data_28089 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28089 _Entry.Title ; dUnr CSD6 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-02-18 _Entry.Accession_date 2020-02-18 _Entry.Last_release_date 2020-02-18 _Entry.Original_release_date 2020-02-18 _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 'Nele Merret' Hollmann . . . . 28089 2 Janosch Hennig . . . . 28089 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28089 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 155 28089 '15N chemical shifts' 80 28089 '1H chemical shifts' 80 28089 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 . . 2021-09-21 . original BMRB . 28089 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 28086 'Unr CSD789' 28089 BMRB 28087 'dUnr Cterminal Q-rich' 28089 BMRB 28088 'dUnr CSD456' 28089 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28089 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32697992 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Pseudo-RNA binding domains mediate RNA structure specificity in Upstream of N-Ras ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Cell Rep.' _Citation.Journal_name_full 'Cell reports' _Citation.Journal_volume 32 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2211-1247 _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 107930 _Citation.Page_last 107930 _Citation.Year 2020 _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 'Nele Merret' Hollmann . . . . 28089 1 2 'Pravin Kumar Ankush' Jagtap . . . . 28089 1 3 Pawel Masiewicz . . . . 28089 1 4 Tanit Guitart . . . . 28089 1 5 Bernd Simon . . . . 28089 1 6 Jan Provaznik . . . . 28089 1 7 Frank Stein . . . . 28089 1 8 Per Haberkant . . . . 28089 1 9 'Lara Jayne' Sweetapple . . . . 28089 1 10 Laura Villacorte . . . . 28089 1 11 Dylan Mooijman . . . . 28089 1 12 Valdimir Benes . . . . 28089 1 13 Mikhail Savitski . . . . 28089 1 14 Fatima Gebauer . . . . 28089 1 15 Janosch Hennig . . . . 28089 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28089 _Assembly.ID 1 _Assembly.Name 'dUnr CSD6' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 9882.43 _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 'dUnr CSD6' 1 $dUnr_CSD6 A . yes native no no . . . 28089 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_dUnr_CSD6 _Entity.Sf_category entity _Entity.Sf_framecode dUnr_CSD6 _Entity.Entry_ID 28089 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name dUnr_CSD6 _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 ; GAFETLVASNIEGCVTREAP KSPIKSQDRVEGGVITYEHA DVKKTIMYFLKDCEKPPRIG ERVRFDIYMVKRNKECIAVN VQQVSLH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The first two residues (GA) are leftovers from the restriction site.' _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 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment F593-H677 _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_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . yes UNP Q9VSK3 . 'Upstream of N-ras, isoform A' . . . . . . . . . . . . . . 28089 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 . GLY . 28089 1 2 . ALA . 28089 1 3 . PHE . 28089 1 4 . GLU . 28089 1 5 . THR . 28089 1 6 . LEU . 28089 1 7 . VAL . 28089 1 8 . ALA . 28089 1 9 . SER . 28089 1 10 . ASN . 28089 1 11 . ILE . 28089 1 12 . GLU . 28089 1 13 . GLY . 28089 1 14 . CYS . 28089 1 15 . VAL . 28089 1 16 . THR . 28089 1 17 . ARG . 28089 1 18 . GLU . 28089 1 19 . ALA . 28089 1 20 . PRO . 28089 1 21 . LYS . 28089 1 22 . SER . 28089 1 23 . PRO . 28089 1 24 . ILE . 28089 1 25 . LYS . 28089 1 26 . SER . 28089 1 27 . GLN . 28089 1 28 . ASP . 28089 1 29 . ARG . 28089 1 30 . VAL . 28089 1 31 . GLU . 28089 1 32 . GLY . 28089 1 33 . GLY . 28089 1 34 . VAL . 28089 1 35 . ILE . 28089 1 36 . THR . 28089 1 37 . TYR . 28089 1 38 . GLU . 28089 1 39 . HIS . 28089 1 40 . ALA . 28089 1 41 . ASP . 28089 1 42 . VAL . 28089 1 43 . LYS . 28089 1 44 . LYS . 28089 1 45 . THR . 28089 1 46 . ILE . 28089 1 47 . MET . 28089 1 48 . TYR . 28089 1 49 . PHE . 28089 1 50 . LEU . 28089 1 51 . LYS . 28089 1 52 . ASP . 28089 1 53 . CYS . 28089 1 54 . GLU . 28089 1 55 . LYS . 28089 1 56 . PRO . 28089 1 57 . PRO . 28089 1 58 . ARG . 28089 1 59 . ILE . 28089 1 60 . GLY . 28089 1 61 . GLU . 28089 1 62 . ARG . 28089 1 63 . VAL . 28089 1 64 . ARG . 28089 1 65 . PHE . 28089 1 66 . ASP . 28089 1 67 . ILE . 28089 1 68 . TYR . 28089 1 69 . MET . 28089 1 70 . VAL . 28089 1 71 . LYS . 28089 1 72 . ARG . 28089 1 73 . ASN . 28089 1 74 . LYS . 28089 1 75 . GLU . 28089 1 76 . CYS . 28089 1 77 . ILE . 28089 1 78 . ALA . 28089 1 79 . VAL . 28089 1 80 . ASN . 28089 1 81 . VAL . 28089 1 82 . GLN . 28089 1 83 . GLN . 28089 1 84 . VAL . 28089 1 85 . SER . 28089 1 86 . LEU . 28089 1 87 . HIS . 28089 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 28089 1 . ALA 2 2 28089 1 . PHE 3 3 28089 1 . GLU 4 4 28089 1 . THR 5 5 28089 1 . LEU 6 6 28089 1 . VAL 7 7 28089 1 . ALA 8 8 28089 1 . SER 9 9 28089 1 . ASN 10 10 28089 1 . ILE 11 11 28089 1 . GLU 12 12 28089 1 . GLY 13 13 28089 1 . CYS 14 14 28089 1 . VAL 15 15 28089 1 . THR 16 16 28089 1 . ARG 17 17 28089 1 . GLU 18 18 28089 1 . ALA 19 19 28089 1 . PRO 20 20 28089 1 . LYS 21 21 28089 1 . SER 22 22 28089 1 . PRO 23 23 28089 1 . ILE 24 24 28089 1 . LYS 25 25 28089 1 . SER 26 26 28089 1 . GLN 27 27 28089 1 . ASP 28 28 28089 1 . ARG 29 29 28089 1 . VAL 30 30 28089 1 . GLU 31 31 28089 1 . GLY 32 32 28089 1 . GLY 33 33 28089 1 . VAL 34 34 28089 1 . ILE 35 35 28089 1 . THR 36 36 28089 1 . TYR 37 37 28089 1 . GLU 38 38 28089 1 . HIS 39 39 28089 1 . ALA 40 40 28089 1 . ASP 41 41 28089 1 . VAL 42 42 28089 1 . LYS 43 43 28089 1 . LYS 44 44 28089 1 . THR 45 45 28089 1 . ILE 46 46 28089 1 . MET 47 47 28089 1 . TYR 48 48 28089 1 . PHE 49 49 28089 1 . LEU 50 50 28089 1 . LYS 51 51 28089 1 . ASP 52 52 28089 1 . CYS 53 53 28089 1 . GLU 54 54 28089 1 . LYS 55 55 28089 1 . PRO 56 56 28089 1 . PRO 57 57 28089 1 . ARG 58 58 28089 1 . ILE 59 59 28089 1 . GLY 60 60 28089 1 . GLU 61 61 28089 1 . ARG 62 62 28089 1 . VAL 63 63 28089 1 . ARG 64 64 28089 1 . PHE 65 65 28089 1 . ASP 66 66 28089 1 . ILE 67 67 28089 1 . TYR 68 68 28089 1 . MET 69 69 28089 1 . VAL 70 70 28089 1 . LYS 71 71 28089 1 . ARG 72 72 28089 1 . ASN 73 73 28089 1 . LYS 74 74 28089 1 . GLU 75 75 28089 1 . CYS 76 76 28089 1 . ILE 77 77 28089 1 . ALA 78 78 28089 1 . VAL 79 79 28089 1 . ASN 80 80 28089 1 . VAL 81 81 28089 1 . GLN 82 82 28089 1 . GLN 83 83 28089 1 . VAL 84 84 28089 1 . SER 85 85 28089 1 . LEU 86 86 28089 1 . HIS 87 87 28089 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 28089 _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 $dUnr_CSD6 . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . 28089 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 28089 _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 $dUnr_CSD6 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pETM11 . . . 28089 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28089 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'dUnr CSD6' '[U-99% 13C; U-99% 15N]' . . 1 $dUnr_CSD6 . . 1.2 . . mM . . . . 28089 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 28089 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 28089 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 28089 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 28089 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.4 . pH 28089 1 pressure 1 . atm 28089 1 temperature 298 . K 28089 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 28089 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 28089 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 28089 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 28089 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 28089 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 28089 2 stop_ save_ save_Cara _Software.Sf_category software _Software.Sf_framecode Cara _Software.Entry_ID 28089 _Software.ID 3 _Software.Type . _Software.Name Cara _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 28089 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 28089 3 'peak picking' . 28089 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 28089 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 28089 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance III' . 700 . . . 28089 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 28089 _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 . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28089 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28089 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28089 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28089 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 28089 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.709 internal indirect 0.251449530 . . . . . 28089 1 H 1 water protons . . . . ppm 4.709 internal direct 1 . . . . . 28089 1 N 15 water protons . . . . ppm 4.709 internal indirect 0.101329118 . . . . . 28089 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 28089 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 28089 1 2 '3D CBCA(CO)NH' . . . 28089 1 3 '3D HNCA' . . . 28089 1 4 '3D HNCACB' . . . 28089 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 3 3 PHE H H 1 8.225 0.020 . 1 . . . . . 3 PHE H . 28089 1 2 . 1 . 1 3 3 PHE CA C 13 54.574 0.3 . 1 . . . . . 3 PHE CA . 28089 1 3 . 1 . 1 3 3 PHE CB C 13 36.534 0.3 . 1 . . . . . 3 PHE CB . 28089 1 4 . 1 . 1 3 3 PHE N N 15 117.387 0.3 . 1 . . . . . 3 PHE N . 28089 1 5 . 1 . 1 4 4 GLU H H 1 8.213 0.020 . 1 . . . . . 4 GLU H . 28089 1 6 . 1 . 1 4 4 GLU CA C 13 53.696 0.3 . 1 . . . . . 4 GLU CA . 28089 1 7 . 1 . 1 4 4 GLU CB C 13 28.312 0.3 . 1 . . . . . 4 GLU CB . 28089 1 8 . 1 . 1 4 4 GLU N N 15 120.710 0.3 . 1 . . . . . 4 GLU N . 28089 1 9 . 1 . 1 5 5 THR H H 1 8.240 0.020 . 1 . . . . . 5 THR H . 28089 1 10 . 1 . 1 5 5 THR CA C 13 58.406 0.3 . 1 . . . . . 5 THR CA . 28089 1 11 . 1 . 1 5 5 THR CB C 13 68.065 0.3 . 1 . . . . . 5 THR CB . 28089 1 12 . 1 . 1 5 5 THR N N 15 114.506 0.3 . 1 . . . . . 5 THR N . 28089 1 13 . 1 . 1 6 6 LEU H H 1 8.398 0.020 . 1 . . . . . 6 LEU H . 28089 1 14 . 1 . 1 6 6 LEU CA C 13 52.419 0.3 . 1 . . . . . 6 LEU CA . 28089 1 15 . 1 . 1 6 6 LEU CB C 13 39.408 0.3 . 1 . . . . . 6 LEU CB . 28089 1 16 . 1 . 1 6 6 LEU N N 15 127.822 0.3 . 1 . . . . . 6 LEU N . 28089 1 17 . 1 . 1 7 7 VAL H H 1 8.840 0.020 . 1 . . . . . 7 VAL H . 28089 1 18 . 1 . 1 7 7 VAL CA C 13 60.880 0.3 . 1 . . . . . 7 VAL CA . 28089 1 19 . 1 . 1 7 7 VAL CB C 13 30.308 0.3 . 1 . . . . . 7 VAL CB . 28089 1 20 . 1 . 1 7 7 VAL N N 15 126.277 0.3 . 1 . . . . . 7 VAL N . 28089 1 21 . 1 . 1 8 8 ALA H H 1 7.573 0.020 . 1 . . . . . 8 ALA H . 28089 1 22 . 1 . 1 8 8 ALA CA C 13 49.066 0.3 . 1 . . . . . 8 ALA CA . 28089 1 23 . 1 . 1 8 8 ALA CB C 13 19.212 0.3 . 1 . . . . . 8 ALA CB . 28089 1 24 . 1 . 1 8 8 ALA N N 15 119.397 0.3 . 1 . . . . . 8 ALA N . 28089 1 25 . 1 . 1 9 9 SER H H 1 8.396 0.020 . 1 . . . . . 9 SER H . 28089 1 26 . 1 . 1 9 9 SER CA C 13 53.537 0.3 . 1 . . . . . 9 SER CA . 28089 1 27 . 1 . 1 9 9 SER CB C 13 63.195 0.3 . 1 . . . . . 9 SER CB . 28089 1 28 . 1 . 1 9 9 SER N N 15 114.948 0.3 . 1 . . . . . 9 SER N . 28089 1 29 . 1 . 1 10 10 ASN H H 1 8.683 0.020 . 1 . . . . . 10 ASN H . 28089 1 30 . 1 . 1 10 10 ASN CA C 13 51.302 0.3 . 1 . . . . . 10 ASN CA . 28089 1 31 . 1 . 1 10 10 ASN CB C 13 33.900 0.3 . 1 . . . . . 10 ASN CB . 28089 1 32 . 1 . 1 10 10 ASN N N 15 118.638 0.3 . 1 . . . . . 10 ASN N . 28089 1 33 . 1 . 1 11 11 ILE H H 1 8.407 0.020 . 1 . . . . . 11 ILE H . 28089 1 34 . 1 . 1 11 11 ILE CA C 13 55.452 0.3 . 1 . . . . . 11 ILE CA . 28089 1 35 . 1 . 1 11 11 ILE CB C 13 33.140 0.3 . 1 . . . . . 11 ILE CB . 28089 1 36 . 1 . 1 11 11 ILE N N 15 122.759 0.3 . 1 . . . . . 11 ILE N . 28089 1 37 . 1 . 1 12 12 GLU H H 1 7.849 0.020 . 1 . . . . . 12 GLU H . 28089 1 38 . 1 . 1 12 12 GLU CA C 13 51.461 0.3 . 1 . . . . . 12 GLU CA . 28089 1 39 . 1 . 1 12 12 GLU CB C 13 29.988 0.3 . 1 . . . . . 12 GLU CB . 28089 1 40 . 1 . 1 12 12 GLU N N 15 121.400 0.3 . 1 . . . . . 12 GLU N . 28089 1 41 . 1 . 1 13 13 GLY H H 1 8.933 0.020 . 1 . . . . . 13 GLY H . 28089 1 42 . 1 . 1 13 13 GLY CA C 13 42.601 0.3 . 1 . . . . . 13 GLY CA . 28089 1 43 . 1 . 1 13 13 GLY N N 15 108.191 0.3 . 1 . . . . . 13 GLY N . 28089 1 44 . 1 . 1 14 14 CYS H H 1 8.875 0.020 . 1 . . . . . 14 CYS H . 28089 1 45 . 1 . 1 14 14 CYS CA C 13 53.457 0.3 . 1 . . . . . 14 CYS CA . 28089 1 46 . 1 . 1 14 14 CYS CB C 13 27.753 0.3 . 1 . . . . . 14 CYS CB . 28089 1 47 . 1 . 1 14 14 CYS N N 15 118.331 0.3 . 1 . . . . . 14 CYS N . 28089 1 48 . 1 . 1 15 15 VAL H H 1 8.336 0.020 . 1 . . . . . 15 VAL H . 28089 1 49 . 1 . 1 15 15 VAL CA C 13 61.599 0.3 . 1 . . . . . 15 VAL CA . 28089 1 50 . 1 . 1 15 15 VAL CB C 13 28.631 0.3 . 1 . . . . . 15 VAL CB . 28089 1 51 . 1 . 1 15 15 VAL N N 15 126.593 0.3 . 1 . . . . . 15 VAL N . 28089 1 52 . 1 . 1 16 16 THR H H 1 8.933 0.020 . 1 . . . . . 16 THR H . 28089 1 53 . 1 . 1 16 16 THR CA C 13 59.923 0.3 . 1 . . . . . 16 THR CA . 28089 1 54 . 1 . 1 16 16 THR CB C 13 66.388 0.3 . 1 . . . . . 16 THR CB . 28089 1 55 . 1 . 1 16 16 THR N N 15 122.971 0.3 . 1 . . . . . 16 THR N . 28089 1 56 . 1 . 1 17 17 ARG H H 1 7.986 0.020 . 1 . . . . . 17 ARG H . 28089 1 57 . 1 . 1 17 17 ARG CA C 13 54.494 0.3 . 1 . . . . . 17 ARG CA . 28089 1 58 . 1 . 1 17 17 ARG CB C 13 30.547 0.3 . 1 . . . . . 17 ARG CB . 28089 1 59 . 1 . 1 17 17 ARG N N 15 123.118 0.3 . 1 . . . . . 17 ARG N . 28089 1 60 . 1 . 1 18 18 GLU H H 1 8.944 0.020 . 1 . . . . . 18 GLU H . 28089 1 61 . 1 . 1 18 18 GLU CA C 13 53.776 0.3 . 1 . . . . . 18 GLU CA . 28089 1 62 . 1 . 1 18 18 GLU CB C 13 27.753 0.3 . 1 . . . . . 18 GLU CB . 28089 1 63 . 1 . 1 18 18 GLU N N 15 127.146 0.3 . 1 . . . . . 18 GLU N . 28089 1 64 . 1 . 1 19 19 ALA H H 1 7.672 0.020 . 1 . . . . . 19 ALA H . 28089 1 65 . 1 . 1 19 19 ALA CA C 13 47.071 0.3 . 1 . . . . . 19 ALA CA . 28089 1 66 . 1 . 1 19 19 ALA CB C 13 14.742 0.3 . 1 . . . . . 19 ALA CB . 28089 1 67 . 1 . 1 19 19 ALA N N 15 126.654 0.3 . 1 . . . . . 19 ALA N . 28089 1 68 . 1 . 1 21 21 LYS H H 1 8.208 0.020 . 1 . . . . . 21 LYS H . 28089 1 69 . 1 . 1 21 21 LYS CA C 13 53.537 0.3 . 1 . . . . . 21 LYS CA . 28089 1 70 . 1 . 1 21 21 LYS CB C 13 30.308 0.3 . 1 . . . . . 21 LYS CB . 28089 1 71 . 1 . 1 21 21 LYS N N 15 119.831 0.3 . 1 . . . . . 21 LYS N . 28089 1 72 . 1 . 1 22 22 SER H H 1 7.771 0.020 . 1 . . . . . 22 SER H . 28089 1 73 . 1 . 1 22 22 SER CA C 13 53.457 0.3 . 1 . . . . . 22 SER CA . 28089 1 74 . 1 . 1 22 22 SER CB C 13 61.120 0.3 . 1 . . . . . 22 SER CB . 28089 1 75 . 1 . 1 22 22 SER N N 15 115.144 0.3 . 1 . . . . . 22 SER N . 28089 1 76 . 1 . 1 24 24 ILE H H 1 8.066 0.020 . 1 . . . . . 24 ILE H . 28089 1 77 . 1 . 1 24 24 ILE CA C 13 58.406 0.3 . 1 . . . . . 24 ILE CA . 28089 1 78 . 1 . 1 24 24 ILE CB C 13 36.055 0.3 . 1 . . . . . 24 ILE CB . 28089 1 79 . 1 . 1 24 24 ILE N N 15 119.929 0.3 . 1 . . . . . 24 ILE N . 28089 1 80 . 1 . 1 25 25 LYS H H 1 8.341 0.020 . 1 . . . . . 25 LYS H . 28089 1 81 . 1 . 1 25 25 LYS CA C 13 53.616 0.3 . 1 . . . . . 25 LYS CA . 28089 1 82 . 1 . 1 25 25 LYS CB C 13 29.829 0.3 . 1 . . . . . 25 LYS CB . 28089 1 83 . 1 . 1 25 25 LYS N N 15 124.281 0.3 . 1 . . . . . 25 LYS N . 28089 1 84 . 1 . 1 26 26 SER H H 1 8.143 0.020 . 1 . . . . . 26 SER H . 28089 1 85 . 1 . 1 26 26 SER CA C 13 55.532 0.3 . 1 . . . . . 26 SER CA . 28089 1 86 . 1 . 1 26 26 SER CB C 13 60.880 0.3 . 1 . . . . . 26 SER CB . 28089 1 87 . 1 . 1 26 26 SER N N 15 116.603 0.3 . 1 . . . . . 26 SER N . 28089 1 88 . 1 . 1 27 27 GLN H H 1 8.444 0.020 . 1 . . . . . 27 GLN H . 28089 1 89 . 1 . 1 27 27 GLN CA C 13 53.457 0.3 . 1 . . . . . 27 GLN CA . 28089 1 90 . 1 . 1 27 27 GLN CB C 13 25.997 0.3 . 1 . . . . . 27 GLN CB . 28089 1 91 . 1 . 1 27 27 GLN N N 15 121.335 0.3 . 1 . . . . . 27 GLN N . 28089 1 92 . 1 . 1 28 28 ASP H H 1 8.120 0.020 . 1 . . . . . 28 ASP H . 28089 1 93 . 1 . 1 28 28 ASP CA C 13 51.461 0.3 . 1 . . . . . 28 ASP CA . 28089 1 94 . 1 . 1 28 28 ASP CB C 13 38.769 0.3 . 1 . . . . . 28 ASP CB . 28089 1 95 . 1 . 1 28 28 ASP N N 15 119.312 0.3 . 1 . . . . . 28 ASP N . 28089 1 96 . 1 . 1 29 29 ARG H H 1 8.084 0.020 . 1 . . . . . 29 ARG H . 28089 1 97 . 1 . 1 29 29 ARG CA C 13 52.978 0.3 . 1 . . . . . 29 ARG CA . 28089 1 98 . 1 . 1 29 29 ARG CB C 13 27.194 0.3 . 1 . . . . . 29 ARG CB . 28089 1 99 . 1 . 1 29 29 ARG N N 15 119.888 0.3 . 1 . . . . . 29 ARG N . 28089 1 100 . 1 . 1 30 30 VAL H H 1 8.044 0.020 . 1 . . . . . 30 VAL H . 28089 1 101 . 1 . 1 30 30 VAL CA C 13 59.444 0.3 . 1 . . . . . 30 VAL CA . 28089 1 102 . 1 . 1 30 30 VAL CB C 13 30.467 0.3 . 1 . . . . . 30 VAL CB . 28089 1 103 . 1 . 1 30 30 VAL N N 15 121.326 0.3 . 1 . . . . . 30 VAL N . 28089 1 104 . 1 . 1 31 31 GLU H H 1 8.414 0.020 . 1 . . . . . 31 GLU H . 28089 1 105 . 1 . 1 31 31 GLU CA C 13 53.377 0.3 . 1 . . . . . 31 GLU CA . 28089 1 106 . 1 . 1 31 31 GLU CB C 13 28.312 0.3 . 1 . . . . . 31 GLU CB . 28089 1 107 . 1 . 1 31 31 GLU N N 15 123.640 0.3 . 1 . . . . . 31 GLU N . 28089 1 108 . 1 . 1 32 32 GLY H H 1 8.176 0.020 . 1 . . . . . 32 GLY H . 28089 1 109 . 1 . 1 32 32 GLY CA C 13 41.483 0.3 . 1 . . . . . 32 GLY CA . 28089 1 110 . 1 . 1 32 32 GLY N N 15 110.257 0.3 . 1 . . . . . 32 GLY N . 28089 1 111 . 1 . 1 33 33 GLY H H 1 7.723 0.020 . 1 . . . . . 33 GLY H . 28089 1 112 . 1 . 1 33 33 GLY CA C 13 40.765 0.3 . 1 . . . . . 33 GLY CA . 28089 1 113 . 1 . 1 33 33 GLY N N 15 106.674 0.3 . 1 . . . . . 33 GLY N . 28089 1 114 . 1 . 1 34 34 VAL H H 1 9.059 0.020 . 1 . . . . . 34 VAL H . 28089 1 115 . 1 . 1 34 34 VAL CA C 13 59.204 0.3 . 1 . . . . . 34 VAL CA . 28089 1 116 . 1 . 1 34 34 VAL CB C 13 33.341 0.3 . 1 . . . . . 34 VAL CB . 28089 1 117 . 1 . 1 34 34 VAL N N 15 117.571 0.3 . 1 . . . . . 34 VAL N . 28089 1 118 . 1 . 1 35 35 ILE H H 1 9.147 0.020 . 1 . . . . . 35 ILE H . 28089 1 119 . 1 . 1 35 35 ILE CA C 13 56.730 0.3 . 1 . . . . . 35 ILE CA . 28089 1 120 . 1 . 1 35 35 ILE CB C 13 38.609 0.3 . 1 . . . . . 35 ILE CB . 28089 1 121 . 1 . 1 35 35 ILE N N 15 128.129 0.3 . 1 . . . . . 35 ILE N . 28089 1 122 . 1 . 1 36 36 THR H H 1 8.940 0.020 . 1 . . . . . 36 THR H . 28089 1 123 . 1 . 1 36 36 THR CA C 13 58.805 0.3 . 1 . . . . . 36 THR CA . 28089 1 124 . 1 . 1 36 36 THR CB C 13 66.468 0.3 . 1 . . . . . 36 THR CB . 28089 1 125 . 1 . 1 36 36 THR N N 15 122.581 0.3 . 1 . . . . . 36 THR N . 28089 1 126 . 1 . 1 37 37 TYR H H 1 9.530 0.020 . 1 . . . . . 37 TYR H . 28089 1 127 . 1 . 1 37 37 TYR CA C 13 52.419 0.3 . 1 . . . . . 37 TYR CA . 28089 1 128 . 1 . 1 37 37 TYR CB C 13 39.647 0.3 . 1 . . . . . 37 TYR CB . 28089 1 129 . 1 . 1 37 37 TYR N N 15 128.282 0.3 . 1 . . . . . 37 TYR N . 28089 1 130 . 1 . 1 38 38 GLU H H 1 8.825 0.020 . 1 . . . . . 38 GLU H . 28089 1 131 . 1 . 1 38 38 GLU CA C 13 52.259 0.3 . 1 . . . . . 38 GLU CA . 28089 1 132 . 1 . 1 38 38 GLU CB C 13 29.270 0.3 . 1 . . . . . 38 GLU CB . 28089 1 133 . 1 . 1 38 38 GLU N N 15 120.076 0.3 . 1 . . . . . 38 GLU N . 28089 1 134 . 1 . 1 39 39 HIS H H 1 8.643 0.020 . 1 . . . . . 39 HIS H . 28089 1 135 . 1 . 1 39 39 HIS CA C 13 53.377 0.3 . 1 . . . . . 39 HIS CA . 28089 1 136 . 1 . 1 39 39 HIS CB C 13 30.547 0.3 . 1 . . . . . 39 HIS CB . 28089 1 137 . 1 . 1 39 39 HIS N N 15 123.971 0.3 . 1 . . . . . 39 HIS N . 28089 1 138 . 1 . 1 40 40 ALA H H 1 8.862 0.020 . 1 . . . . . 40 ALA H . 28089 1 139 . 1 . 1 40 40 ALA CA C 13 50.583 0.3 . 1 . . . . . 40 ALA CA . 28089 1 140 . 1 . 1 40 40 ALA CB C 13 13.704 0.3 . 1 . . . . . 40 ALA CB . 28089 1 141 . 1 . 1 40 40 ALA N N 15 130.893 0.3 . 1 . . . . . 40 ALA N . 28089 1 142 . 1 . 1 41 41 ASP H H 1 8.493 0.020 . 1 . . . . . 41 ASP H . 28089 1 143 . 1 . 1 41 41 ASP CA C 13 52.738 0.3 . 1 . . . . . 41 ASP CA . 28089 1 144 . 1 . 1 41 41 ASP CB C 13 37.013 0.3 . 1 . . . . . 41 ASP CB . 28089 1 145 . 1 . 1 41 41 ASP N N 15 111.601 0.3 . 1 . . . . . 41 ASP N . 28089 1 146 . 1 . 1 42 42 VAL H H 1 7.802 0.020 . 1 . . . . . 42 VAL H . 28089 1 147 . 1 . 1 42 42 VAL CA C 13 58.326 0.3 . 1 . . . . . 42 VAL CA . 28089 1 148 . 1 . 1 42 42 VAL CB C 13 31.744 0.3 . 1 . . . . . 42 VAL CB . 28089 1 149 . 1 . 1 42 42 VAL N N 15 118.895 0.3 . 1 . . . . . 42 VAL N . 28089 1 150 . 1 . 1 43 43 LYS H H 1 8.245 0.020 . 1 . . . . . 43 LYS H . 28089 1 151 . 1 . 1 43 43 LYS CA C 13 53.457 0.3 . 1 . . . . . 43 LYS CA . 28089 1 152 . 1 . 1 43 43 LYS CB C 13 29.988 0.3 . 1 . . . . . 43 LYS CB . 28089 1 153 . 1 . 1 43 43 LYS N N 15 124.581 0.3 . 1 . . . . . 43 LYS N . 28089 1 154 . 1 . 1 44 44 LYS H H 1 8.865 0.020 . 1 . . . . . 44 LYS H . 28089 1 155 . 1 . 1 44 44 LYS CA C 13 51.701 0.3 . 1 . . . . . 44 LYS CA . 28089 1 156 . 1 . 1 44 44 LYS CB C 13 33.181 0.3 . 1 . . . . . 44 LYS CB . 28089 1 157 . 1 . 1 44 44 LYS N N 15 125.895 0.3 . 1 . . . . . 44 LYS N . 28089 1 158 . 1 . 1 45 45 THR H H 1 7.807 0.020 . 1 . . . . . 45 THR H . 28089 1 159 . 1 . 1 45 45 THR CA C 13 56.251 0.3 . 1 . . . . . 45 THR CA . 28089 1 160 . 1 . 1 45 45 THR CB C 13 69.422 0.3 . 1 . . . . . 45 THR CB . 28089 1 161 . 1 . 1 45 45 THR N N 15 107.440 0.3 . 1 . . . . . 45 THR N . 28089 1 162 . 1 . 1 46 46 ILE H H 1 9.113 0.020 . 1 . . . . . 46 ILE H . 28089 1 163 . 1 . 1 46 46 ILE CA C 13 57.368 0.3 . 1 . . . . . 46 ILE CA . 28089 1 164 . 1 . 1 46 46 ILE CB C 13 39.727 0.3 . 1 . . . . . 46 ILE CB . 28089 1 165 . 1 . 1 46 46 ILE N N 15 122.266 0.3 . 1 . . . . . 46 ILE N . 28089 1 166 . 1 . 1 47 47 MET H H 1 8.244 0.020 . 1 . . . . . 47 MET H . 28089 1 167 . 1 . 1 47 47 MET CA C 13 52.100 0.3 . 1 . . . . . 47 MET CA . 28089 1 168 . 1 . 1 47 47 MET CB C 13 31.585 0.3 . 1 . . . . . 47 MET CB . 28089 1 169 . 1 . 1 47 47 MET N N 15 125.336 0.3 . 1 . . . . . 47 MET N . 28089 1 170 . 1 . 1 48 48 TYR H H 1 7.429 0.020 . 1 . . . . . 48 TYR H . 28089 1 171 . 1 . 1 48 48 TYR CA C 13 52.100 0.3 . 1 . . . . . 48 TYR CA . 28089 1 172 . 1 . 1 48 48 TYR CB C 13 40.765 0.3 . 1 . . . . . 48 TYR CB . 28089 1 173 . 1 . 1 48 48 TYR N N 15 116.539 0.3 . 1 . . . . . 48 TYR N . 28089 1 174 . 1 . 1 49 49 PHE H H 1 9.850 0.020 . 1 . . . . . 49 PHE H . 28089 1 175 . 1 . 1 49 49 PHE CA C 13 53.616 0.3 . 1 . . . . . 49 PHE CA . 28089 1 176 . 1 . 1 49 49 PHE CB C 13 38.530 0.3 . 1 . . . . . 49 PHE CB . 28089 1 177 . 1 . 1 49 49 PHE N N 15 119.644 0.3 . 1 . . . . . 49 PHE N . 28089 1 178 . 1 . 1 51 51 LYS H H 1 8.443 0.020 . 1 . . . . . 51 LYS H . 28089 1 179 . 1 . 1 51 51 LYS CA C 13 54.904 0.3 . 1 . . . . . 51 LYS CA . 28089 1 180 . 1 . 1 51 51 LYS CB C 13 29.350 0.3 . 1 . . . . . 51 LYS CB . 28089 1 181 . 1 . 1 51 51 LYS N N 15 117.021 0.3 . 1 . . . . . 51 LYS N . 28089 1 182 . 1 . 1 52 52 ASP H H 1 7.803 0.020 . 1 . . . . . 52 ASP H . 28089 1 183 . 1 . 1 52 52 ASP CA C 13 52.180 0.3 . 1 . . . . . 52 ASP CA . 28089 1 184 . 1 . 1 52 52 ASP CB C 13 39.248 0.3 . 1 . . . . . 52 ASP CB . 28089 1 185 . 1 . 1 52 52 ASP N N 15 118.270 0.3 . 1 . . . . . 52 ASP N . 28089 1 186 . 1 . 1 53 53 CYS H H 1 7.547 0.020 . 1 . . . . . 53 CYS H . 28089 1 187 . 1 . 1 53 53 CYS CA C 13 54.495 0.3 . 1 . . . . . 53 CYS CA . 28089 1 188 . 1 . 1 53 53 CYS CB C 13 26.715 0.3 . 1 . . . . . 53 CYS CB . 28089 1 189 . 1 . 1 53 53 CYS N N 15 115.515 0.3 . 1 . . . . . 53 CYS N . 28089 1 190 . 1 . 1 54 54 GLU H H 1 8.672 0.020 . 1 . . . . . 54 GLU H . 28089 1 191 . 1 . 1 54 54 GLU CA C 13 55.772 0.3 . 1 . . . . . 54 GLU CA . 28089 1 192 . 1 . 1 54 54 GLU CB C 13 26.715 0.3 . 1 . . . . . 54 GLU CB . 28089 1 193 . 1 . 1 54 54 GLU N N 15 125.491 0.3 . 1 . . . . . 54 GLU N . 28089 1 194 . 1 . 1 55 55 LYS H H 1 7.877 0.020 . 1 . . . . . 55 LYS H . 28089 1 195 . 1 . 1 55 55 LYS CA C 13 50.583 0.3 . 1 . . . . . 55 LYS CA . 28089 1 196 . 1 . 1 55 55 LYS CB C 13 30.946 0.3 . 1 . . . . . 55 LYS CB . 28089 1 197 . 1 . 1 55 55 LYS N N 15 118.184 0.3 . 1 . . . . . 55 LYS N . 28089 1 198 . 1 . 1 58 58 ARG H H 1 8.536 0.020 . 1 . . . . . 58 ARG H . 28089 1 199 . 1 . 1 58 58 ARG CA C 13 50.583 0.3 . 1 . . . . . 58 ARG CA . 28089 1 200 . 1 . 1 58 58 ARG CB C 13 30.068 0.3 . 1 . . . . . 58 ARG CB . 28089 1 201 . 1 . 1 58 58 ARG N N 15 120.082 0.3 . 1 . . . . . 58 ARG N . 28089 1 202 . 1 . 1 59 59 ILE H H 1 8.791 0.020 . 1 . . . . . 59 ILE H . 28089 1 203 . 1 . 1 59 59 ILE CA C 13 58.805 0.3 . 1 . . . . . 59 ILE CA . 28089 1 204 . 1 . 1 59 59 ILE CB C 13 35.815 0.3 . 1 . . . . . 59 ILE CB . 28089 1 205 . 1 . 1 59 59 ILE N N 15 119.651 0.3 . 1 . . . . . 59 ILE N . 28089 1 206 . 1 . 1 60 60 GLY H H 1 8.733 0.020 . 1 . . . . . 60 GLY H . 28089 1 207 . 1 . 1 60 60 GLY CA C 13 42.122 0.3 . 1 . . . . . 60 GLY CA . 28089 1 208 . 1 . 1 60 60 GLY N N 15 114.273 0.3 . 1 . . . . . 60 GLY N . 28089 1 209 . 1 . 1 61 61 GLU H H 1 8.029 0.020 . 1 . . . . . 61 GLU H . 28089 1 210 . 1 . 1 61 61 GLU CA C 13 54.335 0.3 . 1 . . . . . 61 GLU CA . 28089 1 211 . 1 . 1 61 61 GLU CB C 13 27.753 0.3 . 1 . . . . . 61 GLU CB . 28089 1 212 . 1 . 1 61 61 GLU N N 15 120.464 0.3 . 1 . . . . . 61 GLU N . 28089 1 213 . 1 . 1 62 62 ARG H H 1 8.438 0.020 . 1 . . . . . 62 ARG H . 28089 1 214 . 1 . 1 62 62 ARG CA C 13 52.259 0.3 . 1 . . . . . 62 ARG CA . 28089 1 215 . 1 . 1 62 62 ARG CB C 13 27.354 0.3 . 1 . . . . . 62 ARG CB . 28089 1 216 . 1 . 1 62 62 ARG N N 15 122.540 0.3 . 1 . . . . . 62 ARG N . 28089 1 217 . 1 . 1 63 63 VAL H H 1 8.830 0.020 . 1 . . . . . 63 VAL H . 28089 1 218 . 1 . 1 63 63 VAL CA C 13 55.373 0.3 . 1 . . . . . 63 VAL CA . 28089 1 219 . 1 . 1 63 63 VAL CB C 13 33.421 0.3 . 1 . . . . . 63 VAL CB . 28089 1 220 . 1 . 1 63 63 VAL N N 15 117.363 0.3 . 1 . . . . . 63 VAL N . 28089 1 221 . 1 . 1 64 64 ARG H H 1 9.070 0.020 . 1 . . . . . 64 ARG H . 28089 1 222 . 1 . 1 64 64 ARG CA C 13 50.184 0.3 . 1 . . . . . 64 ARG CA . 28089 1 223 . 1 . 1 64 64 ARG CB C 13 29.988 0.3 . 1 . . . . . 64 ARG CB . 28089 1 224 . 1 . 1 64 64 ARG N N 15 120.514 0.3 . 1 . . . . . 64 ARG N . 28089 1 225 . 1 . 1 65 65 PHE H H 1 8.734 0.020 . 1 . . . . . 65 PHE H . 28089 1 226 . 1 . 1 65 65 PHE CA C 13 53.537 0.3 . 1 . . . . . 65 PHE CA . 28089 1 227 . 1 . 1 65 65 PHE CB C 13 37.891 0.3 . 1 . . . . . 65 PHE CB . 28089 1 228 . 1 . 1 65 65 PHE N N 15 117.902 0.3 . 1 . . . . . 65 PHE N . 28089 1 229 . 1 . 1 66 66 ASP H H 1 8.719 0.020 . 1 . . . . . 66 ASP H . 28089 1 230 . 1 . 1 66 66 ASP CA C 13 49.146 0.3 . 1 . . . . . 66 ASP CA . 28089 1 231 . 1 . 1 66 66 ASP CB C 13 41.643 0.3 . 1 . . . . . 66 ASP CB . 28089 1 232 . 1 . 1 66 66 ASP N N 15 116.260 0.3 . 1 . . . . . 66 ASP N . 28089 1 233 . 1 . 1 67 67 ILE H H 1 8.812 0.020 . 1 . . . . . 67 ILE H . 28089 1 234 . 1 . 1 67 67 ILE CA C 13 58.965 0.3 . 1 . . . . . 67 ILE CA . 28089 1 235 . 1 . 1 67 67 ILE CB C 13 36.694 0.3 . 1 . . . . . 67 ILE CB . 28089 1 236 . 1 . 1 67 67 ILE N N 15 119.501 0.3 . 1 . . . . . 67 ILE N . 28089 1 237 . 1 . 1 68 68 TYR H H 1 9.108 0.020 . 1 . . . . . 68 TYR H . 28089 1 238 . 1 . 1 68 68 TYR CA C 13 52.898 0.3 . 1 . . . . . 68 TYR CA . 28089 1 239 . 1 . 1 68 68 TYR CB C 13 39.807 0.3 . 1 . . . . . 68 TYR CB . 28089 1 240 . 1 . 1 68 68 TYR N N 15 128.712 0.3 . 1 . . . . . 68 TYR N . 28089 1 241 . 1 . 1 69 69 MET H H 1 8.844 0.020 . 1 . . . . . 69 MET H . 28089 1 242 . 1 . 1 69 69 MET CA C 13 51.621 0.3 . 1 . . . . . 69 MET CA . 28089 1 243 . 1 . 1 69 69 MET CB C 13 31.824 0.3 . 1 . . . . . 69 MET CB . 28089 1 244 . 1 . 1 69 69 MET N N 15 122.834 0.3 . 1 . . . . . 69 MET N . 28089 1 245 . 1 . 1 70 70 VAL H H 1 8.918 0.020 . 1 . . . . . 70 VAL H . 28089 1 246 . 1 . 1 70 70 VAL CA C 13 59.603 0.3 . 1 . . . . . 70 VAL CA . 28089 1 247 . 1 . 1 70 70 VAL CB C 13 29.350 0.3 . 1 . . . . . 70 VAL CB . 28089 1 248 . 1 . 1 70 70 VAL N N 15 127.125 0.3 . 1 . . . . . 70 VAL N . 28089 1 249 . 1 . 1 71 71 LYS H H 1 8.286 0.020 . 1 . . . . . 71 LYS H . 28089 1 250 . 1 . 1 71 71 LYS CA C 13 54.016 0.3 . 1 . . . . . 71 LYS CA . 28089 1 251 . 1 . 1 71 71 LYS N N 15 120.521 0.3 . 1 . . . . . 71 LYS N . 28089 1 252 . 1 . 1 72 72 ARG H H 1 8.446 0.020 . 1 . . . . . 72 ARG H . 28089 1 253 . 1 . 1 72 72 ARG CA C 13 55.815 0.3 . 1 . . . . . 72 ARG CA . 28089 1 254 . 1 . 1 72 72 ARG CB C 13 26.636 0.3 . 1 . . . . . 72 ARG CB . 28089 1 255 . 1 . 1 72 72 ARG N N 15 117.142 0.3 . 1 . . . . . 72 ARG N . 28089 1 256 . 1 . 1 73 73 ASN H H 1 7.478 0.020 . 1 . . . . . 73 ASN H . 28089 1 257 . 1 . 1 73 73 ASN CA C 13 49.705 0.3 . 1 . . . . . 73 ASN CA . 28089 1 258 . 1 . 1 73 73 ASN CB C 13 35.815 0.3 . 1 . . . . . 73 ASN CB . 28089 1 259 . 1 . 1 73 73 ASN N N 15 114.325 0.3 . 1 . . . . . 73 ASN N . 28089 1 260 . 1 . 1 74 74 LYS H H 1 7.984 0.020 . 1 . . . . . 74 LYS H . 28089 1 261 . 1 . 1 74 74 LYS CA C 13 54.654 0.3 . 1 . . . . . 74 LYS CA . 28089 1 262 . 1 . 1 74 74 LYS CB C 13 27.434 0.3 . 1 . . . . . 74 LYS CB . 28089 1 263 . 1 . 1 74 74 LYS N N 15 115.879 0.3 . 1 . . . . . 74 LYS N . 28089 1 264 . 1 . 1 75 75 GLU H H 1 7.620 0.020 . 1 . . . . . 75 GLU H . 28089 1 265 . 1 . 1 75 75 GLU CA C 13 53.217 0.3 . 1 . . . . . 75 GLU CA . 28089 1 266 . 1 . 1 75 75 GLU CB C 13 28.631 0.3 . 1 . . . . . 75 GLU CB . 28089 1 267 . 1 . 1 75 75 GLU N N 15 118.893 0.3 . 1 . . . . . 75 GLU N . 28089 1 268 . 1 . 1 76 76 CYS H H 1 8.549 0.020 . 1 . . . . . 76 CYS H . 28089 1 269 . 1 . 1 76 76 CYS CA C 13 55.532 0.3 . 1 . . . . . 76 CYS CA . 28089 1 270 . 1 . 1 76 76 CYS CB C 13 26.476 0.3 . 1 . . . . . 76 CYS CB . 28089 1 271 . 1 . 1 76 76 CYS N N 15 120.952 0.3 . 1 . . . . . 76 CYS N . 28089 1 272 . 1 . 1 77 77 ILE H H 1 9.081 0.020 . 1 . . . . . 77 ILE H . 28089 1 273 . 1 . 1 77 77 ILE CA C 13 56.889 0.3 . 1 . . . . . 77 ILE CA . 28089 1 274 . 1 . 1 77 77 ILE CB C 13 39.567 0.3 . 1 . . . . . 77 ILE CB . 28089 1 275 . 1 . 1 77 77 ILE N N 15 116.946 0.3 . 1 . . . . . 77 ILE N . 28089 1 276 . 1 . 1 78 78 ALA H H 1 8.430 0.020 . 1 . . . . . 78 ALA H . 28089 1 277 . 1 . 1 78 78 ALA CA C 13 47.470 0.3 . 1 . . . . . 78 ALA CA . 28089 1 278 . 1 . 1 78 78 ALA CB C 13 17.935 0.3 . 1 . . . . . 78 ALA CB . 28089 1 279 . 1 . 1 78 78 ALA N N 15 124.705 0.3 . 1 . . . . . 78 ALA N . 28089 1 280 . 1 . 1 79 79 VAL H H 1 9.072 0.020 . 1 . . . . . 79 VAL H . 28089 1 281 . 1 . 1 79 79 VAL CA C 13 56.251 0.3 . 1 . . . . . 79 VAL CA . 28089 1 282 . 1 . 1 79 79 VAL CB C 13 32.622 0.3 . 1 . . . . . 79 VAL CB . 28089 1 283 . 1 . 1 79 79 VAL N N 15 115.046 0.3 . 1 . . . . . 79 VAL N . 28089 1 284 . 1 . 1 80 80 ASN H H 1 8.669 0.020 . 1 . . . . . 80 ASN H . 28089 1 285 . 1 . 1 80 80 ASN CA C 13 51.062 0.3 . 1 . . . . . 80 ASN CA . 28089 1 286 . 1 . 1 80 80 ASN CB C 13 33.820 0.3 . 1 . . . . . 80 ASN CB . 28089 1 287 . 1 . 1 80 80 ASN N N 15 118.638 0.3 . 1 . . . . . 80 ASN N . 28089 1 288 . 1 . 1 81 81 VAL H H 1 7.673 0.020 . 1 . . . . . 81 VAL H . 28089 1 289 . 1 . 1 81 81 VAL CA C 13 60.561 0.3 . 1 . . . . . 81 VAL CA . 28089 1 290 . 1 . 1 81 81 VAL CB C 13 28.392 0.3 . 1 . . . . . 81 VAL CB . 28089 1 291 . 1 . 1 81 81 VAL N N 15 116.591 0.3 . 1 . . . . . 81 VAL N . 28089 1 292 . 1 . 1 82 82 GLN H H 1 9.237 0.020 . 1 . . . . . 82 GLN H . 28089 1 293 . 1 . 1 82 82 GLN CA C 13 51.621 0.3 . 1 . . . . . 82 GLN CA . 28089 1 294 . 1 . 1 82 82 GLN CB C 13 30.228 0.3 . 1 . . . . . 82 GLN CB . 28089 1 295 . 1 . 1 82 82 GLN N N 15 127.760 0.3 . 1 . . . . . 82 GLN N . 28089 1 296 . 1 . 1 83 83 GLN H H 1 8.936 0.020 . 1 . . . . . 83 GLN H . 28089 1 297 . 1 . 1 83 83 GLN CA C 13 54.574 0.3 . 1 . . . . . 83 GLN CA . 28089 1 298 . 1 . 1 83 83 GLN CB C 13 26.316 0.3 . 1 . . . . . 83 GLN CB . 28089 1 299 . 1 . 1 83 83 GLN N N 15 123.204 0.3 . 1 . . . . . 83 GLN N . 28089 1 300 . 1 . 1 84 84 VAL H H 1 8.095 0.020 . 1 . . . . . 84 VAL H . 28089 1 301 . 1 . 1 84 84 VAL CA C 13 59.683 0.3 . 1 . . . . . 84 VAL CA . 28089 1 302 . 1 . 1 84 84 VAL CB C 13 29.988 0.3 . 1 . . . . . 84 VAL CB . 28089 1 303 . 1 . 1 84 84 VAL N N 15 122.460 0.3 . 1 . . . . . 84 VAL N . 28089 1 304 . 1 . 1 85 85 SER H H 1 8.350 0.020 . 1 . . . . . 85 SER H . 28089 1 305 . 1 . 1 85 85 SER CA C 13 55.213 0.3 . 1 . . . . . 85 SER CA . 28089 1 306 . 1 . 1 85 85 SER CB C 13 61.040 0.3 . 1 . . . . . 85 SER CB . 28089 1 307 . 1 . 1 85 85 SER N N 15 118.748 0.3 . 1 . . . . . 85 SER N . 28089 1 308 . 1 . 1 86 86 LEU H H 1 8.251 0.020 . 1 . . . . . 86 LEU H . 28089 1 309 . 1 . 1 86 86 LEU CA C 13 52.499 0.3 . 1 . . . . . 86 LEU CA . 28089 1 310 . 1 . 1 86 86 LEU CB C 13 39.487 0.3 . 1 . . . . . 86 LEU CB . 28089 1 311 . 1 . 1 86 86 LEU N N 15 124.695 0.3 . 1 . . . . . 86 LEU N . 28089 1 312 . 1 . 1 87 87 HIS H H 1 7.826 0.020 . 1 . . . . . 87 HIS H . 28089 1 313 . 1 . 1 87 87 HIS CA C 13 53.936 0.3 . 1 . . . . . 87 HIS CA . 28089 1 314 . 1 . 1 87 87 HIS CB C 13 27.514 0.3 . 1 . . . . . 87 HIS CB . 28089 1 315 . 1 . 1 87 87 HIS N N 15 123.331 0.3 . 1 . . . . . 87 HIS N . 28089 1 stop_ save_