data_52729 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52729 _Entry.Title ; Single Alpha-Helix in the postsynaptic Drebrin protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-11-28 _Entry.Accession_date 2024-11-28 _Entry.Last_release_date 2024-11-29 _Entry.Original_release_date 2024-11-29 _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 . _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 Soma Varga . . . . 52729 2 Perttu Permi . . . . 52729 3 Zoltan Gaspari . . . . 52729 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52729 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 281 52729 '15N chemical shifts' 66 52729 '1H chemical shifts' 131 52729 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 . . 2025-04-08 . original BMRB . 52729 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52729 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 40192062 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Dynamic Interchange of Local Residue-Residue Interactions in the Largely Extended Single Alpha-Helix in Drebrin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. J.' _Citation.Journal_name_full 'The Biochemical journal' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1470-8728 _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 2025 _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 Soma Varga S. . . . 52729 1 2 'Balint Ferenc' Peterfia B. F. . . 52729 1 3 Daniel Dudola D. . . . 52729 1 4 Viktor Farkas V. . . . 52729 1 5 Cy Jeffries C. M. . . 52729 1 6 Perttu Permi P. . . . 52729 1 7 Zoltan Gaspari Z. . . . 52729 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'SAH, 4D NMR' 52729 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52729 _Assembly.ID 1 _Assembly.Name 'Drebrin SAH' _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 yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'Drebrin SAH' 1 $entity_1 . . yes native no no . . . 52729 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes SASBDB SASDVV6 . . SAXS . . . 52729 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52729 _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 ; GSHMKDPMKRINREQFWEQA KKEEELRKEEERKKALDERL RFEQERMEQERQEQEERERR YREREQQIEEHRRK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 74 _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_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 . GLY . 52729 1 2 . SER . 52729 1 3 . HIS . 52729 1 4 . MET . 52729 1 5 . LYS . 52729 1 6 . ASP . 52729 1 7 . PRO . 52729 1 8 . MET . 52729 1 9 . LYS . 52729 1 10 . ARG . 52729 1 11 . ILE . 52729 1 12 . ASN . 52729 1 13 . ARG . 52729 1 14 . GLU . 52729 1 15 . GLN . 52729 1 16 . PHE . 52729 1 17 . TRP . 52729 1 18 . GLU . 52729 1 19 . GLN . 52729 1 20 . ALA . 52729 1 21 . LYS . 52729 1 22 . LYS . 52729 1 23 . GLU . 52729 1 24 . GLU . 52729 1 25 . GLU . 52729 1 26 . LEU . 52729 1 27 . ARG . 52729 1 28 . LYS . 52729 1 29 . GLU . 52729 1 30 . GLU . 52729 1 31 . GLU . 52729 1 32 . ARG . 52729 1 33 . LYS . 52729 1 34 . LYS . 52729 1 35 . ALA . 52729 1 36 . LEU . 52729 1 37 . ASP . 52729 1 38 . GLU . 52729 1 39 . ARG . 52729 1 40 . LEU . 52729 1 41 . ARG . 52729 1 42 . PHE . 52729 1 43 . GLU . 52729 1 44 . GLN . 52729 1 45 . GLU . 52729 1 46 . ARG . 52729 1 47 . MET . 52729 1 48 . GLU . 52729 1 49 . GLN . 52729 1 50 . GLU . 52729 1 51 . ARG . 52729 1 52 . GLN . 52729 1 53 . GLU . 52729 1 54 . GLN . 52729 1 55 . GLU . 52729 1 56 . GLU . 52729 1 57 . ARG . 52729 1 58 . GLU . 52729 1 59 . ARG . 52729 1 60 . ARG . 52729 1 61 . TYR . 52729 1 62 . ARG . 52729 1 63 . GLU . 52729 1 64 . ARG . 52729 1 65 . GLU . 52729 1 66 . GLN . 52729 1 67 . GLN . 52729 1 68 . ILE . 52729 1 69 . GLU . 52729 1 70 . GLU . 52729 1 71 . HIS . 52729 1 72 . ARG . 52729 1 73 . ARG . 52729 1 74 . LYS . 52729 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 . GLY 1 1 52729 1 . SER 2 2 52729 1 . HIS 3 3 52729 1 . MET 4 4 52729 1 . LYS 5 5 52729 1 . ASP 6 6 52729 1 . PRO 7 7 52729 1 . MET 8 8 52729 1 . LYS 9 9 52729 1 . ARG 10 10 52729 1 . ILE 11 11 52729 1 . ASN 12 12 52729 1 . ARG 13 13 52729 1 . GLU 14 14 52729 1 . GLN 15 15 52729 1 . PHE 16 16 52729 1 . TRP 17 17 52729 1 . GLU 18 18 52729 1 . GLN 19 19 52729 1 . ALA 20 20 52729 1 . LYS 21 21 52729 1 . LYS 22 22 52729 1 . GLU 23 23 52729 1 . GLU 24 24 52729 1 . GLU 25 25 52729 1 . LEU 26 26 52729 1 . ARG 27 27 52729 1 . LYS 28 28 52729 1 . GLU 29 29 52729 1 . GLU 30 30 52729 1 . GLU 31 31 52729 1 . ARG 32 32 52729 1 . LYS 33 33 52729 1 . LYS 34 34 52729 1 . ALA 35 35 52729 1 . LEU 36 36 52729 1 . ASP 37 37 52729 1 . GLU 38 38 52729 1 . ARG 39 39 52729 1 . LEU 40 40 52729 1 . ARG 41 41 52729 1 . PHE 42 42 52729 1 . GLU 43 43 52729 1 . GLN 44 44 52729 1 . GLU 45 45 52729 1 . ARG 46 46 52729 1 . MET 47 47 52729 1 . GLU 48 48 52729 1 . GLN 49 49 52729 1 . GLU 50 50 52729 1 . ARG 51 51 52729 1 . GLN 52 52 52729 1 . GLU 53 53 52729 1 . GLN 54 54 52729 1 . GLU 55 55 52729 1 . GLU 56 56 52729 1 . ARG 57 57 52729 1 . GLU 58 58 52729 1 . ARG 59 59 52729 1 . ARG 60 60 52729 1 . TYR 61 61 52729 1 . ARG 62 62 52729 1 . GLU 63 63 52729 1 . ARG 64 64 52729 1 . GLU 65 65 52729 1 . GLN 66 66 52729 1 . GLN 67 67 52729 1 . ILE 68 68 52729 1 . GLU 69 69 52729 1 . GLU 70 70 52729 1 . HIS 71 71 52729 1 . ARG 72 72 52729 1 . ARG 73 73 52729 1 . LYS 74 74 52729 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 52729 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52729 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 52729 _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-DE3 . . plasmid . . pET-15b . . . 52729 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52729 _Sample.ID 1 _Sample.Name 'Drebrin SAH' _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 'Drebrin SAH' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.34 . . mM . . . . 52729 1 2 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 52729 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 52729 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 52729 1 5 'sodium azide' 'natural abundance' . . . . . . 0.1 . . mM . . . . 52729 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 52729 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Drebrin SAH' _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' 0.07 . M 52729 1 pH 6 . pH 52729 1 pressure 1 . atm 52729 1 temperature 298 . K 52729 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52729 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52729 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52729 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52729 2 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 52729 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AVANCE III HD 800 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 52729 _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 '1D 1H' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52729 1 2 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52729 1 3 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52729 1 4 '3D iHNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52729 1 5 '3D (H)CC(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52729 1 6 '3D H(CC)(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52729 1 7 '4D (HACA)N(CA)CONH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52729 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 52729 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Drebrin SAH' _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 na indirect 0.251449530 . . . . . 52729 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0000 . . . . . 52729 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 52729 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 52729 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Drebrin SAH' _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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 2 '2D 1H-15N HSQC' . . . 52729 1 3 '3D HNCO' . . . 52729 1 4 '3D iHNCO' . . . 52729 1 5 '3D (H)CC(CO)NH' . . . 52729 1 6 '3D H(CC)(CO)NH' . . . 52729 1 7 '4D (HACA)N(CA)CONH' . . . 52729 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 2 $software_2 . . 52729 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 9 9 LYS H H 1 7.986058702 0.0007054543281 . 1 . . . . . 9 LYS H . 52729 1 2 . 1 . 1 9 9 LYS HA H 1 4.271901883 . . 1 . . . . . 9 LYS HA . 52729 1 3 . 1 . 1 9 9 LYS C C 13 176.358477949 . . 1 . . . . . 9 LYS C . 52729 1 4 . 1 . 1 9 9 LYS CA C 13 56.428275839 . . 1 . . . . . 9 LYS CA . 52729 1 5 . 1 . 1 9 9 LYS CB C 13 32.871400069 . . 1 . . . . . 9 LYS CB . 52729 1 6 . 1 . 1 9 9 LYS CG C 13 24.890970609 . . 1 . . . . . 9 LYS CG . 52729 1 7 . 1 . 1 9 9 LYS CD C 13 29.008423529 . . 1 . . . . . 9 LYS CD . 52729 1 8 . 1 . 1 9 9 LYS N N 15 121.610762781 0.002887054905 . 1 . . . . . 9 LYS N . 52729 1 9 . 1 . 1 10 10 ARG H H 1 8.232011048 0.0004144610421 . 1 . . . . . 10 ARG H . 52729 1 10 . 1 . 1 10 10 ARG HA H 1 4.297451675 . . 1 . . . . . 10 ARG HA . 52729 1 11 . 1 . 1 10 10 ARG C C 13 176.271168149 . . 1 . . . . . 10 ARG C . 52729 1 12 . 1 . 1 10 10 ARG CA C 13 56.332651099 . . 1 . . . . . 10 ARG CA . 52729 1 13 . 1 . 1 10 10 ARG CB C 13 30.751603989 . . 1 . . . . . 10 ARG CB . 52729 1 14 . 1 . 1 10 10 ARG CG C 13 27.180869799 . . 1 . . . . . 10 ARG CG . 52729 1 15 . 1 . 1 10 10 ARG CD C 13 43.334034639 . . 1 . . . . . 10 ARG CD . 52729 1 16 . 1 . 1 10 10 ARG N N 15 122.408798881 0.0000013 . 1 . . . . . 10 ARG N . 52729 1 17 . 1 . 1 11 11 ILE H H 1 8.154770501 0.0004831317787 . 1 . . . . . 11 ILE H . 52729 1 18 . 1 . 1 11 11 ILE HA H 1 4.147955530 . . 1 . . . . . 11 ILE HA . 52729 1 19 . 1 . 1 11 11 ILE C C 13 175.871148949 . . 1 . . . . . 11 ILE C . 52729 1 20 . 1 . 1 11 11 ILE CA C 13 61.204119999 . . 1 . . . . . 11 ILE CA . 52729 1 21 . 1 . 1 11 11 ILE CB C 13 38.851885939 . . 1 . . . . . 11 ILE CB . 52729 1 22 . 1 . 1 11 11 ILE CG1 C 13 27.312490899 . . 1 . . . . . 11 ILE CG1 . 52729 1 23 . 1 . 1 11 11 ILE CG2 C 13 17.507922739 . . 1 . . . . . 11 ILE CG2 . 52729 1 24 . 1 . 1 11 11 ILE CD1 C 13 12.967997079 . . 1 . . . . . 11 ILE CD1 . 52729 1 25 . 1 . 1 11 11 ILE N N 15 121.662442281 0.0004964037424 . 1 . . . . . 11 ILE N . 52729 1 26 . 1 . 1 12 12 ASN H H 1 8.481658862 0.0004565579771 . 1 . . . . . 12 ASN H . 52729 1 27 . 1 . 1 12 12 ASN HA H 1 4.710952958 . . 1 . . . . . 12 ASN HA . 52729 1 28 . 1 . 1 12 12 ASN C C 13 175.385843249 . . 1 . . . . . 12 ASN C . 52729 1 29 . 1 . 1 12 12 ASN CA C 13 53.770510529 . . 1 . . . . . 12 ASN CA . 52729 1 30 . 1 . 1 12 12 ASN CB C 13 38.834171999 . . 1 . . . . . 12 ASN CB . 52729 1 31 . 1 . 1 12 12 ASN N N 15 122.813133881 0 . 1 . . . . . 12 ASN N . 52729 1 32 . 1 . 1 13 13 ARG H H 1 8.386487645 0.0007375403696 . 1 . . . . . 13 ARG H . 52729 1 33 . 1 . 1 13 13 ARG HA H 1 4.199832058 . . 1 . . . . . 13 ARG HA . 52729 1 34 . 1 . 1 13 13 ARG C C 13 176.677091149 . . 1 . . . . . 13 ARG C . 52729 1 35 . 1 . 1 13 13 ARG CA C 13 57.094643879 . . 1 . . . . . 13 ARG CA . 52729 1 36 . 1 . 1 13 13 ARG CB C 13 30.580312669 . . 1 . . . . . 13 ARG CB . 52729 1 37 . 1 . 1 13 13 ARG CG C 13 27.119181469 . . 1 . . . . . 13 ARG CG . 52729 1 38 . 1 . 1 13 13 ARG CD C 13 43.336352349 . . 1 . . . . . 13 ARG CD . 52729 1 39 . 1 . 1 13 13 ARG N N 15 122.011048681 0 . 1 . . . . . 13 ARG N . 52729 1 40 . 1 . 1 14 14 GLU H H 1 8.499683677 0.000873747519 . 1 . . . . . 14 GLU H . 52729 1 41 . 1 . 1 14 14 GLU HA H 1 4.116321237 . . 1 . . . . . 14 GLU HA . 52729 1 42 . 1 . 1 14 14 GLU C C 13 177.388370749 . . 1 . . . . . 14 GLU C . 52729 1 43 . 1 . 1 14 14 GLU CA C 13 57.875587499 . . 1 . . . . . 14 GLU CA . 52729 1 44 . 1 . 1 14 14 GLU CB C 13 29.711981149 . . 1 . . . . . 14 GLU CB . 52729 1 45 . 1 . 1 14 14 GLU CG C 13 36.485955369 . . 1 . . . . . 14 GLU CG . 52729 1 46 . 1 . 1 14 14 GLU N N 15 120.774273681 0.0000013 . 1 . . . . . 14 GLU N . 52729 1 47 . 1 . 1 15 15 GLN H H 1 8.243697995 0.0006300519513 . 1 . . . . . 15 GLN H . 52729 1 48 . 1 . 1 15 15 GLN HA H 1 4.162014092 . . 1 . . . . . 15 GLN HA . 52729 1 49 . 1 . 1 15 15 GLN C C 13 176.753367349 . . 1 . . . . . 15 GLN C . 52729 1 50 . 1 . 1 15 15 GLN CA C 13 56.968043829 . . 1 . . . . . 15 GLN CA . 52729 1 51 . 1 . 1 15 15 GLN CB C 13 29.064286659 . . 1 . . . . . 15 GLN CB . 52729 1 52 . 1 . 1 15 15 GLN CG C 13 33.983830399 . . 1 . . . . . 15 GLN CG . 52729 1 53 . 1 . 1 15 15 GLN N N 15 119.855416781 0.0000013 . 1 . . . . . 15 GLN N . 52729 1 54 . 1 . 1 16 16 PHE H H 1 8.136175781 0.0008098894719 . 1 . . . . . 16 PHE H . 52729 1 55 . 1 . 1 16 16 PHE HA H 1 4.474681131 . . 1 . . . . . 16 PHE HA . 52729 1 56 . 1 . 1 16 16 PHE C C 13 176.662852649 . . 1 . . . . . 16 PHE C . 52729 1 57 . 1 . 1 16 16 PHE CA C 13 59.160440189 . . 1 . . . . . 16 PHE CA . 52729 1 58 . 1 . 1 16 16 PHE CB C 13 38.933053419 . . 1 . . . . . 16 PHE CB . 52729 1 59 . 1 . 1 16 16 PHE N N 15 120.456449981 0.0005318442528 . 1 . . . . . 16 PHE N . 52729 1 60 . 1 . 1 17 17 TRP H H 1 7.974804386 0.0006623292641 . 1 . . . . . 17 TRP H . 52729 1 61 . 1 . 1 17 17 TRP HA H 1 4.551322696 . . 1 . . . . . 17 TRP HA . 52729 1 62 . 1 . 1 17 17 TRP C C 13 177.339664949 . . 1 . . . . . 17 TRP C . 52729 1 63 . 1 . 1 17 17 TRP CA C 13 58.498475879 . . 1 . . . . . 17 TRP CA . 52729 1 64 . 1 . 1 17 17 TRP CB C 13 29.318019169 . . 1 . . . . . 17 TRP CB . 52729 1 65 . 1 . 1 17 17 TRP N N 15 121.473730181 0.0000013 . 1 . . . . . 17 TRP N . 52729 1 66 . 1 . 1 18 18 GLU H H 1 8.162448947 0.0002841338099 . 1 . . . . . 18 GLU H . 52729 1 67 . 1 . 1 18 18 GLU HA H 1 4.010013915 . . 1 . . . . . 18 GLU HA . 52729 1 68 . 1 . 1 18 18 GLU C C 13 177.944793449 . . 1 . . . . . 18 GLU C . 52729 1 69 . 1 . 1 18 18 GLU CA C 13 59.116957429 . . 1 . . . . . 18 GLU CA . 52729 1 70 . 1 . 1 18 18 GLU CB C 13 29.847696709 . . 1 . . . . . 18 GLU CB . 52729 1 71 . 1 . 1 18 18 GLU CG C 13 36.350530569 . . 1 . . . . . 18 GLU CG . 52729 1 72 . 1 . 1 18 18 GLU N N 15 121.261692181 0 . 1 . . . . . 18 GLU N . 52729 1 73 . 1 . 1 19 19 GLN H H 1 8.096438257 0.005085899483 . 1 . . . . . 19 GLN H . 52729 1 74 . 1 . 1 19 19 GLN HA H 1 4.061162375 . . 1 . . . . . 19 GLN HA . 52729 1 75 . 1 . 1 19 19 GLN C C 13 177.263837949 . . 1 . . . . . 19 GLN C . 52729 1 76 . 1 . 1 19 19 GLN CA C 13 57.877721409 . . 1 . . . . . 19 GLN CA . 52729 1 77 . 1 . 1 19 19 GLN CB C 13 28.446094509 . . 1 . . . . . 19 GLN CB . 52729 1 78 . 1 . 1 19 19 GLN CG C 13 33.545424029 . . 1 . . . . . 19 GLN CG . 52729 1 79 . 1 . 1 19 19 GLN N N 15 120.467700881 0.0000013 . 1 . . . . . 19 GLN N . 52729 1 80 . 1 . 1 20 20 ALA H H 1 8.156478980 0.0002081536887 . 1 . . . . . 20 ALA H . 52729 1 81 . 1 . 1 20 20 ALA HA H 1 4.151979017 . . 1 . . . . . 20 ALA HA . 52729 1 82 . 1 . 1 20 20 ALA C C 13 179.765702249 . . 1 . . . . . 20 ALA C . 52729 1 83 . 1 . 1 20 20 ALA CA C 13 54.248524279 . . 1 . . . . . 20 ALA CA . 52729 1 84 . 1 . 1 20 20 ALA CB C 13 18.418375969 . . 1 . . . . . 20 ALA CB . 52729 1 85 . 1 . 1 20 20 ALA N N 15 123.064042081 0.0000013 . 1 . . . . . 20 ALA N . 52729 1 86 . 1 . 1 21 21 LYS H H 1 7.991660482 0.0005282209423 . 1 . . . . . 21 LYS H . 52729 1 87 . 1 . 1 21 21 LYS HA H 1 4.143763061 . . 1 . . . . . 21 LYS HA . 52729 1 88 . 1 . 1 21 21 LYS C C 13 178.254806149 . . 1 . . . . . 21 LYS C . 52729 1 89 . 1 . 1 21 21 LYS CA C 13 58.079351579 . . 1 . . . . . 21 LYS CA . 52729 1 90 . 1 . 1 21 21 LYS CB C 13 32.416793209 . . 1 . . . . . 21 LYS CB . 52729 1 91 . 1 . 1 21 21 LYS CG C 13 24.725176319 . . 1 . . . . . 21 LYS CG . 52729 1 92 . 1 . 1 21 21 LYS CD C 13 29.109411339 . . 1 . . . . . 21 LYS CD . 52729 1 93 . 1 . 1 21 21 LYS N N 15 119.697843681 0.0004719753366 . 1 . . . . . 21 LYS N . 52729 1 94 . 1 . 1 22 22 LYS H H 1 7.993416606 0.0005506157203 . 1 . . . . . 22 LYS H . 52729 1 95 . 1 . 1 22 22 LYS HA H 1 4.145609601 . . 1 . . . . . 22 LYS HA . 52729 1 96 . 1 . 1 22 22 LYS C C 13 178.690341949 . . 1 . . . . . 22 LYS C . 52729 1 97 . 1 . 1 22 22 LYS CA C 13 58.501244939 . . 1 . . . . . 22 LYS CA . 52729 1 98 . 1 . 1 22 22 LYS CB C 13 32.370749459 . . 1 . . . . . 22 LYS CB . 52729 1 99 . 1 . 1 22 22 LYS CG C 13 24.985190379 . . 1 . . . . . 22 LYS CG . 52729 1 100 . 1 . 1 22 22 LYS CD C 13 29.268815679 . . 1 . . . . . 22 LYS CD . 52729 1 101 . 1 . 1 22 22 LYS N N 15 120.981937581 0 . 1 . . . . . 22 LYS N . 52729 1 102 . 1 . 1 23 23 GLU H H 1 8.347880633 0.0004918590166 . 1 . . . . . 23 GLU H . 52729 1 103 . 1 . 1 23 23 GLU HA H 1 4.149440387 . . 1 . . . . . 23 GLU HA . 52729 1 104 . 1 . 1 23 23 GLU C C 13 178.794844249 . . 1 . . . . . 23 GLU C . 52729 1 105 . 1 . 1 23 23 GLU CA C 13 59.293201019 . . 1 . . . . . 23 GLU CA . 52729 1 106 . 1 . 1 23 23 GLU CB C 13 29.272537379 . . 1 . . . . . 23 GLU CB . 52729 1 107 . 1 . 1 23 23 GLU CG C 13 36.463498639 . . 1 . . . . . 23 GLU CG . 52729 1 108 . 1 . 1 23 23 GLU N N 15 119.860331781 0.0000013 . 1 . . . . . 23 GLU N . 52729 1 109 . 1 . 1 24 24 GLU H H 1 8.172402141 0.0007801732625 . 1 . . . . . 24 GLU H . 52729 1 110 . 1 . 1 24 24 GLU HA H 1 4.149198257 . . 1 . . . . . 24 GLU HA . 52729 1 111 . 1 . 1 24 24 GLU C C 13 178.520460149 . . 1 . . . . . 24 GLU C . 52729 1 112 . 1 . 1 24 24 GLU CA C 13 59.037156019 . . 1 . . . . . 24 GLU CA . 52729 1 113 . 1 . 1 24 24 GLU CB C 13 29.670659859 . . 1 . . . . . 24 GLU CB . 52729 1 114 . 1 . 1 24 24 GLU CG C 13 36.083015819 . . 1 . . . . . 24 GLU CG . 52729 1 115 . 1 . 1 24 24 GLU N N 15 120.499341681 0.0000013 . 1 . . . . . 24 GLU N . 52729 1 116 . 1 . 1 25 25 GLU H H 1 8.100419966 0.0004751432851 . 1 . . . . . 25 GLU H . 52729 1 117 . 1 . 1 25 25 GLU HA H 1 4.085693311 . . 1 . . . . . 25 GLU HA . 52729 1 118 . 1 . 1 25 25 GLU C C 13 179.326238249 . . 1 . . . . . 25 GLU C . 52729 1 119 . 1 . 1 25 25 GLU CA C 13 59.061893369 . . 1 . . . . . 25 GLU CA . 52729 1 120 . 1 . 1 25 25 GLU CB C 13 29.715275019 . . 1 . . . . . 25 GLU CB . 52729 1 121 . 1 . 1 25 25 GLU CG C 13 36.377842449 . . 1 . . . . . 25 GLU CG . 52729 1 122 . 1 . 1 25 25 GLU N N 15 119.817457981 0 . 1 . . . . . 25 GLU N . 52729 1 123 . 1 . 1 26 26 LEU H H 1 8.080816082 0.0002540600562 . 1 . . . . . 26 LEU H . 52729 1 124 . 1 . 1 26 26 LEU HA H 1 4.176054922 . . 1 . . . . . 26 LEU HA . 52729 1 125 . 1 . 1 26 26 LEU C C 13 179.480755849 . . 1 . . . . . 26 LEU C . 52729 1 126 . 1 . 1 26 26 LEU CA C 13 58.187725729 . . 1 . . . . . 26 LEU CA . 52729 1 127 . 1 . 1 26 26 LEU CB C 13 41.630348089 . . 1 . . . . . 26 LEU CB . 52729 1 128 . 1 . 1 26 26 LEU CG C 13 26.740003039 . . 1 . . . . . 26 LEU CG . 52729 1 129 . 1 . 1 26 26 LEU CD1 C 13 24.973479109 . . 1 . . . . . 26 LEU CD1 . 52729 1 130 . 1 . 1 26 26 LEU CD2 C 13 23.760466479 . . 1 . . . . . 26 LEU CD2 . 52729 1 131 . 1 . 1 26 26 LEU N N 15 121.130197281 0.0000058788 . 1 . . . . . 26 LEU N . 52729 1 132 . 1 . 1 27 27 ARG H H 1 8.085406042 0.000378629103 . 1 . . . . . 27 ARG H . 52729 1 133 . 1 . 1 27 27 ARG HA H 1 4.150467093 . . 1 . . . . . 27 ARG HA . 52729 1 134 . 1 . 1 27 27 ARG C C 13 179.018954149 . . 1 . . . . . 27 ARG C . 52729 1 135 . 1 . 1 27 27 ARG CA C 13 59.020180499 . . 1 . . . . . 27 ARG CA . 52729 1 136 . 1 . 1 27 27 ARG CB C 13 29.997570299 . . 1 . . . . . 27 ARG CB . 52729 1 137 . 1 . 1 27 27 ARG CG C 13 27.177620629 . . 1 . . . . . 27 ARG CG . 52729 1 138 . 1 . 1 27 27 ARG CD C 13 43.345331979 . . 1 . . . . . 27 ARG CD . 52729 1 139 . 1 . 1 27 27 ARG N N 15 120.447579081 0.003492432171 . 1 . . . . . 27 ARG N . 52729 1 140 . 1 . 1 28 28 LYS H H 1 8.151493777 0.0005033273139 . 1 . . . . . 28 LYS H . 52729 1 141 . 1 . 1 28 28 LYS HA H 1 4.090856298 . . 1 . . . . . 28 LYS HA . 52729 1 142 . 1 . 1 28 28 LYS C C 13 179.353839849 . . 1 . . . . . 28 LYS C . 52729 1 143 . 1 . 1 28 28 LYS CA C 13 59.241246219 . . 1 . . . . . 28 LYS CA . 52729 1 144 . 1 . 1 28 28 LYS CB C 13 32.296622229 . . 1 . . . . . 28 LYS CB . 52729 1 145 . 1 . 1 28 28 LYS CG C 13 25.384105229 . . 1 . . . . . 28 LYS CG . 52729 1 146 . 1 . 1 28 28 LYS CD C 13 29.191735939 . . 1 . . . . . 28 LYS CD . 52729 1 147 . 1 . 1 28 28 LYS N N 15 119.676569081 0.001163260642 . 1 . . . . . 28 LYS N . 52729 1 148 . 1 . 1 29 29 GLU H H 1 8.085008356 0.0006055421116 . 1 . . . . . 29 GLU H . 52729 1 149 . 1 . 1 29 29 GLU HA H 1 4.242220429 . . 1 . . . . . 29 GLU HA . 52729 1 150 . 1 . 1 29 29 GLU C C 13 178.714277749 . . 1 . . . . . 29 GLU C . 52729 1 151 . 1 . 1 29 29 GLU CA C 13 58.877182379 . . 1 . . . . . 29 GLU CA . 52729 1 152 . 1 . 1 29 29 GLU CB C 13 29.372671309 . . 1 . . . . . 29 GLU CB . 52729 1 153 . 1 . 1 29 29 GLU CG C 13 35.805677349 . . 1 . . . . . 29 GLU CG . 52729 1 154 . 1 . 1 29 29 GLU N N 15 120.950880181 0.0000013 . 1 . . . . . 29 GLU N . 52729 1 155 . 1 . 1 30 30 GLU H H 1 8.248164695 0.0005333799028 . 1 . . . . . 30 GLU H . 52729 1 156 . 1 . 1 30 30 GLU HA H 1 4.119705142 . . 1 . . . . . 30 GLU HA . 52729 1 157 . 1 . 1 30 30 GLU C C 13 179.413149449 . . 1 . . . . . 30 GLU C . 52729 1 158 . 1 . 1 30 30 GLU CA C 13 59.288197009 . . 1 . . . . . 30 GLU CA . 52729 1 159 . 1 . 1 30 30 GLU CB C 13 29.701297559 . . 1 . . . . . 30 GLU CB . 52729 1 160 . 1 . 1 30 30 GLU CG C 13 36.433953529 . . 1 . . . . . 30 GLU CG . 52729 1 161 . 1 . 1 30 30 GLU N N 15 120.607743581 0 . 1 . . . . . 30 GLU N . 52729 1 162 . 1 . 1 31 31 GLU H H 1 8.227583737 0.0002288830777 . 1 . . . . . 31 GLU H . 52729 1 163 . 1 . 1 31 31 GLU HA H 1 4.063539023 . . 1 . . . . . 31 GLU HA . 52729 1 164 . 1 . 1 31 31 GLU C C 13 179.196870449 . . 1 . . . . . 31 GLU C . 52729 1 165 . 1 . 1 31 31 GLU CA C 13 59.142389859 . . 1 . . . . . 31 GLU CA . 52729 1 166 . 1 . 1 31 31 GLU CB C 13 29.638141209 . . 1 . . . . . 31 GLU CB . 52729 1 167 . 1 . 1 31 31 GLU CG C 13 36.471898819 . . 1 . . . . . 31 GLU CG . 52729 1 168 . 1 . 1 31 31 GLU N N 15 119.781033481 0.001387776039 . 1 . . . . . 31 GLU N . 52729 1 169 . 1 . 1 32 32 ARG H H 1 8.120110755 0.000296638203 . 1 . . . . . 32 ARG H . 52729 1 170 . 1 . 1 32 32 ARG HA H 1 4.093940531 . . 1 . . . . . 32 ARG HA . 52729 1 171 . 1 . 1 32 32 ARG C C 13 178.889292949 . . 1 . . . . . 32 ARG C . 52729 1 172 . 1 . 1 32 32 ARG CA C 13 58.528161579 . . 1 . . . . . 32 ARG CA . 52729 1 173 . 1 . 1 32 32 ARG CB C 13 30.081447879 . . 1 . . . . . 32 ARG CB . 52729 1 174 . 1 . 1 32 32 ARG CG C 13 27.452906379 . . 1 . . . . . 32 ARG CG . 52729 1 175 . 1 . 1 32 32 ARG N N 15 121.286539581 0.001936921693 . 1 . . . . . 32 ARG N . 52729 1 176 . 1 . 1 33 33 LYS H H 1 8.110908917 0.001199394562 . 1 . . . . . 33 LYS H . 52729 1 177 . 1 . 1 33 33 LYS HA H 1 4.146437187 . . 1 . . . . . 33 LYS HA . 52729 1 178 . 1 . 1 33 33 LYS C C 13 178.443341049 . . 1 . . . . . 33 LYS C . 52729 1 179 . 1 . 1 33 33 LYS CA C 13 59.183575059 . . 1 . . . . . 33 LYS CA . 52729 1 180 . 1 . 1 33 33 LYS CB C 13 32.559547619 . . 1 . . . . . 33 LYS CB . 52729 1 181 . 1 . 1 33 33 LYS CG C 13 25.419990119 . . 1 . . . . . 33 LYS CG . 52729 1 182 . 1 . 1 33 33 LYS CD C 13 29.402599959 . . 1 . . . . . 33 LYS CD . 52729 1 183 . 1 . 1 33 33 LYS N N 15 120.308470381 0.001947430976 . 1 . . . . . 33 LYS N . 52729 1 184 . 1 . 1 34 34 LYS H H 1 8.032552294 0.0002412453505 . 1 . . . . . 34 LYS H . 52729 1 185 . 1 . 1 34 34 LYS HA H 1 4.165962766 . . 1 . . . . . 34 LYS HA . 52729 1 186 . 1 . 1 34 34 LYS C C 13 178.473181649 . . 1 . . . . . 34 LYS C . 52729 1 187 . 1 . 1 34 34 LYS CA C 13 58.956153979 . . 1 . . . . . 34 LYS CA . 52729 1 188 . 1 . 1 34 34 LYS CB C 13 32.580159469 . . 1 . . . . . 34 LYS CB . 52729 1 189 . 1 . 1 34 34 LYS CG C 13 25.121746059 . . 1 . . . . . 34 LYS CG . 52729 1 190 . 1 . 1 34 34 LYS CD C 13 29.447400029 . . 1 . . . . . 34 LYS CD . 52729 1 191 . 1 . 1 34 34 LYS N N 15 119.868169781 0 . 1 . . . . . 34 LYS N . 52729 1 192 . 1 . 1 35 35 ALA H H 1 7.882201349 0.0004969662855 . 1 . . . . . 35 ALA H . 52729 1 193 . 1 . 1 35 35 ALA HA H 1 4.239995719 . . 1 . . . . . 35 ALA HA . 52729 1 194 . 1 . 1 35 35 ALA C C 13 180.162045149 . . 1 . . . . . 35 ALA C . 52729 1 195 . 1 . 1 35 35 ALA CA C 13 54.352269809 . . 1 . . . . . 35 ALA CA . 52729 1 196 . 1 . 1 35 35 ALA CB C 13 18.330983409 . . 1 . . . . . 35 ALA CB . 52729 1 197 . 1 . 1 35 35 ALA N N 15 121.440893581 0 . 1 . . . . . 35 ALA N . 52729 1 198 . 1 . 1 36 36 LEU H H 1 7.947852404 0.000178210472 . 1 . . . . . 36 LEU H . 52729 1 199 . 1 . 1 36 36 LEU HA H 1 4.200803752 . . 1 . . . . . 36 LEU HA . 52729 1 200 . 1 . 1 36 36 LEU C C 13 178.507555149 . . 1 . . . . . 36 LEU C . 52729 1 201 . 1 . 1 36 36 LEU CA C 13 57.538429269 . . 1 . . . . . 36 LEU CA . 52729 1 202 . 1 . 1 36 36 LEU CB C 13 41.856137039 . . 1 . . . . . 36 LEU CB . 52729 1 203 . 1 . 1 36 36 LEU CG C 13 26.925355009 . . 1 . . . . . 36 LEU CG . 52729 1 204 . 1 . 1 36 36 LEU CD1 C 13 24.283131229 . . 2 . . . . . 36 LEU CD1 . 52729 1 205 . 1 . 1 36 36 LEU N N 15 120.977418081 0.0003536319011 . 1 . . . . . 36 LEU N . 52729 1 206 . 1 . 1 37 37 ASP H H 1 8.285023698 0.000464075104 . 1 . . . . . 37 ASP H . 52729 1 207 . 1 . 1 37 37 ASP HA H 1 4.450748209 . . 1 . . . . . 37 ASP HA . 52729 1 208 . 1 . 1 37 37 ASP C C 13 178.835185049 . . 1 . . . . . 37 ASP C . 52729 1 209 . 1 . 1 37 37 ASP CA C 13 56.714781119 . . 1 . . . . . 37 ASP CA . 52729 1 210 . 1 . 1 37 37 ASP CB C 13 40.753040339 . . 1 . . . . . 37 ASP CB . 52729 1 211 . 1 . 1 37 37 ASP N N 15 120.344193581 0.0000013 . 1 . . . . . 37 ASP N . 52729 1 212 . 1 . 1 38 38 GLU H H 1 8.234964300 0.0005828393429 . 1 . . . . . 38 GLU H . 52729 1 213 . 1 . 1 38 38 GLU HA H 1 4.205760498 . . 1 . . . . . 38 GLU HA . 52729 1 214 . 1 . 1 38 38 GLU C C 13 178.283513349 . . 1 . . . . . 38 GLU C . 52729 1 215 . 1 . 1 38 38 GLU CA C 13 59.096426169 . . 1 . . . . . 38 GLU CA . 52729 1 216 . 1 . 1 38 38 GLU CB C 13 29.626407609 . . 1 . . . . . 38 GLU CB . 52729 1 217 . 1 . 1 38 38 GLU CG C 13 36.453871429 . . 1 . . . . . 38 GLU CG . 52729 1 218 . 1 . 1 38 38 GLU N N 15 120.525424481 0.0000013 . 1 . . . . . 38 GLU N . 52729 1 219 . 1 . 1 39 39 ARG H H 1 8.013582243 0.001737111012 . 1 . . . . . 39 ARG H . 52729 1 220 . 1 . 1 39 39 ARG HA H 1 4.206794359 . . 1 . . . . . 39 ARG HA . 52729 1 221 . 1 . 1 39 39 ARG C C 13 178.785490749 . . 1 . . . . . 39 ARG C . 52729 1 222 . 1 . 1 39 39 ARG CA C 13 59.138399889 . . 1 . . . . . 39 ARG CA . 52729 1 223 . 1 . 1 39 39 ARG CB C 13 29.724938349 . . 1 . . . . . 39 ARG CB . 52729 1 224 . 1 . 1 39 39 ARG CG C 13 27.211762989 . . 1 . . . . . 39 ARG CG . 52729 1 225 . 1 . 1 39 39 ARG CD C 13 43.359847949 . . 1 . . . . . 39 ARG CD . 52729 1 226 . 1 . 1 39 39 ARG N N 15 120.404758681 0.0002222286262 . 1 . . . . . 39 ARG N . 52729 1 227 . 1 . 1 40 40 LEU H H 1 8.234709230 0.001584853418 . 1 . . . . . 40 LEU H . 52729 1 228 . 1 . 1 40 40 LEU HA H 1 4.191006060 . . 1 . . . . . 40 LEU HA . 52729 1 229 . 1 . 1 40 40 LEU C C 13 179.575258049 . . 1 . . . . . 40 LEU C . 52729 1 230 . 1 . 1 40 40 LEU CA C 13 57.668866989 . . 1 . . . . . 40 LEU CA . 52729 1 231 . 1 . 1 40 40 LEU CB C 13 41.517709039 . . 1 . . . . . 40 LEU CB . 52729 1 232 . 1 . 1 40 40 LEU CG C 13 26.798787669 . . 1 . . . . . 40 LEU CG . 52729 1 233 . 1 . 1 40 40 LEU CD1 C 13 24.927328189 . . 1 . . . . . 40 LEU CD1 . 52729 1 234 . 1 . 1 40 40 LEU CD2 C 13 23.348284249 . . 1 . . . . . 40 LEU CD2 . 52729 1 235 . 1 . 1 40 40 LEU N N 15 119.950817181 0.0000013 . 1 . . . . . 40 LEU N . 52729 1 236 . 1 . 1 41 41 ARG H H 1 8.012891340 0.0005486006389 . 1 . . . . . 41 ARG H . 52729 1 237 . 1 . 1 41 41 ARG HA H 1 4.118599266 . . 1 . . . . . 41 ARG HA . 52729 1 238 . 1 . 1 41 41 ARG C C 13 178.498422649 . . 1 . . . . . 41 ARG C . 52729 1 239 . 1 . 1 41 41 ARG CA C 13 59.234678709 . . 1 . . . . . 41 ARG CA . 52729 1 240 . 1 . 1 41 41 ARG CB C 13 29.861976159 . . 1 . . . . . 41 ARG CB . 52729 1 241 . 1 . 1 41 41 ARG CG C 13 27.311295839 . . 1 . . . . . 41 ARG CG . 52729 1 242 . 1 . 1 41 41 ARG CD C 13 43.404493769 . . 1 . . . . . 41 ARG CD . 52729 1 243 . 1 . 1 41 41 ARG N N 15 120.203984181 0.00225985963 . 1 . . . . . 41 ARG N . 52729 1 244 . 1 . 1 42 42 PHE H H 1 8.212963008 0.001062905363 . 1 . . . . . 42 PHE H . 52729 1 245 . 1 . 1 42 42 PHE HA H 1 4.436920835 . . 1 . . . . . 42 PHE HA . 52729 1 246 . 1 . 1 42 42 PHE C C 13 178.187836849 . . 1 . . . . . 42 PHE C . 52729 1 247 . 1 . 1 42 42 PHE CA C 13 60.579255529 . . 1 . . . . . 42 PHE CA . 52729 1 248 . 1 . 1 42 42 PHE CB C 13 38.817795139 . . 1 . . . . . 42 PHE CB . 52729 1 249 . 1 . 1 42 42 PHE N N 15 119.877404781 0.0000013 . 1 . . . . . 42 PHE N . 52729 1 250 . 1 . 1 43 43 GLU H H 1 8.376488893 0.0008775639925 . 1 . . . . . 43 GLU H . 52729 1 251 . 1 . 1 43 43 GLU HA H 1 4.120213700 . . 1 . . . . . 43 GLU HA . 52729 1 252 . 1 . 1 43 43 GLU C C 13 178.859721749 . . 1 . . . . . 43 GLU C . 52729 1 253 . 1 . 1 43 43 GLU CA C 13 59.081506119 . . 1 . . . . . 43 GLU CA . 52729 1 254 . 1 . 1 43 43 GLU CB C 13 29.685662079 . . 1 . . . . . 43 GLU CB . 52729 1 255 . 1 . 1 43 43 GLU CG C 13 36.501804729 . . 1 . . . . . 43 GLU CG . 52729 1 256 . 1 . 1 43 43 GLU N N 15 119.941949581 0 . 1 . . . . . 43 GLU N . 52729 1 257 . 1 . 1 44 44 GLN H H 1 8.260424272 0.00103436425 . 1 . . . . . 44 GLN H . 52729 1 258 . 1 . 1 44 44 GLN HA H 1 4.090328026 . . 1 . . . . . 44 GLN HA . 52729 1 259 . 1 . 1 44 44 GLN C C 13 178.677669749 . . 1 . . . . . 44 GLN C . 52729 1 260 . 1 . 1 44 44 GLN CA C 13 58.896894699 . . 1 . . . . . 44 GLN CA . 52729 1 261 . 1 . 1 44 44 GLN CB C 13 28.259480879 . . 1 . . . . . 44 GLN CB . 52729 1 262 . 1 . 1 44 44 GLN CG C 13 33.906541329 . . 1 . . . . . 44 GLN CG . 52729 1 263 . 1 . 1 44 44 GLN N N 15 119.871655081 0.0000013 . 1 . . . . . 44 GLN N . 52729 1 264 . 1 . 1 45 45 GLU H H 1 8.324169644 0.0005075036421 . 1 . . . . . 45 GLU H . 52729 1 265 . 1 . 1 45 45 GLU HA H 1 4.081468894 . . 1 . . . . . 45 GLU HA . 52729 1 266 . 1 . 1 45 45 GLU C C 13 179.050299649 . . 1 . . . . . 45 GLU C . 52729 1 267 . 1 . 1 45 45 GLU CA C 13 59.325845239 . . 1 . . . . . 45 GLU CA . 52729 1 268 . 1 . 1 45 45 GLU CB C 13 29.357698039 . . 1 . . . . . 45 GLU CB . 52729 1 269 . 1 . 1 45 45 GLU CG C 13 36.662730559 . . 1 . . . . . 45 GLU CG . 52729 1 270 . 1 . 1 45 45 GLU N N 15 120.460780881 0 . 1 . . . . . 45 GLU N . 52729 1 271 . 1 . 1 46 46 ARG H H 1 8.119214961 0.0005592265835 . 1 . . . . . 46 ARG H . 52729 1 272 . 1 . 1 46 46 ARG HA H 1 4.056735029 . . 1 . . . . . 46 ARG HA . 52729 1 273 . 1 . 1 46 46 ARG C C 13 178.700521049 . . 1 . . . . . 46 ARG C . 52729 1 274 . 1 . 1 46 46 ARG CA C 13 58.766782919 . . 1 . . . . . 46 ARG CA . 52729 1 275 . 1 . 1 46 46 ARG CB C 13 29.725269259 . . 1 . . . . . 46 ARG CB . 52729 1 276 . 1 . 1 46 46 ARG CG C 13 26.469482139 . . 1 . . . . . 46 ARG CG . 52729 1 277 . 1 . 1 46 46 ARG CD C 13 43.069672859 . . 1 . . . . . 46 ARG CD . 52729 1 278 . 1 . 1 46 46 ARG N N 15 120.850976581 0.001593086042 . 1 . . . . . 46 ARG N . 52729 1 279 . 1 . 1 47 47 MET H H 1 8.137520768 0.000930354273 . 1 . . . . . 47 MET H . 52729 1 280 . 1 . 1 47 47 MET HA H 1 4.205369186 . . 1 . . . . . 47 MET HA . 52729 1 281 . 1 . 1 47 47 MET C C 13 178.992620949 . . 1 . . . . . 47 MET C . 52729 1 282 . 1 . 1 47 47 MET CA C 13 58.695896939 . . 1 . . . . . 47 MET CA . 52729 1 283 . 1 . 1 47 47 MET CB C 13 32.253230009 . . 1 . . . . . 47 MET CB . 52729 1 284 . 1 . 1 47 47 MET CG C 13 31.305443809 . . 1 . . . . . 47 MET CG . 52729 1 285 . 1 . 1 47 47 MET N N 15 118.950644181 0.0000019 . 1 . . . . . 47 MET N . 52729 1 286 . 1 . 1 48 48 GLU H H 1 8.125397457 0.0005535105419 . 1 . . . . . 48 GLU H . 52729 1 287 . 1 . 1 48 48 GLU HA H 1 4.217853232 . . 1 . . . . . 48 GLU HA . 52729 1 288 . 1 . 1 48 48 GLU C C 13 178.685610749 . . 1 . . . . . 48 GLU C . 52729 1 289 . 1 . 1 48 48 GLU CA C 13 58.881970879 . . 1 . . . . . 48 GLU CA . 52729 1 290 . 1 . 1 48 48 GLU CB C 13 29.109163729 . . 1 . . . . . 48 GLU CB . 52729 1 291 . 1 . 1 48 48 GLU CG C 13 35.958252159 . . 1 . . . . . 48 GLU CG . 52729 1 292 . 1 . 1 48 48 GLU N N 15 120.849383481 0 . 1 . . . . . 48 GLU N . 52729 1 293 . 1 . 1 49 49 GLN H H 1 8.155889834 0.0006105878515 . 1 . . . . . 49 GLN H . 52729 1 294 . 1 . 1 49 49 GLN HA H 1 4.094620618 . . 1 . . . . . 49 GLN HA . 52729 1 295 . 1 . 1 49 49 GLN C C 13 178.706576649 . . 1 . . . . . 49 GLN C . 52729 1 296 . 1 . 1 49 49 GLN CA C 13 58.900960299 . . 1 . . . . . 49 GLN CA . 52729 1 297 . 1 . 1 49 49 GLN CB C 13 28.092631379 . . 1 . . . . . 49 GLN CB . 52729 1 298 . 1 . 1 49 49 GLN CG C 13 33.609874109 . . 1 . . . . . 49 GLN CG . 52729 1 299 . 1 . 1 49 49 GLN N N 15 120.507003881 0.0000013 . 1 . . . . . 49 GLN N . 52729 1 300 . 1 . 1 50 50 GLU H H 1 8.308110870 0.00062618586 . 1 . . . . . 50 GLU H . 52729 1 301 . 1 . 1 50 50 GLU HA H 1 4.096121503 . . 1 . . . . . 50 GLU HA . 52729 1 302 . 1 . 1 50 50 GLU C C 13 179.106256349 . . 1 . . . . . 50 GLU C . 52729 1 303 . 1 . 1 50 50 GLU CA C 13 59.316259279 . . 1 . . . . . 50 GLU CA . 52729 1 304 . 1 . 1 50 50 GLU CB C 13 29.369027279 . . 1 . . . . . 50 GLU CB . 52729 1 305 . 1 . 1 50 50 GLU CG C 13 36.670266509 . . 1 . . . . . 50 GLU CG . 52729 1 306 . 1 . 1 50 50 GLU N N 15 119.854306681 0 . 1 . . . . . 50 GLU N . 52729 1 307 . 1 . 1 51 51 ARG H H 1 8.111777513 0.0004584769284 . 1 . . . . . 51 ARG H . 52729 1 308 . 1 . 1 51 51 ARG HA H 1 4.122714900 . . 1 . . . . . 51 ARG HA . 52729 1 309 . 1 . 1 51 51 ARG C C 13 178.897305349 . . 1 . . . . . 51 ARG C . 52729 1 310 . 1 . 1 51 51 ARG CA C 13 59.285056849 . . 1 . . . . . 51 ARG CA . 52729 1 311 . 1 . 1 51 51 ARG CB C 13 29.975224319 . . 1 . . . . . 51 ARG CB . 52729 1 312 . 1 . 1 51 51 ARG CG C 13 27.098152489 . . 1 . . . . . 51 ARG CG . 52729 1 313 . 1 . 1 51 51 ARG CD C 13 43.308193769 . . 1 . . . . . 51 ARG CD . 52729 1 314 . 1 . 1 51 51 ARG N N 15 120.871781081 0.0007896607623 . 1 . . . . . 51 ARG N . 52729 1 315 . 1 . 1 52 52 GLN H H 1 8.210530873 0.0002994765608 . 1 . . . . . 52 GLN H . 52729 1 316 . 1 . 1 52 52 GLN HA H 1 4.090303342 . . 1 . . . . . 52 GLN HA . 52729 1 317 . 1 . 1 52 52 GLN C C 13 178.884369449 . . 1 . . . . . 52 GLN C . 52729 1 318 . 1 . 1 52 52 GLN CA C 13 58.951433209 . . 1 . . . . . 52 GLN CA . 52729 1 319 . 1 . 1 52 52 GLN CB C 13 28.240453759 . . 1 . . . . . 52 GLN CB . 52729 1 320 . 1 . 1 52 52 GLN CG C 13 33.941544409 . . 1 . . . . . 52 GLN CG . 52729 1 321 . 1 . 1 52 52 GLN N N 15 119.476598581 0 . 1 . . . . . 52 GLN N . 52729 1 322 . 1 . 1 53 53 GLU H H 1 8.305999799 0.00087995343 . 1 . . . . . 53 GLU H . 52729 1 323 . 1 . 1 53 53 GLU HA H 1 4.110526213 . . 1 . . . . . 53 GLU HA . 52729 1 324 . 1 . 1 53 53 GLU C C 13 179.238513649 . . 1 . . . . . 53 GLU C . 52729 1 325 . 1 . 1 53 53 GLU CA C 13 59.345137149 . . 1 . . . . . 53 GLU CA . 52729 1 326 . 1 . 1 53 53 GLU CB C 13 29.345261379 . . 1 . . . . . 53 GLU CB . 52729 1 327 . 1 . 1 53 53 GLU CG C 13 36.503163599 . . 1 . . . . . 53 GLU CG . 52729 1 328 . 1 . 1 53 53 GLU N N 15 120.345107981 0 . 1 . . . . . 53 GLU N . 52729 1 329 . 1 . 1 54 54 GLN H H 1 8.192946859 0.0006356446121 . 1 . . . . . 54 GLN H . 52729 1 330 . 1 . 1 54 54 GLN HA H 1 4.049117559 . . 1 . . . . . 54 GLN HA . 52729 1 331 . 1 . 1 54 54 GLN C C 13 178.182260149 . . 1 . . . . . 54 GLN C . 52729 1 332 . 1 . 1 54 54 GLN CA C 13 58.859933259 . . 1 . . . . . 54 GLN CA . 52729 1 333 . 1 . 1 54 54 GLN CB C 13 27.812863259 . . 1 . . . . . 54 GLN CB . 52729 1 334 . 1 . 1 54 54 GLN CG C 13 33.250204419 . . 1 . . . . . 54 GLN CG . 52729 1 335 . 1 . 1 54 54 GLN N N 15 120.412553581 0.001420409455 . 1 . . . . . 54 GLN N . 52729 1 336 . 1 . 1 55 55 GLU H H 1 8.331877229 0.0003362277883 . 1 . . . . . 55 GLU H . 52729 1 337 . 1 . 1 55 55 GLU HA H 1 4.115232123 . . 1 . . . . . 55 GLU HA . 52729 1 338 . 1 . 1 55 55 GLU C C 13 179.380518049 . . 1 . . . . . 55 GLU C . 52729 1 339 . 1 . 1 55 55 GLU CA C 13 59.327799349 . . 1 . . . . . 55 GLU CA . 52729 1 340 . 1 . 1 55 55 GLU CB C 13 29.476701239 . . 1 . . . . . 55 GLU CB . 52729 1 341 . 1 . 1 55 55 GLU CG C 13 36.534774099 . . 1 . . . . . 55 GLU CG . 52729 1 342 . 1 . 1 55 55 GLU N N 15 120.160656481 0 . 1 . . . . . 55 GLU N . 52729 1 343 . 1 . 1 56 56 GLU H H 1 8.105940354 0.0005346937574 . 1 . . . . . 56 GLU H . 52729 1 344 . 1 . 1 56 56 GLU HA H 1 4.180435906 . . 1 . . . . . 56 GLU HA . 52729 1 345 . 1 . 1 56 56 GLU C C 13 178.442874849 . . 1 . . . . . 56 GLU C . 52729 1 346 . 1 . 1 56 56 GLU CA C 13 58.925030339 . . 1 . . . . . 56 GLU CA . 52729 1 347 . 1 . 1 56 56 GLU CB C 13 29.055581769 . . 1 . . . . . 56 GLU CB . 52729 1 348 . 1 . 1 56 56 GLU CG C 13 35.825183119 . . 1 . . . . . 56 GLU CG . 52729 1 349 . 1 . 1 56 56 GLU N N 15 120.310584581 0 . 1 . . . . . 56 GLU N . 52729 1 350 . 1 . 1 57 57 ARG H H 1 8.071013918 0.0003994178716 . 1 . . . . . 57 ARG H . 52729 1 351 . 1 . 1 57 57 ARG HA H 1 3.978262690 . . 1 . . . . . 57 ARG HA . 52729 1 352 . 1 . 1 57 57 ARG C C 13 179.157162049 . . 1 . . . . . 57 ARG C . 52729 1 353 . 1 . 1 57 57 ARG CA C 13 59.669890489 . . 1 . . . . . 57 ARG CA . 52729 1 354 . 1 . 1 57 57 ARG CB C 13 30.333040379 . . 1 . . . . . 57 ARG CB . 52729 1 355 . 1 . 1 57 57 ARG CG C 13 27.942752059 . . 1 . . . . . 57 ARG CG . 52729 1 356 . 1 . 1 57 57 ARG CD C 13 43.708568069 . . 1 . . . . . 57 ARG CD . 52729 1 357 . 1 . 1 57 57 ARG N N 15 120.153620881 0.0000013 . 1 . . . . . 57 ARG N . 52729 1 358 . 1 . 1 58 58 GLU H H 1 8.179077962 0.0002006365298 . 1 . . . . . 58 GLU H . 52729 1 359 . 1 . 1 58 58 GLU HA H 1 4.122377169 . . 1 . . . . . 58 GLU HA . 52729 1 360 . 1 . 1 58 58 GLU C C 13 178.726251949 . . 1 . . . . . 58 GLU C . 52729 1 361 . 1 . 1 58 58 GLU CA C 13 59.069313869 . . 1 . . . . . 58 GLU CA . 52729 1 362 . 1 . 1 58 58 GLU CB C 13 29.903132079 . . 1 . . . . . 58 GLU CB . 52729 1 363 . 1 . 1 58 58 GLU CG C 13 36.397386779 . . 1 . . . . . 58 GLU CG . 52729 1 364 . 1 . 1 58 58 GLU N N 15 119.093296481 0.0000019 . 1 . . . . . 58 GLU N . 52729 1 365 . 1 . 1 59 59 ARG H H 1 8.107060108 0.001531086711 . 1 . . . . . 59 ARG H . 52729 1 366 . 1 . 1 59 59 ARG HA H 1 4.043603612 . . 1 . . . . . 59 ARG HA . 52729 1 367 . 1 . 1 59 59 ARG C C 13 178.630594849 . . 1 . . . . . 59 ARG C . 52729 1 368 . 1 . 1 59 59 ARG CA C 13 59.398669399 . . 1 . . . . . 59 ARG CA . 52729 1 369 . 1 . 1 59 59 ARG CB C 13 30.160342619 . . 1 . . . . . 59 ARG CB . 52729 1 370 . 1 . 1 59 59 ARG CG C 13 27.412551959 . . 1 . . . . . 59 ARG CG . 52729 1 371 . 1 . 1 59 59 ARG CD C 13 43.504196909 . . 1 . . . . . 59 ARG CD . 52729 1 372 . 1 . 1 59 59 ARG N N 15 120.539671381 0.001018206229 . 1 . . . . . 59 ARG N . 52729 1 373 . 1 . 1 60 60 ARG H H 1 8.140479384 0.0002912939911 . 1 . . . . . 60 ARG H . 52729 1 374 . 1 . 1 60 60 ARG HA H 1 4.104094516 . . 1 . . . . . 60 ARG HA . 52729 1 375 . 1 . 1 60 60 ARG C C 13 178.742998849 . . 1 . . . . . 60 ARG C . 52729 1 376 . 1 . 1 60 60 ARG CA C 13 58.773428729 . . 1 . . . . . 60 ARG CA . 52729 1 377 . 1 . 1 60 60 ARG CB C 13 30.088123209 . . 1 . . . . . 60 ARG CB . 52729 1 378 . 1 . 1 60 60 ARG CG C 13 27.486158489 . . 1 . . . . . 60 ARG CG . 52729 1 379 . 1 . 1 60 60 ARG CD C 13 43.541858059 . . 1 . . . . . 60 ARG CD . 52729 1 380 . 1 . 1 60 60 ARG N N 15 118.575713181 0.0000013 . 1 . . . . . 60 ARG N . 52729 1 381 . 1 . 1 61 61 TYR H H 1 8.056998830 0.0006028879206 . 1 . . . . . 61 TYR H . 52729 1 382 . 1 . 1 61 61 TYR HA H 1 4.370389845 . . 1 . . . . . 61 TYR HA . 52729 1 383 . 1 . 1 61 61 TYR C C 13 177.648731749 . . 1 . . . . . 61 TYR C . 52729 1 384 . 1 . 1 61 61 TYR CA C 13 60.199391359 . . 1 . . . . . 61 TYR CA . 52729 1 385 . 1 . 1 61 61 TYR CB C 13 37.943958859 . . 1 . . . . . 61 TYR CB . 52729 1 386 . 1 . 1 61 61 TYR N N 15 119.965120781 0.0000013 . 1 . . . . . 61 TYR N . 52729 1 387 . 1 . 1 62 62 ARG H H 1 8.140692354 0.0008052762571 . 1 . . . . . 62 ARG H . 52729 1 388 . 1 . 1 62 62 ARG HA H 1 4.129542018 . . 1 . . . . . 62 ARG HA . 52729 1 389 . 1 . 1 62 62 ARG C C 13 178.248637649 . . 1 . . . . . 62 ARG C . 52729 1 390 . 1 . 1 62 62 ARG CA C 13 58.354672659 . . 1 . . . . . 62 ARG CA . 52729 1 391 . 1 . 1 62 62 ARG CB C 13 30.412944119 . . 1 . . . . . 62 ARG CB . 52729 1 392 . 1 . 1 62 62 ARG CG C 13 27.577219869 . . 1 . . . . . 62 ARG CG . 52729 1 393 . 1 . 1 62 62 ARG CD C 13 43.607133739 . . 1 . . . . . 62 ARG CD . 52729 1 394 . 1 . 1 62 62 ARG N N 15 119.866726581 0.0002609898393 . 1 . . . . . 62 ARG N . 52729 1 395 . 1 . 1 63 63 GLU H H 1 8.174869153 0.0009316864543 . 1 . . . . . 63 GLU H . 52729 1 396 . 1 . 1 63 63 GLU HA H 1 4.141348640 . . 1 . . . . . 63 GLU HA . 52729 1 397 . 1 . 1 63 63 GLU C C 13 177.905214249 . . 1 . . . . . 63 GLU C . 52729 1 398 . 1 . 1 63 63 GLU CA C 13 58.209149759 . . 1 . . . . . 63 GLU CA . 52729 1 399 . 1 . 1 63 63 GLU CB C 13 29.865891869 . . 1 . . . . . 63 GLU CB . 52729 1 400 . 1 . 1 63 63 GLU CG C 13 36.609309409 . . 1 . . . . . 63 GLU CG . 52729 1 401 . 1 . 1 63 63 GLU N N 15 119.426691581 0.0000013 . 1 . . . . . 63 GLU N . 52729 1 402 . 1 . 1 64 64 ARG H H 1 7.877275170 0.0005722837716 . 1 . . . . . 64 ARG H . 52729 1 403 . 1 . 1 64 64 ARG HA H 1 4.184724266 . . 1 . . . . . 64 ARG HA . 52729 1 404 . 1 . 1 64 64 ARG C C 13 177.553705849 . . 1 . . . . . 64 ARG C . 52729 1 405 . 1 . 1 64 64 ARG CA C 13 57.715943709 . . 1 . . . . . 64 ARG CA . 52729 1 406 . 1 . 1 64 64 ARG CB C 13 30.134799419 . . 1 . . . . . 64 ARG CB . 52729 1 407 . 1 . 1 64 64 ARG CG C 13 27.112353069 . . 1 . . . . . 64 ARG CG . 52729 1 408 . 1 . 1 64 64 ARG CD C 13 43.475569579 . . 1 . . . . . 64 ARG CD . 52729 1 409 . 1 . 1 64 64 ARG N N 15 119.768319181 0 . 1 . . . . . 64 ARG N . 52729 1 410 . 1 . 1 65 65 GLU H H 1 8.141926944 0.0006713235763 . 1 . . . . . 65 GLU H . 52729 1 411 . 1 . 1 65 65 GLU HA H 1 4.118418882 . . 1 . . . . . 65 GLU HA . 52729 1 412 . 1 . 1 65 65 GLU C C 13 177.581502149 . . 1 . . . . . 65 GLU C . 52729 1 413 . 1 . 1 65 65 GLU CA C 13 57.826325279 . . 1 . . . . . 65 GLU CA . 52729 1 414 . 1 . 1 65 65 GLU CB C 13 29.914545019 . . 1 . . . . . 65 GLU CB . 52729 1 415 . 1 . 1 65 65 GLU CG C 13 36.401283339 . . 1 . . . . . 65 GLU CG . 52729 1 416 . 1 . 1 65 65 GLU N N 15 119.871584081 0.01516579364 . 1 . . . . . 65 GLU N . 52729 1 417 . 1 . 1 66 66 GLN H H 1 8.126254629 0.0003385603637 . 1 . . . . . 66 GLN H . 52729 1 418 . 1 . 1 66 66 GLN HA H 1 4.230127686 . . 1 . . . . . 66 GLN HA . 52729 1 419 . 1 . 1 66 66 GLN C C 13 176.696668949 . . 1 . . . . . 66 GLN C . 52729 1 420 . 1 . 1 66 66 GLN CA C 13 56.970722679 . . 1 . . . . . 66 GLN CA . 52729 1 421 . 1 . 1 66 66 GLN CB C 13 29.085321069 . . 1 . . . . . 66 GLN CB . 52729 1 422 . 1 . 1 66 66 GLN CG C 13 33.970894459 . . 1 . . . . . 66 GLN CG . 52729 1 423 . 1 . 1 66 66 GLN N N 15 119.366323781 0.0000013 . 1 . . . . . 66 GLN N . 52729 1 424 . 1 . 1 67 67 GLN H H 1 8.148084262 0.00049685315 . 1 . . . . . 67 GLN H . 52729 1 425 . 1 . 1 67 67 GLN HA H 1 4.284253064 . . 1 . . . . . 67 GLN HA . 52729 1 426 . 1 . 1 67 67 GLN C C 13 176.818902849 . . 1 . . . . . 67 GLN C . 52729 1 427 . 1 . 1 67 67 GLN CA C 13 56.761575549 . . 1 . . . . . 67 GLN CA . 52729 1 428 . 1 . 1 67 67 GLN CB C 13 29.068529039 . . 1 . . . . . 67 GLN CB . 52729 1 429 . 1 . 1 67 67 GLN CG C 13 33.974011939 . . 1 . . . . . 67 GLN CG . 52729 1 430 . 1 . 1 67 67 GLN N N 15 120.313709081 0.001597713896 . 1 . . . . . 67 GLN N . 52729 1 431 . 1 . 1 68 68 ILE H H 1 8.067941479 0.0005089215605 . 1 . . . . . 68 ILE H . 52729 1 432 . 1 . 1 68 68 ILE HA H 1 4.027067907 . . 1 . . . . . 68 ILE HA . 52729 1 433 . 1 . 1 68 68 ILE C C 13 177.050422549 . . 1 . . . . . 68 ILE C . 52729 1 434 . 1 . 1 68 68 ILE CA C 13 62.327850369 . . 1 . . . . . 68 ILE CA . 52729 1 435 . 1 . 1 68 68 ILE CB C 13 38.561444469 . . 1 . . . . . 68 ILE CB . 52729 1 436 . 1 . 1 68 68 ILE CG1 C 13 27.898102449 . . 1 . . . . . 68 ILE CG1 . 52729 1 437 . 1 . 1 68 68 ILE CG2 C 13 17.468598309 . . 1 . . . . . 68 ILE CG2 . 52729 1 438 . 1 . 1 68 68 ILE CD1 C 13 13.073269069 . . 1 . . . . . 68 ILE CD1 . 52729 1 439 . 1 . 1 68 68 ILE N N 15 121.320127481 0.009870653658 . 1 . . . . . 68 ILE N . 52729 1 440 . 1 . 1 69 69 GLU H H 1 8.305207068 0.0009524263845 . 1 . . . . . 69 GLU H . 52729 1 441 . 1 . 1 69 69 GLU HA H 1 4.187188167 . . 1 . . . . . 69 GLU HA . 52729 1 442 . 1 . 1 69 69 GLU C C 13 177.237660549 . . 1 . . . . . 69 GLU C . 52729 1 443 . 1 . 1 69 69 GLU CA C 13 57.423873559 . . 1 . . . . . 69 GLU CA . 52729 1 444 . 1 . 1 69 69 GLU CB C 13 29.986420749 . . 1 . . . . . 69 GLU CB . 52729 1 445 . 1 . 1 69 69 GLU CG C 13 36.128286239 . . 1 . . . . . 69 GLU CG . 52729 1 446 . 1 . 1 69 69 GLU N N 15 123.600668581 0 . 1 . . . . . 69 GLU N . 52729 1 447 . 1 . 1 70 70 GLU H H 1 8.353360875 0.0006013787765 . 1 . . . . . 70 GLU H . 52729 1 448 . 1 . 1 70 70 GLU HA H 1 4.117483927 . . 1 . . . . . 70 GLU HA . 52729 1 449 . 1 . 1 70 70 GLU C C 13 176.999643949 . . 1 . . . . . 70 GLU C . 52729 1 450 . 1 . 1 70 70 GLU CA C 13 57.633591479 . . 1 . . . . . 70 GLU CA . 52729 1 451 . 1 . 1 70 70 GLU CB C 13 30.048013759 . . 1 . . . . . 70 GLU CB . 52729 1 452 . 1 . 1 70 70 GLU CG C 13 36.275545059 . . 1 . . . . . 70 GLU CG . 52729 1 453 . 1 . 1 70 70 GLU N N 15 121.165564981 0.000674825499 . 1 . . . . . 70 GLU N . 52729 1 454 . 1 . 1 71 71 HIS H H 1 8.224886560 0.0005837891544 . 1 . . . . . 71 HIS H . 52729 1 455 . 1 . 1 71 71 HIS HA H 1 4.635070661 . . 1 . . . . . 71 HIS HA . 52729 1 456 . 1 . 1 71 71 HIS C C 13 175.166743049 . . 1 . . . . . 71 HIS C . 52729 1 457 . 1 . 1 71 71 HIS CA C 13 56.354704419 . . 1 . . . . . 71 HIS CA . 52729 1 458 . 1 . 1 71 71 HIS CB C 13 29.824237839 . . 1 . . . . . 71 HIS CB . 52729 1 459 . 1 . 1 71 71 HIS N N 15 118.338692881 0.0000013 . 1 . . . . . 71 HIS N . 52729 1 460 . 1 . 1 72 72 ARG H H 1 8.080139843 0.0003895367427 . 1 . . . . . 72 ARG H . 52729 1 461 . 1 . 1 72 72 ARG HA H 1 4.305393597 . . 1 . . . . . 72 ARG HA . 52729 1 462 . 1 . 1 72 72 ARG C C 13 176.201175449 . . 1 . . . . . 72 ARG C . 52729 1 463 . 1 . 1 72 72 ARG CA C 13 56.472697209 . . 1 . . . . . 72 ARG CA . 52729 1 464 . 1 . 1 72 72 ARG CB C 13 30.814822859 . . 1 . . . . . 72 ARG CB . 52729 1 465 . 1 . 1 72 72 ARG CG C 13 27.261341069 . . 1 . . . . . 72 ARG CG . 52729 1 466 . 1 . 1 72 72 ARG CD C 13 43.491337129 . . 1 . . . . . 72 ARG CD . 52729 1 467 . 1 . 1 72 72 ARG N N 15 121.235181381 0 . 1 . . . . . 72 ARG N . 52729 1 468 . 1 . 1 73 73 ARG H H 1 8.240926462 0.0007794955888 . 1 . . . . . 73 ARG H . 52729 1 469 . 1 . 1 73 73 ARG HA H 1 4.320942678 . . 1 . . . . . 73 ARG HA . 52729 1 470 . 1 . 1 73 73 ARG C C 13 175.390606149 . . 1 . . . . . 73 ARG C . 52729 1 471 . 1 . 1 73 73 ARG CA C 13 56.418263799 . . 1 . . . . . 73 ARG CA . 52729 1 472 . 1 . 1 73 73 ARG CB C 13 30.767694019 . . 1 . . . . . 73 ARG CB . 52729 1 473 . 1 . 1 73 73 ARG CG C 13 27.143960589 . . 1 . . . . . 73 ARG CG . 52729 1 474 . 1 . 1 73 73 ARG CD C 13 43.410569449 . . 1 . . . . . 73 ARG CD . 52729 1 475 . 1 . 1 73 73 ARG N N 15 122.640489581 0 . 1 . . . . . 73 ARG N . 52729 1 476 . 1 . 1 74 74 LYS H H 1 7.950297411 0.001167462327 . 1 . . . . . 74 LYS H . 52729 1 477 . 1 . 1 74 74 LYS C C 13 175.389808649 . . 1 . . . . . 74 LYS C . 52729 1 478 . 1 . 1 74 74 LYS N N 15 128.113247781 0.007529647858 . 1 . . . . . 74 LYS N . 52729 1 stop_ save_