 52141 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name hSERF2.prot _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-15N HSQC' . . . 52141 1 2 '3D CBCANH' . . . 52141 1 3 '3D CBCA(CO)NH' . . . 52141 1 4 '3D HNCA' . . . 52141 1 5 '3D HNCO' . . . 52141 1 6 '3D HN(CA)CO' . . . 52141 1 7 '3D 1H-15N NOESY' . . . 52141 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52141 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 MET H H 1 8.307 0.018 . 1 . . . . . 1 M H . 52141 1 2 . 1 . 1 1 1 MET HA H 1 4.089 0.146 . 1 . . . . . 1 M HA . 52141 1 3 . 1 . 1 1 1 MET HB2 H 1 1.512 0.187 . 1 . . . . . 1 M HB2 . 52141 1 4 . 1 . 1 1 1 MET HB3 H 1 1.639 0.128 . 1 . . . . . 1 M HB3 . 52141 1 5 . 1 . 1 1 1 MET HG2 H 1 2.694 0.175 . 2 . . . . . 1 M QG . 52141 1 6 . 1 . 1 1 1 MET HG3 H 1 2.694 0.175 . 2 . . . . . 1 M QG . 52141 1 7 . 1 . 1 1 1 MET C C 13 173.428 0.000 . 1 . . . . . 1 M C . 52141 1 8 . 1 . 1 1 1 MET CA C 13 52.663 0.000 . 1 . . . . . 1 M CA . 52141 1 9 . 1 . 1 1 1 MET CB C 13 29.990 0.000 . 1 . . . . . 1 M CB . 52141 1 10 . 1 . 1 1 1 MET N N 15 124.287 0.135 . 1 . . . . . 1 M N . 52141 1 11 . 1 . 1 2 2 THR H H 1 8.116 0.007 . 1 . . . . . 2 T H . 52141 1 12 . 1 . 1 2 2 THR HA H 1 4.005 0.000 . 1 . . . . . 2 T HA . 52141 1 13 . 1 . 1 2 2 THR HB H 1 3.891 0.000 . 1 . . . . . 2 T HB . 52141 1 14 . 1 . 1 2 2 THR HG21 H 1 0.881 0.002 . 1 . . . . . 2 T HG . 52141 1 15 . 1 . 1 2 2 THR HG22 H 1 0.881 0.002 . 1 . . . . . 2 T HG . 52141 1 16 . 1 . 1 2 2 THR HG23 H 1 0.881 0.002 . 1 . . . . . 2 T HG . 52141 1 17 . 1 . 1 2 2 THR C C 13 173.586 0.000 . 1 . . . . . 2 T C . 52141 1 18 . 1 . 1 2 2 THR CA C 13 59.007 0.000 . 1 . . . . . 2 T CA . 52141 1 19 . 1 . 1 2 2 THR CB C 13 66.965 0.000 . 1 . . . . . 2 T CB . 52141 1 20 . 1 . 1 2 2 THR N N 15 117.304 0.093 . 1 . . . . . 2 T N . 52141 1 21 . 1 . 1 3 3 ARG H H 1 8.291 0.023 . 1 . . . . . 3 R H . 52141 1 22 . 1 . 1 3 3 ARG HA H 1 4.014 0.003 . 1 . . . . . 3 R HA . 52141 1 23 . 1 . 1 3 3 ARG HB2 H 1 1.461 0.002 . 1 . . . . . 3 R HB2 . 52141 1 24 . 1 . 1 3 3 ARG HB3 H 1 1.545 0.001 . 1 . . . . . 3 R HB3 . 52141 1 25 . 1 . 1 3 3 ARG HG2 H 1 1.306 0.007 . 1 . . . . . 3 R HG2 . 52141 1 26 . 1 . 1 3 3 ARG HG3 H 1 1.345 0.002 . 1 . . . . . 3 R HG3 . 52141 1 27 . 1 . 1 3 3 ARG HD2 H 1 3.740 0.150 . 2 . . . . . 3 R QD . 52141 1 28 . 1 . 1 3 3 ARG HD3 H 1 3.740 0.150 . 2 . . . . . 3 R QD . 52141 1 29 . 1 . 1 3 3 ARG C C 13 174.087 0.000 . 1 . . . . . 3 R C . 52141 1 30 . 1 . 1 3 3 ARG CA C 13 53.478 0.000 . 1 . . . . . 3 R CA . 52141 1 31 . 1 . 1 3 3 ARG CB C 13 27.691 0.000 . 1 . . . . . 3 R CB . 52141 1 32 . 1 . 1 3 3 ARG N N 15 124.164 0.002 . 1 . . . . . 3 R N . 52141 1 33 . 1 . 1 4 4 GLY H H 1 8.250 0.000 . 1 . . . . . 4 G H . 52141 1 34 . 1 . 1 4 4 GLY HA2 H 1 3.624 0.002 . 1 . . . . . 4 G HA . 52141 1 35 . 1 . 1 4 4 GLY HA3 H 1 3.624 0.002 . 1 . . . . . 4 G HA . 52141 1 36 . 1 . 1 4 4 GLY C C 13 171.177 0.000 . 1 . . . . . 4 G C . 52141 1 37 . 1 . 1 4 4 GLY CA C 13 42.399 0.000 . 1 . . . . . 4 G CA . 52141 1 38 . 1 . 1 4 4 GLY N N 15 110.360 0.035 . 1 . . . . . 4 G N . 52141 1 39 . 1 . 1 5 5 ASN H H 1 8.098 0.002 . 1 . . . . . 5 N H . 52141 1 40 . 1 . 1 5 5 ASN HA H 1 4.375 0.030 . 1 . . . . . 5 N HA . 52141 1 41 . 1 . 1 5 5 ASN HB2 H 1 2.455 0.000 . 1 . . . . . 5 N HB2 . 52141 1 42 . 1 . 1 5 5 ASN HB3 H 1 2.542 0.001 . 1 . . . . . 5 N HB3 . 52141 1 43 . 1 . 1 5 5 ASN C C 13 172.609 0.000 . 1 . . . . . 5 N C . 52141 1 44 . 1 . 1 5 5 ASN CA C 13 50.412 0.000 . 1 . . . . . 5 N CA . 52141 1 45 . 1 . 1 5 5 ASN CB C 13 35.560 0.000 . 1 . . . . . 5 N CB . 52141 1 46 . 1 . 1 5 5 ASN N N 15 119.499 0.006 . 1 . . . . . 5 N N . 52141 1 47 . 1 . 1 6 6 GLN H H 1 7.770 0.003 . 1 . . . . . 6 Q H . 52141 1 48 . 1 . 1 6 6 GLN HA H 1 3.893 0.000 . 1 . . . . . 6 Q HA . 52141 1 49 . 1 . 1 6 6 GLN HB2 H 1 1.672 0.001 . 1 . . . . . 6 Q HB2 . 52141 1 50 . 1 . 1 6 6 GLN HB3 H 1 1.717 0.002 . 1 . . . . . 6 Q HB3 . 52141 1 51 . 1 . 1 6 6 GLN HG2 H 1 1.918 0.002 . 1 . . . . . 6 Q HG2 . 52141 1 52 . 1 . 1 6 6 GLN HG3 H 1 2.034 0.000 . 1 . . . . . 6 Q HG3 . 52141 1 53 . 1 . 1 6 6 GLN C C 13 173.530 0.000 . 1 . . . . . 6 Q C . 52141 1 54 . 1 . 1 6 6 GLN CA C 13 53.870 0.000 . 1 . . . . . 6 Q CA . 52141 1 55 . 1 . 1 6 6 GLN CB C 13 27.185 0.000 . 1 . . . . . 6 Q CB . 52141 1 56 . 1 . 1 6 6 GLN N N 15 121.483 0.054 . 1 . . . . . 6 Q N . 52141 1 57 . 1 . 1 7 7 ARG H H 1 7.990 0.002 . 1 . . . . . 7 R H . 52141 1 58 . 1 . 1 7 7 ARG HA H 1 3.954 0.002 . 1 . . . . . 7 R HA . 52141 1 59 . 1 . 1 7 7 ARG HB2 H 1 1.499 0.002 . 1 . . . . . 7 R HB2 . 52141 1 60 . 1 . 1 7 7 ARG HB3 H 1 1.446 0.001 . 1 . . . . . 7 R HB3 . 52141 1 61 . 1 . 1 7 7 ARG HG2 H 1 1.099 0.002 . 2 . . . . . 7 R QG . 52141 1 62 . 1 . 1 7 7 ARG HG3 H 1 1.099 0.002 . 2 . . . . . 7 R QG . 52141 1 63 . 1 . 1 7 7 ARG HD2 H 1 2.648 0.000 . 2 . . . . . 7 R QD . 52141 1 64 . 1 . 1 7 7 ARG HD3 H 1 2.648 0.000 . 2 . . . . . 7 R QD . 52141 1 65 . 1 . 1 7 7 ARG CA C 13 53.394 0.000 . 1 . . . . . 7 R CA . 52141 1 66 . 1 . 1 7 7 ARG CB C 13 29.856 0.000 . 1 . . . . . 7 R CB . 52141 1 67 . 1 . 1 7 7 ARG N N 15 122.977 0.099 . 1 . . . . . 7 R N . 52141 1 68 . 1 . 1 8 8 GLU C C 13 174.706 0.000 . 1 . . . . . 8 E C . 52141 1 69 . 1 . 1 9 9 LEU H H 1 7.893 0.003 . 1 . . . . . 9 L H . 52141 1 70 . 1 . 1 9 9 LEU HA H 1 3.868 0.004 . 1 . . . . . 9 L HA . 52141 1 71 . 1 . 1 9 9 LEU HD11 H 1 1.360 0.002 . 2 . . . . . 9 L QQD . 52141 1 72 . 1 . 1 9 9 LEU HD12 H 1 1.360 0.002 . 2 . . . . . 9 L QQD . 52141 1 73 . 1 . 1 9 9 LEU HD13 H 1 1.360 0.002 . 2 . . . . . 9 L QQD . 52141 1 74 . 1 . 1 9 9 LEU HD21 H 1 1.360 0.002 . 2 . . . . . 9 L QQD . 52141 1 75 . 1 . 1 9 9 LEU HD22 H 1 1.360 0.002 . 2 . . . . . 9 L QQD . 52141 1 76 . 1 . 1 9 9 LEU HD23 H 1 1.360 0.002 . 2 . . . . . 9 L QQD . 52141 1 77 . 1 . 1 9 9 LEU C C 13 173.298 0.000 . 1 . . . . . 9 L C . 52141 1 78 . 1 . 1 9 9 LEU CA C 13 54.042 0.000 . 1 . . . . . 9 L CA . 52141 1 79 . 1 . 1 9 9 LEU CB C 13 38.891 0.000 . 1 . . . . . 9 L CB . 52141 1 80 . 1 . 1 9 9 LEU N N 15 121.780 0.002 . 1 . . . . . 9 L N . 52141 1 81 . 1 . 1 10 10 ALA H H 1 7.781 0.002 . 1 . . . . . 10 A H . 52141 1 82 . 1 . 1 10 10 ALA HA H 1 3.854 0.000 . 1 . . . . . 10 A HA . 52141 1 83 . 1 . 1 10 10 ALA HB1 H 1 1.095 0.000 . 1 . . . . . 10 A QB . 52141 1 84 . 1 . 1 10 10 ALA HB2 H 1 1.095 0.000 . 1 . . . . . 10 A QB . 52141 1 85 . 1 . 1 10 10 ALA HB3 H 1 1.095 0.000 . 1 . . . . . 10 A QB . 52141 1 86 . 1 . 1 10 10 ALA C C 13 175.822 0.000 . 1 . . . . . 10 A C . 52141 1 87 . 1 . 1 10 10 ALA CA C 13 50.688 0.000 . 1 . . . . . 10 A CA . 52141 1 88 . 1 . 1 10 10 ALA CB C 13 15.475 0.000 . 1 . . . . . 10 A CB . 52141 1 89 . 1 . 1 10 10 ALA N N 15 123.400 0.022 . 1 . . . . . 10 A N . 52141 1 90 . 1 . 1 11 11 ARG H H 1 7.764 0.001 . 1 . . . . . 11 R H . 52141 1 91 . 1 . 1 11 11 ARG HA H 1 3.864 0.000 . 1 . . . . . 11 R HA . 52141 1 92 . 1 . 1 11 11 ARG HB2 H 1 1.513 0.000 . 1 . . . . . 11 R HB2 . 52141 1 93 . 1 . 1 11 11 ARG HB3 H 1 1.591 0.002 . 1 . . . . . 11 R HB3 . 52141 1 94 . 1 . 1 11 11 ARG HG2 H 1 1.262 0.002 . 1 . . . . . 11 R HG2 . 52141 1 95 . 1 . 1 11 11 ARG HG3 H 1 1.376 0.000 . 1 . . . . . 11 R HG3 . 52141 1 96 . 1 . 1 11 11 ARG HD2 H 1 2.873 0.006 . 2 . . . . . 11 R QD . 52141 1 97 . 1 . 1 11 11 ARG HD3 H 1 2.873 0.006 . 2 . . . . . 11 R QD . 52141 1 98 . 1 . 1 11 11 ARG C C 13 174.749 0.000 . 1 . . . . . 11 R C . 52141 1 99 . 1 . 1 11 11 ARG CA C 13 54.512 0.000 . 1 . . . . . 11 R CA . 52141 1 100 . 1 . 1 11 11 ARG CB C 13 27.376 0.000 . 1 . . . . . 11 R CB . 52141 1 101 . 1 . 1 11 11 ARG N N 15 120.179 0.002 . 1 . . . . . 11 R N . 52141 1 102 . 1 . 1 12 12 GLN H H 1 7.943 0.002 . 1 . . . . . 12 Q H . 52141 1 103 . 1 . 1 12 12 GLN HA H 1 3.858 0.000 . 1 . . . . . 12 Q HA . 52141 1 104 . 1 . 1 12 12 GLN HB2 H 1 1.729 0.000 . 1 . . . . . 12 Q HB2 . 52141 1 105 . 1 . 1 12 12 GLN HB3 H 1 1.805 0.004 . 1 . . . . . 12 Q HB3 . 52141 1 106 . 1 . 1 12 12 GLN HG2 H 1 2.147 0.000 . 2 . . . . . 12 Q QG . 52141 1 107 . 1 . 1 12 12 GLN HG3 H 1 2.147 0.000 . 2 . . . . . 12 Q QG . 52141 1 108 . 1 . 1 12 12 GLN C C 13 173.881 0.000 . 1 . . . . . 12 Q C . 52141 1 109 . 1 . 1 12 12 GLN CA C 13 54.002 0.000 . 1 . . . . . 12 Q CA . 52141 1 110 . 1 . 1 12 12 GLN CB C 13 25.859 0.000 . 1 . . . . . 12 Q CB . 52141 1 111 . 1 . 1 12 12 GLN N N 15 120.392 0.040 . 1 . . . . . 12 Q N . 52141 1 112 . 1 . 1 13 13 LYS H H 1 7.848 0.004 . 1 . . . . . 13 K H . 52141 1 113 . 1 . 1 13 13 LYS HA H 1 3.857 0.005 . 1 . . . . . 13 K HA . 52141 1 114 . 1 . 1 13 13 LYS HG2 H 1 1.093 0.001 . 1 . . . . . 13 K HG2 . 52141 1 115 . 1 . 1 13 13 LYS HG3 H 1 1.176 0.003 . 1 . . . . . 13 K HG3 . 52141 1 116 . 1 . 1 13 13 LYS HD2 H 1 1.352 0.000 . 2 . . . . . 13 K QD . 52141 1 117 . 1 . 1 13 13 LYS HD3 H 1 1.352 0.000 . 2 . . . . . 13 K QD . 52141 1 118 . 1 . 1 13 13 LYS C C 13 174.169 0.000 . 1 . . . . . 13 K C . 52141 1 119 . 1 . 1 13 13 LYS CA C 13 54.619 0.000 . 1 . . . . . 13 K CA . 52141 1 120 . 1 . 1 13 13 LYS CB C 13 29.796 0.000 . 1 . . . . . 13 K CB . 52141 1 121 . 1 . 1 13 13 LYS N N 15 122.140 0.006 . 1 . . . . . 13 K N . 52141 1 122 . 1 . 1 14 14 ASN H H 1 8.009 0.003 . 1 . . . . . 14 N H . 52141 1 123 . 1 . 1 14 14 ASN HA H 1 4.319 0.002 . 1 . . . . . 14 N HA . 52141 1 124 . 1 . 1 14 14 ASN HB2 H 1 2.452 0.001 . 1 . . . . . 14 N HB2 . 52141 1 125 . 1 . 1 14 14 ASN HB3 H 1 2.531 0.003 . 1 . . . . . 14 N HB3 . 52141 1 126 . 1 . 1 14 14 ASN C C 13 172.779 0.000 . 1 . . . . . 14 N C . 52141 1 127 . 1 . 1 14 14 ASN CA C 13 50.856 0.000 . 1 . . . . . 14 N CA . 52141 1 128 . 1 . 1 14 14 ASN CB C 13 35.580 0.000 . 1 . . . . . 14 N CB . 52141 1 129 . 1 . 1 14 14 ASN N N 15 118.975 0.002 . 1 . . . . . 14 N N . 52141 1 130 . 1 . 1 15 15 MET H H 1 7.897 0.002 . 1 . . . . . 15 M H . 52141 1 131 . 1 . 1 15 15 MET HA H 1 4.084 0.000 . 1 . . . . . 15 M HA . 52141 1 132 . 1 . 1 15 15 MET HB2 H 1 1.711 0.002 . 1 . . . . . 15 M HB2 . 52141 1 133 . 1 . 1 15 15 MET HB3 H 1 1.785 0.000 . 1 . . . . . 15 M HB3 . 52141 1 134 . 1 . 1 15 15 MET HG2 H 1 2.227 0.000 . 1 . . . . . 15 M HG2 . 52141 1 135 . 1 . 1 15 15 MET HG3 H 1 2.321 0.004 . 1 . . . . . 15 M HG3 . 52141 1 136 . 1 . 1 15 15 MET C C 13 173.787 0.000 . 1 . . . . . 15 M C . 52141 1 137 . 1 . 1 15 15 MET CA C 13 53.072 0.000 . 1 . . . . . 15 M CA . 52141 1 138 . 1 . 1 15 15 MET CB C 13 29.631 0.000 . 1 . . . . . 15 M CB . 52141 1 139 . 1 . 1 15 15 MET N N 15 121.188 0.044 . 1 . . . . . 15 M N . 52141 1 140 . 1 . 1 16 16 LYS H H 1 7.913 0.003 . 1 . . . . . 16 K H . 52141 1 141 . 1 . 1 16 16 LYS HA H 1 3.926 0.000 . 1 . . . . . 16 K HA . 52141 1 142 . 1 . 1 16 16 LYS CA C 13 53.623 0.000 . 1 . . . . . 16 K CA . 52141 1 143 . 1 . 1 16 16 LYS CB C 13 29.692 0.000 . 1 . . . . . 16 K CB . 52141 1 144 . 1 . 1 16 16 LYS N N 15 122.813 0.007 . 1 . . . . . 16 K N . 52141 1 145 . 1 . 1 18 18 GLN HA H 1 3.977 0.000 . 1 . . . . . 18 Q HA . 52141 1 146 . 1 . 1 18 18 GLN HB2 H 1 1.705 0.000 . 1 . . . . . 18 Q HB2 . 52141 1 147 . 1 . 1 18 18 GLN HB3 H 1 1.793 0.000 . 1 . . . . . 18 Q HB3 . 52141 1 148 . 1 . 1 18 18 GLN HG2 H 1 2.076 0.000 . 2 . . . . . 18 Q QG . 52141 1 149 . 1 . 1 18 18 GLN HG3 H 1 2.076 0.000 . 2 . . . . . 18 Q QG . 52141 1 150 . 1 . 1 18 18 GLN C C 13 173.589 0.000 . 1 . . . . . 18 Q C . 52141 1 151 . 1 . 1 18 18 GLN CA C 13 53.326 0.000 . 1 . . . . . 18 Q CA . 52141 1 152 . 1 . 1 18 18 GLN CB C 13 26.321 0.000 . 1 . . . . . 18 Q CB . 52141 1 153 . 1 . 1 19 19 SER H H 1 8.173 0.001 . 1 . . . . . 19 S H . 52141 1 154 . 1 . 1 19 19 SER HA H 1 4.061 0.006 . 1 . . . . . 19 S HA . 52141 1 155 . 1 . 1 19 19 SER HB2 H 1 3.535 0.001 . 1 . . . . . 19 S HB2 . 52141 1 156 . 1 . 1 19 19 SER HB3 H 1 3.602 0.001 . 1 . . . . . 19 S HB3 . 52141 1 157 . 1 . 1 19 19 SER C C 13 171.791 0.000 . 1 . . . . . 19 S C . 52141 1 158 . 1 . 1 19 19 SER CA C 13 55.931 0.000 . 1 . . . . . 19 S CA . 52141 1 159 . 1 . 1 19 19 SER CB C 13 60.591 0.000 . 1 . . . . . 19 S CB . 52141 1 160 . 1 . 1 19 19 SER N N 15 117.655 0.006 . 1 . . . . . 19 S N . 52141 1 161 . 1 . 1 20 20 ASP H H 1 8.162 0.004 . 1 . . . . . 20 D H . 52141 1 162 . 1 . 1 20 20 ASP HA H 1 4.291 0.002 . 1 . . . . . 20 D HA . 52141 1 163 . 1 . 1 20 20 ASP HB2 H 1 2.365 0.001 . 2 . . . . . 20 D QB . 52141 1 164 . 1 . 1 20 20 ASP HB3 H 1 2.365 0.001 . 2 . . . . . 20 D QB . 52141 1 165 . 1 . 1 20 20 ASP C C 13 173.757 0.000 . 1 . . . . . 20 D C . 52141 1 166 . 1 . 1 20 20 ASP CA C 13 51.831 0.000 . 1 . . . . . 20 D CA . 52141 1 167 . 1 . 1 20 20 ASP CB C 13 37.993 0.000 . 1 . . . . . 20 D CB . 52141 1 168 . 1 . 1 20 20 ASP N N 15 123.219 0.011 . 1 . . . . . 20 D N . 52141 1 169 . 1 . 1 21 21 SER H H 1 7.929 0.003 . 1 . . . . . 21 S H . 52141 1 170 . 1 . 1 21 21 SER HA H 1 4.087 0.002 . 1 . . . . . 21 S HA . 52141 1 171 . 1 . 1 21 21 SER HB2 H 1 3.556 0.000 . 2 . . . . . 21 S QB . 52141 1 172 . 1 . 1 21 21 SER HB3 H 1 3.556 0.000 . 2 . . . . . 21 S QB . 52141 1 173 . 1 . 1 21 21 SER C C 13 171.893 0.000 . 1 . . . . . 21 S C . 52141 1 174 . 1 . 1 21 21 SER CA C 13 55.881 0.000 . 1 . . . . . 21 S CA . 52141 1 175 . 1 . 1 21 21 SER CB C 13 60.762 0.000 . 1 . . . . . 21 S CB . 52141 1 176 . 1 . 1 21 21 SER N N 15 116.434 0.024 . 1 . . . . . 21 S N . 52141 1 177 . 1 . 1 22 22 VAL H H 1 7.796 0.002 . 1 . . . . . 22 V H . 52141 1 178 . 1 . 1 22 22 VAL HA H 1 3.853 0.108 . 1 . . . . . 22 V HA . 52141 1 179 . 1 . 1 22 22 VAL HB H 1 1.783 0.000 . 1 . . . . . 22 V HB . 52141 1 180 . 1 . 1 22 22 VAL HG11 H 1 0.614 0.007 . 2 . . . . . 22 V QQG . 52141 1 181 . 1 . 1 22 22 VAL HG12 H 1 0.614 0.007 . 2 . . . . . 22 V QQG . 52141 1 182 . 1 . 1 22 22 VAL HG13 H 1 0.614 0.007 . 2 . . . . . 22 V QQG . 52141 1 183 . 1 . 1 22 22 VAL HG21 H 1 0.614 0.007 . 2 . . . . . 22 V QQG . 52141 1 184 . 1 . 1 22 22 VAL HG22 H 1 0.614 0.007 . 2 . . . . . 22 V QQG . 52141 1 185 . 1 . 1 22 22 VAL HG23 H 1 0.614 0.007 . 2 . . . . . 22 V QQG . 52141 1 186 . 1 . 1 22 22 VAL C C 13 173.634 0.000 . 1 . . . . . 22 V C . 52141 1 187 . 1 . 1 22 22 VAL CA C 13 59.883 0.000 . 1 . . . . . 22 V CA . 52141 1 188 . 1 . 1 22 22 VAL CB C 13 29.357 0.000 . 1 . . . . . 22 V CB . 52141 1 189 . 1 . 1 22 22 VAL N N 15 122.351 0.002 . 1 . . . . . 22 V N . 52141 1 190 . 1 . 1 23 23 LYS H H 1 8.089 0.003 . 1 . . . . . 23 K H . 52141 1 191 . 1 . 1 23 23 LYS HA H 1 3.936 0.000 . 1 . . . . . 23 K HA . 52141 1 192 . 1 . 1 23 23 LYS HB2 H 1 1.448 0.000 . 1 . . . . . 23 K HB2 . 52141 1 193 . 1 . 1 23 23 LYS HB3 H 1 1.510 0.000 . 1 . . . . . 23 K HB3 . 52141 1 194 . 1 . 1 23 23 LYS HG2 H 1 1.088 0.000 . 1 . . . . . 23 K HG1 . 52141 1 195 . 1 . 1 23 23 LYS HG3 H 1 1.161 0.001 . 1 . . . . . 23 K HG3 . 52141 1 196 . 1 . 1 23 23 LYS HD2 H 1 1.332 0.000 . 2 . . . . . 23 K QD . 52141 1 197 . 1 . 1 23 23 LYS HD3 H 1 1.332 0.000 . 2 . . . . . 23 K QD . 52141 1 198 . 1 . 1 23 23 LYS C C 13 174.376 0.000 . 1 . . . . . 23 K C . 52141 1 199 . 1 . 1 23 23 LYS CA C 13 53.839 0.000 . 1 . . . . . 23 K CA . 52141 1 200 . 1 . 1 23 23 LYS CB C 13 29.795 0.000 . 1 . . . . . 23 K CB . 52141 1 201 . 1 . 1 23 23 LYS N N 15 125.301 0.054 . 1 . . . . . 23 K N . 52141 1 202 . 1 . 1 24 24 GLY H H 1 8.111 0.000 . 1 . . . . . 24 G H . 52141 1 203 . 1 . 1 24 24 GLY HA2 H 1 3.593 0.007 . 1 . . . . . 24 G HA . 52141 1 204 . 1 . 1 24 24 GLY HA3 H 1 3.593 0.007 . 1 . . . . . 24 G HA . 52141 1 205 . 1 . 1 24 24 GLY C C 13 175.112 0.000 . 1 . . . . . 24 G C . 52141 1 206 . 1 . 1 24 24 GLY CA C 13 42.106 0.000 . 1 . . . . . 24 G CA . 52141 1 207 . 1 . 1 24 24 GLY N N 15 110.324 0.041 . 1 . . . . . 24 G N . 52141 1 208 . 1 . 1 25 25 LYS H H 1 7.839 0.006 . 1 . . . . . 25 K H . 52141 1 209 . 1 . 1 25 25 LYS HA H 1 3.834 0.000 . 1 . . . . . 25 K HA . 52141 1 210 . 1 . 1 25 25 LYS C C 13 176.142 0.000 . 1 . . . . . 25 K C . 52141 1 211 . 1 . 1 25 25 LYS N N 15 120.296 0.001 . 1 . . . . . 25 K N . 52141 1 212 . 1 . 1 26 26 ARG H H 1 7.611 0.008 . 1 . . . . . 26 R H . 52141 1 213 . 1 . 1 26 26 ARG HA H 1 3.811 0.000 . 1 . . . . . 26 R HA . 52141 1 214 . 1 . 1 26 26 ARG HB2 H 1 1.212 0.000 . 1 . . . . . 26 R HB2 . 52141 1 215 . 1 . 1 26 26 ARG HB3 H 1 1.366 0.000 . 1 . . . . . 26 R HB3 . 52141 1 216 . 1 . 1 26 26 ARG HG2 H 1 1.115 0.001 . 2 . . . . . 26 R QG . 52141 1 217 . 1 . 1 26 26 ARG HG3 H 1 1.115 0.001 . 2 . . . . . 26 R QG . 52141 1 218 . 1 . 1 26 26 ARG C C 13 177.554 0.000 . 1 . . . . . 26 R C . 52141 1 219 . 1 . 1 26 26 ARG CA C 13 56.085 0.000 . 1 . . . . . 26 R CA . 52141 1 220 . 1 . 1 26 26 ARG CB C 13 27.131 0.000 . 1 . . . . . 26 R CB . 52141 1 221 . 1 . 1 26 26 ARG N N 15 120.303 0.021 . 1 . . . . . 26 R N . 52141 1 222 . 1 . 1 27 27 ARG H H 1 8.135 0.001 . 1 . . . . . 27 R H . 52141 1 223 . 1 . 1 27 27 ARG HA H 1 3.799 0.000 . 1 . . . . . 27 R HA . 52141 1 224 . 1 . 1 27 27 ARG C C 13 174.243 0.000 . 1 . . . . . 27 R C . 52141 1 225 . 1 . 1 27 27 ARG CA C 13 51.762 0.000 . 1 . . . . . 27 R CA . 52141 1 226 . 1 . 1 27 27 ARG CB C 13 27.121 0.000 . 1 . . . . . 27 R CB . 52141 1 227 . 1 . 1 27 27 ARG N N 15 121.255 0.000 . 1 . . . . . 27 R N . 52141 1 228 . 1 . 1 28 28 ASP H H 1 8.209 0.006 . 1 . . . . . 28 D H . 52141 1 229 . 1 . 1 28 28 ASP HA H 1 4.305 0.002 . 1 . . . . . 28 D HA . 52141 1 230 . 1 . 1 28 28 ASP HB2 H 1 2.325 0.000 . 1 . . . . . 28 D HB2 . 52141 1 231 . 1 . 1 28 28 ASP HB3 H 1 2.407 0.000 . 1 . . . . . 28 D HB3 . 52141 1 232 . 1 . 1 28 28 ASP C C 13 173.159 0.000 . 1 . . . . . 28 D C . 52141 1 233 . 1 . 1 28 28 ASP CA C 13 53.475 0.000 . 1 . . . . . 28 D CA . 52141 1 234 . 1 . 1 28 28 ASP CB C 13 38.120 0.000 . 1 . . . . . 28 D CB . 52141 1 235 . 1 . 1 28 28 ASP N N 15 122.573 0.046 . 1 . . . . . 28 D N . 52141 1 236 . 1 . 1 29 29 ASP H H 1 7.993 0.003 . 1 . . . . . 29 D H . 52141 1 237 . 1 . 1 29 29 ASP HA H 1 4.206 0.006 . 1 . . . . . 29 D HA . 52141 1 238 . 1 . 1 29 29 ASP HB2 H 1 2.355 0.001 . 1 . . . . . 29 D HB2 . 52141 1 239 . 1 . 1 29 29 ASP HB3 H 1 2.433 0.002 . 1 . . . . . 29 D HB3 . 52141 1 240 . 1 . 1 29 29 ASP C C 13 174.231 0.000 . 1 . . . . . 29 D C . 52141 1 241 . 1 . 1 29 29 ASP CA C 13 51.627 0.000 . 1 . . . . . 29 D CA . 52141 1 242 . 1 . 1 29 29 ASP CB C 13 37.880 0.000 . 1 . . . . . 29 D CB . 52141 1 243 . 1 . 1 29 29 ASP N N 15 121.896 0.041 . 1 . . . . . 29 D N . 52141 1 244 . 1 . 1 30 30 GLY H H 1 8.196 0.001 . 1 . . . . . 30 G H . 52141 1 245 . 1 . 1 30 30 GLY HA2 H 1 3.591 0.001 . 1 . . . . . 30 G HA . 52141 1 246 . 1 . 1 30 30 GLY HA3 H 1 3.591 0.001 . 1 . . . . . 30 G HA . 52141 1 247 . 1 . 1 30 30 GLY C C 13 171.703 0.000 . 1 . . . . . 30 G C . 52141 1 248 . 1 . 1 30 30 GLY CA C 13 42.694 0.000 . 1 . . . . . 30 G CA . 52141 1 249 . 1 . 1 30 30 GLY N N 15 109.371 0.015 . 1 . . . . . 30 G N . 52141 1 250 . 1 . 1 31 31 LEU H H 1 7.723 0.002 . 1 . . . . . 31 L H . 52141 1 251 . 1 . 1 31 31 LEU HA H 1 3.995 0.091 . 1 . . . . . 31 L HA . 52141 1 252 . 1 . 1 31 31 LEU HB2 H 1 1.192 0.013 . 2 . . . . . 31 L QB . 52141 1 253 . 1 . 1 31 31 LEU HB3 H 1 1.192 0.013 . 2 . . . . . 31 L QB . 52141 1 254 . 1 . 1 31 31 LEU HG H 1 1.388 0.002 . 1 . . . . . 31 L HG . 52141 1 255 . 1 . 1 31 31 LEU HD11 H 1 0.507 0.007 . 2 . . . . . 31 L QQD . 52141 1 256 . 1 . 1 31 31 LEU HD12 H 1 0.507 0.007 . 2 . . . . . 31 L QQD . 52141 1 257 . 1 . 1 31 31 LEU HD13 H 1 0.507 0.007 . 2 . . . . . 31 L QQD . 52141 1 258 . 1 . 1 31 31 LEU HD21 H 1 0.507 0.007 . 2 . . . . . 31 L QQD . 52141 1 259 . 1 . 1 31 31 LEU HD22 H 1 0.507 0.007 . 2 . . . . . 31 L QQD . 52141 1 260 . 1 . 1 31 31 LEU HD23 H 1 0.507 0.007 . 2 . . . . . 31 L QQD . 52141 1 261 . 1 . 1 31 31 LEU C C 13 175.162 0.000 . 1 . . . . . 31 L C . 52141 1 262 . 1 . 1 31 31 LEU CA C 13 52.257 0.000 . 1 . . . . . 31 L CA . 52141 1 263 . 1 . 1 31 31 LEU CB C 13 39.840 0.000 . 1 . . . . . 31 L CB . 52141 1 264 . 1 . 1 31 31 LEU N N 15 121.803 0.001 . 1 . . . . . 31 L N . 52141 1 265 . 1 . 1 32 32 SER H H 1 8.175 0.003 . 1 . . . . . 32 S H . 52141 1 266 . 1 . 1 32 32 SER HA H 1 4.079 0.004 . 1 . . . . . 32 S HA . 52141 1 267 . 1 . 1 32 32 SER HB2 H 1 3.709 0.000 . 1 . . . . . 32 S HB2 . 52141 1 268 . 1 . 1 32 32 SER HB3 H 1 3.904 0.000 . 1 . . . . . 32 S HB3 . 52141 1 269 . 1 . 1 32 32 SER C C 13 171.861 0.000 . 1 . . . . . 32 S C . 52141 1 270 . 1 . 1 32 32 SER CA C 13 55.208 0.000 . 1 . . . . . 32 S CA . 52141 1 271 . 1 . 1 32 32 SER CB C 13 61.232 0.000 . 1 . . . . . 32 S CB . 52141 1 272 . 1 . 1 32 32 SER N N 15 118.497 0.014 . 1 . . . . . 32 S N . 52141 1 273 . 1 . 1 33 33 ALA H H 1 8.442 0.001 . 1 . . . . . 33 A H . 52141 1 274 . 1 . 1 33 33 ALA HA H 1 3.776 0.005 . 1 . . . . . 33 A HA . 52141 1 275 . 1 . 1 33 33 ALA HB1 H 1 1.129 0.000 . 1 . . . . . 33 A QB . 52141 1 276 . 1 . 1 33 33 ALA HB2 H 1 1.129 0.000 . 1 . . . . . 33 A QB . 52141 1 277 . 1 . 1 33 33 ALA HB3 H 1 1.129 0.000 . 1 . . . . . 33 A QB . 52141 1 278 . 1 . 1 33 33 ALA C C 13 174.755 0.000 . 1 . . . . . 33 A C . 52141 1 279 . 1 . 1 33 33 ALA CA C 13 52.167 0.000 . 1 . . . . . 33 A CA . 52141 1 280 . 1 . 1 33 33 ALA CB C 13 14.922 0.000 . 1 . . . . . 33 A CB . 52141 1 281 . 1 . 1 33 33 ALA N N 15 124.945 0.007 . 1 . . . . . 33 A N . 52141 1 282 . 1 . 1 34 34 ALA H H 1 7.813 0.006 . 1 . . . . . 34 A H . 52141 1 283 . 1 . 1 34 34 ALA HA H 1 3.829 0.000 . 1 . . . . . 34 A HA . 52141 1 284 . 1 . 1 34 34 ALA HB1 H 1 1.574 0.000 . 1 . . . . . 34 A QB . 52141 1 285 . 1 . 1 34 34 ALA HB2 H 1 1.574 0.000 . 1 . . . . . 34 A QB . 52141 1 286 . 1 . 1 34 34 ALA HB3 H 1 1.574 0.000 . 1 . . . . . 34 A QB . 52141 1 287 . 1 . 1 34 34 ALA C C 13 175.633 0.000 . 1 . . . . . 34 A C . 52141 1 288 . 1 . 1 34 34 ALA CA C 13 55.131 0.000 . 1 . . . . . 34 A CA . 52141 1 289 . 1 . 1 34 34 ALA CB C 13 25.372 0.000 . 1 . . . . . 34 A CB . 52141 1 290 . 1 . 1 34 34 ALA N N 15 121.081 0.031 . 1 . . . . . 34 A N . 52141 1 291 . 1 . 1 35 35 ALA H H 1 7.765 0.013 . 1 . . . . . 35 A H . 52141 1 292 . 1 . 1 35 35 ALA HA H 1 3.879 0.000 . 1 . . . . . 35 A HA . 52141 1 293 . 1 . 1 35 35 ALA HB1 H 1 1.093 0.000 . 1 . . . . . 35 A QB . 52141 1 294 . 1 . 1 35 35 ALA HB2 H 1 1.093 0.000 . 1 . . . . . 35 A QB . 52141 1 295 . 1 . 1 35 35 ALA HB3 H 1 1.093 0.000 . 1 . . . . . 35 A QB . 52141 1 296 . 1 . 1 35 35 ALA C C 13 173.425 0.000 . 1 . . . . . 35 A C . 52141 1 297 . 1 . 1 35 35 ALA N N 15 123.385 0.034 . 1 . . . . . 35 A N . 52141 1 298 . 1 . 1 36 36 ARG H H 1 8.118 0.001 . 1 . . . . . 36 R H . 52141 1 299 . 1 . 1 36 36 ARG HA H 1 3.961 0.000 . 1 . . . . . 36 R HA . 52141 1 300 . 1 . 1 36 36 ARG HB3 H 1 1.490 0.000 . 1 . . . . . 36 R HB3 . 52141 1 301 . 1 . 1 36 36 ARG HD2 H 1 2.638 0.006 . 2 . . . . . 36 R QD . 52141 1 302 . 1 . 1 36 36 ARG HD3 H 1 2.638 0.006 . 2 . . . . . 36 R QD . 52141 1 303 . 1 . 1 36 36 ARG CA C 13 53.247 0.000 . 1 . . . . . 36 R CA . 52141 1 304 . 1 . 1 36 36 ARG CB C 13 29.982 0.000 . 1 . . . . . 36 R CB . 52141 1 305 . 1 . 1 36 36 ARG N N 15 124.349 0.002 . 1 . . . . . 36 R N . 52141 1 306 . 1 . 1 37 37 LYS C C 13 174.532 0.000 . 1 . . . . . 37 K C . 52141 1 307 . 1 . 1 37 37 LYS CA C 13 55.675 0.000 . 1 . . . . . 37 K CA . 52141 1 308 . 1 . 1 37 37 LYS CB C 13 27.208 0.000 . 1 . . . . . 37 K CB . 52141 1 309 . 1 . 1 38 38 GLN H H 1 7.621 0.002 . 1 . . . . . 38 Q H . 52141 1 310 . 1 . 1 38 38 GLN HA H 1 3.859 0.000 . 1 . . . . . 38 Q HA . 52141 1 311 . 1 . 1 38 38 GLN HB2 H 1 1.801 0.000 . 2 . . . . . 38 Q QB . 52141 1 312 . 1 . 1 38 38 GLN HB3 H 1 1.801 0.000 . 2 . . . . . 38 Q QB . 52141 1 313 . 1 . 1 38 38 GLN HG2 H 1 2.073 0.000 . 2 . . . . . 38 Q QG . 52141 1 314 . 1 . 1 38 38 GLN HG3 H 1 2.073 0.000 . 2 . . . . . 38 Q QG . 52141 1 315 . 1 . 1 38 38 GLN CA C 13 55.909 0.000 . 1 . . . . . 38 Q CA . 52141 1 316 . 1 . 1 38 38 GLN CB C 13 29.402 0.000 . 1 . . . . . 38 Q CB . 52141 1 317 . 1 . 1 38 38 GLN N N 15 120.279 0.025 . 1 . . . . . 38 Q N . 52141 1 318 . 1 . 1 39 39 ARG C C 13 175.473 0.000 . 1 . . . . . 39 R C . 52141 1 319 . 1 . 1 39 39 ARG CA C 13 55.462 0.000 . 1 . . . . . 39 R CA . 52141 1 320 . 1 . 1 39 39 ARG CB C 13 26.738 0.000 . 1 . . . . . 39 R CB . 52141 1 321 . 1 . 1 40 40 ASP H H 1 8.187 0.001 . 1 . . . . . 40 D H . 52141 1 322 . 1 . 1 40 40 ASP HA H 1 4.139 0.002 . 1 . . . . . 40 D HA . 52141 1 323 . 1 . 1 40 40 ASP HB2 H 1 2.362 0.001 . 1 . . . . . 40 D HB2 . 52141 1 324 . 1 . 1 40 40 ASP HB3 H 1 2.445 0.000 . 1 . . . . . 40 D HB3 . 52141 1 325 . 1 . 1 40 40 ASP C C 13 175.784 0.000 . 1 . . . . . 40 D C . 52141 1 326 . 1 . 1 40 40 ASP CA C 13 53.907 0.000 . 1 . . . . . 40 D CA . 52141 1 327 . 1 . 1 40 40 ASP CB C 13 36.870 0.000 . 1 . . . . . 40 D CB . 52141 1 328 . 1 . 1 40 40 ASP N N 15 120.146 0.002 . 1 . . . . . 40 D N . 52141 1 329 . 1 . 1 41 41 SER H H 1 7.777 0.001 . 1 . . . . . 41 S H . 52141 1 330 . 1 . 1 41 41 SER HA H 1 4.002 0.000 . 1 . . . . . 41 S HA . 52141 1 331 . 1 . 1 41 41 SER HB2 H 1 3.692 0.004 . 2 . . . . . 41 S QB . 52141 1 332 . 1 . 1 41 41 SER HB3 H 1 3.692 0.004 . 2 . . . . . 41 S QB . 52141 1 333 . 1 . 1 41 41 SER C C 13 177.184 0.000 . 1 . . . . . 41 S C . 52141 1 334 . 1 . 1 41 41 SER CA C 13 57.966 0.000 . 1 . . . . . 41 S CA . 52141 1 335 . 1 . 1 41 41 SER CB C 13 59.989 0.000 . 1 . . . . . 41 S CB . 52141 1 336 . 1 . 1 41 41 SER N N 15 116.769 0.160 . 1 . . . . . 41 S N . 52141 1 337 . 1 . 1 42 42 GLU H H 1 7.772 0.002 . 1 . . . . . 42 E H . 52141 1 338 . 1 . 1 42 42 GLU HA H 1 3.806 0.000 . 1 . . . . . 42 E HA . 52141 1 339 . 1 . 1 42 42 GLU C C 13 172.611 0.000 . 1 . . . . . 42 E C . 52141 1 340 . 1 . 1 42 42 GLU CA C 13 51.495 0.000 . 1 . . . . . 42 E CA . 52141 1 341 . 1 . 1 42 42 GLU CB C 13 26.384 0.000 . 1 . . . . . 42 E CB . 52141 1 342 . 1 . 1 42 42 GLU N N 15 123.320 0.004 . 1 . . . . . 42 E N . 52141 1 343 . 1 . 1 43 43 ILE H H 1 7.765 0.002 . 1 . . . . . 43 I H . 52141 1 344 . 1 . 1 43 43 ILE HA H 1 3.658 0.169 . 1 . . . . . 43 I HA . 52141 1 345 . 1 . 1 43 43 ILE HG12 H 1 1.621 0.001 . 2 . . . . . 43 I QG1 . 52141 1 346 . 1 . 1 43 43 ILE HG13 H 1 1.621 0.001 . 2 . . . . . 43 I QG1 . 52141 1 347 . 1 . 1 43 43 ILE HD11 H 1 0.592 0.009 . 1 . . . . . 43 I QD1 . 52141 1 348 . 1 . 1 43 43 ILE HD12 H 1 0.592 0.009 . 1 . . . . . 43 I QD1 . 52141 1 349 . 1 . 1 43 43 ILE HD13 H 1 0.592 0.009 . 1 . . . . . 43 I QD1 . 52141 1 350 . 1 . 1 43 43 ILE C C 13 175.446 0.000 . 1 . . . . . 43 I C . 52141 1 351 . 1 . 1 43 43 ILE CA C 13 61.064 0.000 . 1 . . . . . 43 I CA . 52141 1 352 . 1 . 1 43 43 ILE CB C 13 35.524 0.000 . 1 . . . . . 43 I CB . 52141 1 353 . 1 . 1 43 43 ILE N N 15 121.362 0.003 . 1 . . . . . 43 I N . 52141 1 354 . 1 . 1 44 44 MET H H 1 7.683 0.006 . 1 . . . . . 44 M H . 52141 1 355 . 1 . 1 44 44 MET HA H 1 3.982 0.002 . 1 . . . . . 44 M HA . 52141 1 356 . 1 . 1 44 44 MET HB2 H 1 1.851 0.009 . 2 . . . . . 44 M QB . 52141 1 357 . 1 . 1 44 44 MET HB3 H 1 1.851 0.009 . 2 . . . . . 44 M QB . 52141 1 358 . 1 . 1 44 44 MET HG2 H 1 2.273 0.001 . 1 . . . . . 44 M HG2 . 52141 1 359 . 1 . 1 44 44 MET HG3 H 1 2.353 0.004 . 1 . . . . . 44 M HG3 . 52141 1 360 . 1 . 1 44 44 MET C C 13 175.269 0.000 . 1 . . . . . 44 M C . 52141 1 361 . 1 . 1 44 44 MET CA C 13 54.610 0.000 . 1 . . . . . 44 M CA . 52141 1 362 . 1 . 1 44 44 MET CB C 13 28.923 0.000 . 1 . . . . . 44 M CB . 52141 1 363 . 1 . 1 44 44 MET N N 15 120.928 0.028 . 1 . . . . . 44 M N . 52141 1 364 . 1 . 1 45 45 GLN H H 1 7.917 0.006 . 1 . . . . . 45 Q H . 52141 1 365 . 1 . 1 45 45 GLN HA H 1 3.835 0.000 . 1 . . . . . 45 Q HA . 52141 1 366 . 1 . 1 45 45 GLN C C 13 174.847 0.000 . 1 . . . . . 45 Q C . 52141 1 367 . 1 . 1 45 45 GLN CA C 13 54.859 0.000 . 1 . . . . . 45 Q CA . 52141 1 368 . 1 . 1 45 45 GLN CB C 13 25.804 0.000 . 1 . . . . . 45 Q CB . 52141 1 369 . 1 . 1 45 45 GLN N N 15 119.958 0.000 . 1 . . . . . 45 Q N . 52141 1 370 . 1 . 1 46 46 GLN H H 1 7.840 0.004 . 1 . . . . . 46 Q H . 52141 1 371 . 1 . 1 46 46 GLN HA H 1 3.971 0.000 . 1 . . . . . 46 Q HA . 52141 1 372 . 1 . 1 46 46 GLN C C 13 173.755 0.000 . 1 . . . . . 46 Q C . 52141 1 373 . 1 . 1 46 46 GLN CA C 13 53.279 0.000 . 1 . . . . . 46 Q CA . 52141 1 374 . 1 . 1 46 46 GLN CB C 13 30.158 0.000 . 1 . . . . . 46 Q CB . 52141 1 375 . 1 . 1 46 46 GLN N N 15 121.545 0.027 . 1 . . . . . 46 Q N . 52141 1 376 . 1 . 1 47 47 LYS H H 1 8.184 0.004 . 1 . . . . . 47 K H . 52141 1 377 . 1 . 1 47 47 LYS HA H 1 3.971 0.000 . 1 . . . . . 47 K HA . 52141 1 378 . 1 . 1 47 47 LYS HB2 H 1 1.498 0.000 . 2 . . . . . 47 K QB . 52141 1 379 . 1 . 1 47 47 LYS HB3 H 1 1.498 0.000 . 2 . . . . . 47 K QB . 52141 1 380 . 1 . 1 47 47 LYS HD2 H 1 1.446 0.000 . 2 . . . . . 47 K QD . 52141 1 381 . 1 . 1 47 47 LYS HD3 H 1 1.446 0.000 . 2 . . . . . 47 K QD . 52141 1 382 . 1 . 1 47 47 LYS HE2 H 1 2.872 0.000 . 2 . . . . . 47 K QE . 52141 1 383 . 1 . 1 47 47 LYS HE3 H 1 2.872 0.000 . 2 . . . . . 47 K QE . 52141 1 384 . 1 . 1 47 47 LYS HZ1 H 1 1.320 0.002 . 1 . . . . . 47 K QZ . 52141 1 385 . 1 . 1 47 47 LYS HZ2 H 1 1.320 0.002 . 1 . . . . . 47 K QZ . 52141 1 386 . 1 . 1 47 47 LYS HZ3 H 1 1.320 0.002 . 1 . . . . . 47 K QZ . 52141 1 387 . 1 . 1 47 47 LYS CA C 13 53.251 0.000 . 1 . . . . . 47 K CA . 52141 1 388 . 1 . 1 47 47 LYS CB C 13 27.787 0.000 . 1 . . . . . 47 K CB . 52141 1 389 . 1 . 1 47 47 LYS N N 15 123.848 0.029 . 1 . . . . . 47 K N . 52141 1 390 . 1 . 1 50 50 LYS C C 13 174.479 0.000 . 1 . . . . . 50 K C . 52141 1 391 . 1 . 1 50 50 LYS CA C 13 53.949 0.000 . 1 . . . . . 50 K CA . 52141 1 392 . 1 . 1 50 50 LYS CB C 13 29.617 0.000 . 1 . . . . . 50 K CB . 52141 1 393 . 1 . 1 51 51 ALA H H 1 7.918 0.002 . 1 . . . . . 51 A H . 52141 1 394 . 1 . 1 51 51 ALA HA H 1 3.889 0.001 . 1 . . . . . 51 A HA . 52141 1 395 . 1 . 1 51 51 ALA HB1 H 1 1.091 0.001 . 1 . . . . . 51 A QB . 52141 1 396 . 1 . 1 51 51 ALA HB2 H 1 1.091 0.001 . 1 . . . . . 51 A QB . 52141 1 397 . 1 . 1 51 51 ALA HB3 H 1 1.091 0.001 . 1 . . . . . 51 A QB . 52141 1 398 . 1 . 1 51 51 ALA C C 13 175.324 0.000 . 1 . . . . . 51 A C . 52141 1 399 . 1 . 1 51 51 ALA CA C 13 50.431 0.000 . 1 . . . . . 51 A CA . 52141 1 400 . 1 . 1 51 51 ALA CB C 13 15.771 0.000 . 1 . . . . . 51 A CB . 52141 1 401 . 1 . 1 51 51 ALA N N 15 124.372 0.008 . 1 . . . . . 51 A N . 52141 1 402 . 1 . 1 52 52 ASN H H 1 7.952 0.004 . 1 . . . . . 52 N H . 52141 1 403 . 1 . 1 52 52 ASN HA H 1 4.357 0.033 . 1 . . . . . 52 N HA . 52141 1 404 . 1 . 1 52 52 ASN HB2 H 1 2.462 0.000 . 1 . . . . . 52 N HB1 . 52141 1 405 . 1 . 1 52 52 ASN HB3 H 1 2.535 0.000 . 1 . . . . . 52 N HB2 . 52141 1 406 . 1 . 1 52 52 ASN C C 13 172.921 0.000 . 1 . . . . . 52 N C . 52141 1 407 . 1 . 1 52 52 ASN CA C 13 50.392 0.000 . 1 . . . . . 52 N CA . 52141 1 408 . 1 . 1 52 52 ASN CB C 13 35.655 0.000 . 1 . . . . . 52 N CB . 52141 1 409 . 1 . 1 52 52 ASN N N 15 117.219 0.030 . 1 . . . . . 52 N N . 52141 1 410 . 1 . 1 53 53 GLU H H 1 8.248 0.001 . 1 . . . . . 53 E H . 52141 1 411 . 1 . 1 53 53 GLU HA H 1 3.819 0.000 . 1 . . . . . 53 E HA . 52141 1 412 . 1 . 1 53 53 GLU HB2 H 1 1.737 0.011 . 1 . . . . . 53 E HB2 . 52141 1 413 . 1 . 1 53 53 GLU HB3 H 1 1.812 0.001 . 1 . . . . . 53 E HB3 . 52141 1 414 . 1 . 1 53 53 GLU HG2 H 1 2.084 0.003 . 2 . . . . . 53 E QG . 52141 1 415 . 1 . 1 53 53 GLU HG3 H 1 2.084 0.003 . 2 . . . . . 53 E QG . 52141 1 416 . 1 . 1 53 53 GLU C C 13 174.343 0.000 . 1 . . . . . 53 E C . 52141 1 417 . 1 . 1 53 53 GLU CA C 13 54.628 0.000 . 1 . . . . . 53 E CA . 52141 1 418 . 1 . 1 53 53 GLU CB C 13 25.773 0.000 . 1 . . . . . 53 E CB . 52141 1 419 . 1 . 1 53 53 GLU N N 15 121.394 0.018 . 1 . . . . . 53 E N . 52141 1 420 . 1 . 1 54 54 LYS H H 1 8.097 0.001 . 1 . . . . . 54 K H . 52141 1 421 . 1 . 1 54 54 LYS HA H 1 3.825 0.000 . 1 . . . . . 54 K HA . 52141 1 422 . 1 . 1 54 54 LYS HB2 H 1 1.323 0.048 . 1 . . . . . 54 K HB2 . 52141 1 423 . 1 . 1 54 54 LYS HD2 H 1 2.197 0.678 . 2 . . . . . 54 K QD . 52141 1 424 . 1 . 1 54 54 LYS HD3 H 1 2.197 0.678 . 2 . . . . . 54 K QD . 52141 1 425 . 1 . 1 54 54 LYS C C 13 174.315 0.000 . 1 . . . . . 54 K C . 52141 1 426 . 1 . 1 54 54 LYS CA C 13 54.769 0.000 . 1 . . . . . 54 K CA . 52141 1 427 . 1 . 1 54 54 LYS CB C 13 27.214 0.000 . 1 . . . . . 54 K CB . 52141 1 428 . 1 . 1 54 54 LYS N N 15 121.727 0.008 . 1 . . . . . 54 K N . 52141 1 429 . 1 . 1 55 55 LYS H H 1 7.941 0.002 . 1 . . . . . 55 K H . 52141 1 430 . 1 . 1 55 55 LYS HA H 1 3.910 0.001 . 1 . . . . . 55 K HA . 52141 1 431 . 1 . 1 55 55 LYS HB2 H 1 1.437 0.000 . 1 . . . . . 55 K HB2 . 52141 1 432 . 1 . 1 55 55 LYS HB3 H 1 1.490 0.000 . 1 . . . . . 55 K HB3 . 52141 1 433 . 1 . 1 55 55 LYS HD2 H 1 1.445 0.000 . 2 . . . . . 55 K QD . 52141 1 434 . 1 . 1 55 55 LYS HD3 H 1 1.445 0.000 . 2 . . . . . 55 K QD . 52141 1 435 . 1 . 1 55 55 LYS HE2 H 1 2.647 0.000 . 2 . . . . . 55 K QE . 52141 1 436 . 1 . 1 55 55 LYS HE3 H 1 2.647 0.000 . 2 . . . . . 55 K QE . 52141 1 437 . 1 . 1 55 55 LYS C C 13 173.480 0.000 . 1 . . . . . 55 K C . 52141 1 438 . 1 . 1 55 55 LYS N N 15 122.066 0.002 . 1 . . . . . 55 K N . 52141 1 439 . 1 . 1 56 56 GLU H H 1 8.207 0.004 . 1 . . . . . 56 E H . 52141 1 440 . 1 . 1 56 56 GLU HA H 1 3.971 0.001 . 1 . . . . . 56 E HA . 52141 1 441 . 1 . 1 56 56 GLU HB2 H 1 1.561 0.000 . 1 . . . . . 56 E HB2 . 52141 1 442 . 1 . 1 56 56 GLU HB3 H 1 1.678 0.001 . 1 . . . . . 56 E HB3 . 52141 1 443 . 1 . 1 56 56 GLU HG2 H 1 1.921 0.003 . 2 . . . . . 56 E QG . 52141 1 444 . 1 . 1 56 56 GLU HG3 H 1 1.921 0.003 . 2 . . . . . 56 E QG . 52141 1 445 . 1 . 1 56 56 GLU C C 13 173.213 0.000 . 1 . . . . . 56 E C . 52141 1 446 . 1 . 1 56 56 GLU CA C 13 53.014 0.000 . 1 . . . . . 56 E CA . 52141 1 447 . 1 . 1 56 56 GLU CB C 13 27.270 0.000 . 1 . . . . . 56 E CB . 52141 1 448 . 1 . 1 56 56 GLU N N 15 123.359 0.007 . 1 . . . . . 56 E N . 52141 1 449 . 1 . 1 57 57 GLU H H 1 8.252 0.003 . 1 . . . . . 57 E H . 52141 1 450 . 1 . 1 57 57 GLU HA H 1 4.232 0.006 . 1 . . . . . 57 E HA . 52141 1 451 . 1 . 1 57 57 GLU HB2 H 1 1.532 0.000 . 1 . . . . . 57 E HB2 . 52141 1 452 . 1 . 1 57 57 GLU HB3 H 1 1.700 0.000 . 1 . . . . . 57 E HB3 . 52141 1 453 . 1 . 1 57 57 GLU HG2 H 1 1.953 0.000 . 1 . . . . . 57 E HG2 . 52141 1 454 . 1 . 1 57 57 GLU HG3 H 1 2.018 0.000 . 1 . . . . . 57 E HG3 . 52141 1 455 . 1 . 1 57 57 GLU CA C 13 51.353 0.000 . 1 . . . . . 57 E CA . 52141 1 456 . 1 . 1 57 57 GLU CB C 13 26.514 0.000 . 1 . . . . . 57 E CB . 52141 1 457 . 1 . 1 57 57 GLU N N 15 124.904 0.028 . 1 . . . . . 57 E N . 52141 1 458 . 1 . 1 58 58 PRO HA H 1 4.082 0.000 . 1 . . . . . 58 P HA . 52141 1 459 . 1 . 1 58 58 PRO HB2 H 1 1.617 0.000 . 2 . . . . . 58 P QB . 52141 1 460 . 1 . 1 58 58 PRO HB3 H 1 1.617 0.000 . 2 . . . . . 58 P QB . 52141 1 461 . 1 . 1 58 58 PRO HG2 H 1 1.969 0.000 . 2 . . . . . 58 P QG . 52141 1 462 . 1 . 1 58 58 PRO HG3 H 1 1.969 0.000 . 2 . . . . . 58 P QG . 52141 1 463 . 1 . 1 58 58 PRO HD2 H 1 3.382 0.005 . 1 . . . . . 58 P HD2 . 52141 1 464 . 1 . 1 58 58 PRO HD3 H 1 3.497 0.001 . 1 . . . . . 58 P HD3 . 52141 1 465 . 1 . 1 58 58 PRO C C 13 173.151 0.000 . 1 . . . . . 58 P C . 52141 1 466 . 1 . 1 58 58 PRO CA C 13 60.399 0.000 . 1 . . . . . 58 P CA . 52141 1 467 . 1 . 1 58 58 PRO CB C 13 28.948 0.000 . 1 . . . . . 58 P CB . 52141 1 468 . 1 . 1 59 59 LYS H H 1 7.831 0.000 . 1 . . . . . 59 K H . 52141 1 469 . 1 . 1 59 59 LYS HA H 1 3.822 0.000 . 1 . . . . . 59 K HA . 52141 1 470 . 1 . 1 59 59 LYS HB2 H 1 1.376 0.000 . 1 . . . . . 59 K HB2 . 52141 1 471 . 1 . 1 59 59 LYS HB3 H 1 1.508 0.000 . 1 . . . . . 59 K HB3 . 52141 1 472 . 1 . 1 59 59 LYS HG2 H 1 1.106 0.002 . 2 . . . . . 59 K QG . 52141 1 473 . 1 . 1 59 59 LYS HG3 H 1 1.106 0.002 . 2 . . . . . 59 K QG . 52141 1 474 . 1 . 1 59 59 LYS HD2 H 1 1.374 0.005 . 2 . . . . . 59 K QD . 52141 1 475 . 1 . 1 59 59 LYS HD3 H 1 1.374 0.005 . 2 . . . . . 59 K QD . 52141 1 476 . 1 . 1 59 59 LYS CA C 13 54.622 0.000 . 1 . . . . . 59 K CA . 52141 1 477 . 1 . 1 59 59 LYS CB C 13 30.553 0.000 . 1 . . . . . 59 K CB . 52141 1 478 . 1 . 1 59 59 LYS N N 15 127.730 0.001 . 1 . . . . . 59 K N . 52141 1 stop_ save_