data_51395 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51395 _Entry.Title ; drosophila pAbp PABC ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-04-07 _Entry.Accession_date 2022-04-07 _Entry.Last_release_date 2022-04-07 _Entry.Original_release_date 2022-04-07 _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 'drosophila pAbp PABC (K550-N634)' _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 . M. . 0000-0003-3704-0594 51395 2 Bernd Simon . . . 0000-0003-0164-5516 51395 3 Janosch Hennig . . . 0000-0001-5214-7002 51395 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'EMBL Heidelberg' . 51395 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51395 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 144 51395 '15N chemical shifts' 74 51395 '1H chemical shifts' 74 51395 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 . . 2023-07-04 . original BMRB . 51395 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51392 'drosophila pAbp RRM2' 51395 BMRB 51393 'drosophila pAbp RRM3' 51395 BMRB 51394 'drosophila pAbp RRM4' 51395 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51395 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36688322 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Upstream of N-Ras C-terminal cold shock domains mediate poly(A) specificity in a novel RNA recognition mode and bind poly(A) binding protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 51 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1362-4962 _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 1895 _Citation.Page_last 1913 _Citation.Year 2023 _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 . M. . . 51395 1 2 Pravin Jagtap . K.A. . . 51395 1 3 Johanna-Barbara Linse . . . . 51395 1 4 Philip Ullmann . . . . 51395 1 5 Marco Payr . . . . 51395 1 6 Brice Murciano . . . . 51395 1 7 Bernd Simon . . . . 51395 1 8 Jochen Hub . . . . 51395 1 9 Janosch Hennig . . . . 51395 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51395 _Assembly.ID 1 _Assembly.Name 'drosophila pAbp PABC' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 'drosophila pAbp PABC' 1 $entity_1 . . yes native no no . . . 51395 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51395 _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 ; KNSEKLIASLLANAKPQEQK QILGERLYPMIEHMHANLAG KITGMLLEIENSELLHMIED QEALKAKVEEAVAVLQVHRV TEPAN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 85 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _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_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 1 yes UNP P21187 . PABP_DROME . . . . . . . . . . . . . . 51395 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 3 LYS . 51395 1 2 4 ASN . 51395 1 3 5 SER . 51395 1 4 6 GLU . 51395 1 5 7 LYS . 51395 1 6 8 LEU . 51395 1 7 9 ILE . 51395 1 8 10 ALA . 51395 1 9 11 SER . 51395 1 10 12 LEU . 51395 1 11 13 LEU . 51395 1 12 14 ALA . 51395 1 13 15 ASN . 51395 1 14 16 ALA . 51395 1 15 17 LYS . 51395 1 16 18 PRO . 51395 1 17 19 GLN . 51395 1 18 20 GLU . 51395 1 19 21 GLN . 51395 1 20 22 LYS . 51395 1 21 23 GLN . 51395 1 22 24 ILE . 51395 1 23 25 LEU . 51395 1 24 26 GLY . 51395 1 25 27 GLU . 51395 1 26 28 ARG . 51395 1 27 29 LEU . 51395 1 28 30 TYR . 51395 1 29 31 PRO . 51395 1 30 32 MET . 51395 1 31 33 ILE . 51395 1 32 34 GLU . 51395 1 33 35 HIS . 51395 1 34 36 MET . 51395 1 35 37 HIS . 51395 1 36 38 ALA . 51395 1 37 39 ASN . 51395 1 38 40 LEU . 51395 1 39 41 ALA . 51395 1 40 42 GLY . 51395 1 41 43 LYS . 51395 1 42 44 ILE . 51395 1 43 45 THR . 51395 1 44 46 GLY . 51395 1 45 47 MET . 51395 1 46 48 LEU . 51395 1 47 49 LEU . 51395 1 48 50 GLU . 51395 1 49 51 ILE . 51395 1 50 52 GLU . 51395 1 51 53 ASN . 51395 1 52 54 SER . 51395 1 53 55 GLU . 51395 1 54 56 LEU . 51395 1 55 57 LEU . 51395 1 56 58 HIS . 51395 1 57 59 MET . 51395 1 58 60 ILE . 51395 1 59 61 GLU . 51395 1 60 62 ASP . 51395 1 61 63 GLN . 51395 1 62 64 GLU . 51395 1 63 65 ALA . 51395 1 64 66 LEU . 51395 1 65 67 LYS . 51395 1 66 68 ALA . 51395 1 67 69 LYS . 51395 1 68 70 VAL . 51395 1 69 71 GLU . 51395 1 70 72 GLU . 51395 1 71 73 ALA . 51395 1 72 74 VAL . 51395 1 73 75 ALA . 51395 1 74 76 VAL . 51395 1 75 77 LEU . 51395 1 76 78 GLN . 51395 1 77 79 VAL . 51395 1 78 80 HIS . 51395 1 79 81 ARG . 51395 1 80 82 VAL . 51395 1 81 83 THR . 51395 1 82 84 GLU . 51395 1 83 85 PRO . 51395 1 84 86 ALA . 51395 1 85 87 ASN . 51395 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . LYS 1 1 51395 1 . ASN 2 2 51395 1 . SER 3 3 51395 1 . GLU 4 4 51395 1 . LYS 5 5 51395 1 . LEU 6 6 51395 1 . ILE 7 7 51395 1 . ALA 8 8 51395 1 . SER 9 9 51395 1 . LEU 10 10 51395 1 . LEU 11 11 51395 1 . ALA 12 12 51395 1 . ASN 13 13 51395 1 . ALA 14 14 51395 1 . LYS 15 15 51395 1 . PRO 16 16 51395 1 . GLN 17 17 51395 1 . GLU 18 18 51395 1 . GLN 19 19 51395 1 . LYS 20 20 51395 1 . GLN 21 21 51395 1 . ILE 22 22 51395 1 . LEU 23 23 51395 1 . GLY 24 24 51395 1 . GLU 25 25 51395 1 . ARG 26 26 51395 1 . LEU 27 27 51395 1 . TYR 28 28 51395 1 . PRO 29 29 51395 1 . MET 30 30 51395 1 . ILE 31 31 51395 1 . GLU 32 32 51395 1 . HIS 33 33 51395 1 . MET 34 34 51395 1 . HIS 35 35 51395 1 . ALA 36 36 51395 1 . ASN 37 37 51395 1 . LEU 38 38 51395 1 . ALA 39 39 51395 1 . GLY 40 40 51395 1 . LYS 41 41 51395 1 . ILE 42 42 51395 1 . THR 43 43 51395 1 . GLY 44 44 51395 1 . MET 45 45 51395 1 . LEU 46 46 51395 1 . LEU 47 47 51395 1 . GLU 48 48 51395 1 . ILE 49 49 51395 1 . GLU 50 50 51395 1 . ASN 51 51 51395 1 . SER 52 52 51395 1 . GLU 53 53 51395 1 . LEU 54 54 51395 1 . LEU 55 55 51395 1 . HIS 56 56 51395 1 . MET 57 57 51395 1 . ILE 58 58 51395 1 . GLU 59 59 51395 1 . ASP 60 60 51395 1 . GLN 61 61 51395 1 . GLU 62 62 51395 1 . ALA 63 63 51395 1 . LEU 64 64 51395 1 . LYS 65 65 51395 1 . ALA 66 66 51395 1 . LYS 67 67 51395 1 . VAL 68 68 51395 1 . GLU 69 69 51395 1 . GLU 70 70 51395 1 . ALA 71 71 51395 1 . VAL 72 72 51395 1 . ALA 73 73 51395 1 . VAL 74 74 51395 1 . LEU 75 75 51395 1 . GLN 76 76 51395 1 . VAL 77 77 51395 1 . HIS 78 78 51395 1 . ARG 79 79 51395 1 . VAL 80 80 51395 1 . THR 81 81 51395 1 . GLU 82 82 51395 1 . PRO 83 83 51395 1 . ALA 84 84 51395 1 . ASN 85 85 51395 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 51395 _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 . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . 51395 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 51395 _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 . . pETM-11 . . . 51395 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51395 _Sample.ID 1 _Sample.Name 'pAbp PABC' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 'pAbp PABC' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.3 . . mM . . . . 51395 1 2 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 51395 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 51395 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51395 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 51395 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 51395 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'pAbp PABC - backbone' _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 51395 1 pressure 1 . atm 51395 1 temperature 298 . K 51395 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51395 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5pl7 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51395 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51395 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51395 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51395 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51395 3 'peak picking' . 51395 3 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 51395 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III 600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 51395 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51395 1 2 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51395 1 3 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51395 1 4 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51395 1 5 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51395 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 51395 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'pAbp PABC' _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 4.773 internal indirect 0.251449530 . . . . . 51395 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . 51395 1 N 15 water protons . . . . ppm 4.773 internal indirect 0.101329118 . . . . . 51395 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 51395 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'pAbp RRM3 backbone' _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 '3D HNCA' . . . 51395 1 3 '3D HNCACB' . . . 51395 1 4 '3D CBCA(CO)NH' . . . 51395 1 5 '3D HNCO' . . . 51395 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51395 1 2 $software_2 . . 51395 1 3 $software_3 . . 51395 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 LYS H H 1 8.346 0.020 . 1 . . . . . 3 LYS H . 51395 1 2 . 1 . 1 1 1 LYS CA C 13 56.585 0.3 . 1 . . . . . 3 LYS CA . 51395 1 3 . 1 . 1 1 1 LYS CB C 13 32.850 0.3 . 1 . . . . . 3 LYS CB . 51395 1 4 . 1 . 1 1 1 LYS N N 15 121.136 0.3 . 1 . . . . . 3 LYS N . 51395 1 5 . 1 . 1 2 2 ASN H H 1 8.629 0.020 . 1 . . . . . 4 ASN H . 51395 1 6 . 1 . 1 2 2 ASN CA C 13 53.636 0.3 . 1 . . . . . 4 ASN CA . 51395 1 7 . 1 . 1 2 2 ASN CB C 13 38.608 0.3 . 1 . . . . . 4 ASN CB . 51395 1 8 . 1 . 1 2 2 ASN N N 15 119.782 0.3 . 1 . . . . . 4 ASN N . 51395 1 9 . 1 . 1 3 3 SER H H 1 8.281 0.020 . 1 . . . . . 5 SER H . 51395 1 10 . 1 . 1 3 3 SER CA C 13 59.043 0.3 . 1 . . . . . 5 SER CA . 51395 1 11 . 1 . 1 3 3 SER CB C 13 63.467 0.3 . 1 . . . . . 5 SER CB . 51395 1 12 . 1 . 1 3 3 SER N N 15 115.960 0.3 . 1 . . . . . 5 SER N . 51395 1 13 . 1 . 1 4 4 GLU H H 1 8.575 0.020 . 1 . . . . . 6 GLU H . 51395 1 14 . 1 . 1 4 4 GLU CA C 13 57.709 0.3 . 1 . . . . . 6 GLU CA . 51395 1 15 . 1 . 1 4 4 GLU CB C 13 29.620 0.3 . 1 . . . . . 6 GLU CB . 51395 1 16 . 1 . 1 4 4 GLU N N 15 123.218 0.3 . 1 . . . . . 6 GLU N . 51395 1 17 . 1 . 1 5 5 LYS H H 1 8.172 0.020 . 1 . . . . . 7 LYS H . 51395 1 18 . 1 . 1 5 5 LYS CA C 13 57.098 0.3 . 1 . . . . . 7 LYS CA . 51395 1 19 . 1 . 1 5 5 LYS CB C 13 32.520 0.3 . 1 . . . . . 7 LYS CB . 51395 1 20 . 1 . 1 5 5 LYS N N 15 120.665 0.3 . 1 . . . . . 7 LYS N . 51395 1 21 . 1 . 1 6 6 LEU H H 1 8.075 0.020 . 1 . . . . . 8 LEU H . 51395 1 22 . 1 . 1 6 6 LEU CA C 13 56.515 0.3 . 1 . . . . . 8 LEU CA . 51395 1 23 . 1 . 1 6 6 LEU CB C 13 41.698 0.3 . 1 . . . . . 8 LEU CB . 51395 1 24 . 1 . 1 6 6 LEU N N 15 122.398 0.3 . 1 . . . . . 8 LEU N . 51395 1 25 . 1 . 1 7 7 ILE H H 1 8.286 0.020 . 1 . . . . . 9 ILE H . 51395 1 26 . 1 . 1 7 7 ILE CA C 13 63.326 0.3 . 1 . . . . . 9 ILE CA . 51395 1 27 . 1 . 1 7 7 ILE CB C 13 37.484 0.3 . 1 . . . . . 9 ILE CB . 51395 1 28 . 1 . 1 7 7 ILE N N 15 121.088 0.3 . 1 . . . . . 9 ILE N . 51395 1 29 . 1 . 1 8 8 ALA H H 1 8.342 0.020 . 1 . . . . . 10 ALA H . 51395 1 30 . 1 . 1 8 8 ALA CA C 13 55.061 0.3 . 1 . . . . . 10 ALA CA . 51395 1 31 . 1 . 1 8 8 ALA CB C 13 18.195 0.3 . 1 . . . . . 10 ALA CB . 51395 1 32 . 1 . 1 8 8 ALA N N 15 123.215 0.3 . 1 . . . . . 10 ALA N . 51395 1 33 . 1 . 1 9 9 SER H H 1 7.828 0.020 . 1 . . . . . 11 SER H . 51395 1 34 . 1 . 1 9 9 SER CA C 13 60.588 0.3 . 1 . . . . . 11 SER CA . 51395 1 35 . 1 . 1 9 9 SER CB C 13 62.905 0.3 . 1 . . . . . 11 SER CB . 51395 1 36 . 1 . 1 9 9 SER N N 15 113.445 0.3 . 1 . . . . . 11 SER N . 51395 1 37 . 1 . 1 10 10 LEU H H 1 7.825 0.020 . 1 . . . . . 12 LEU H . 51395 1 38 . 1 . 1 10 10 LEU CA C 13 56.936 0.3 . 1 . . . . . 12 LEU CA . 51395 1 39 . 1 . 1 10 10 LEU CB C 13 42.049 0.3 . 1 . . . . . 12 LEU CB . 51395 1 40 . 1 . 1 10 10 LEU N N 15 122.391 0.3 . 1 . . . . . 12 LEU N . 51395 1 41 . 1 . 1 11 11 LEU H H 1 8.030 0.020 . 1 . . . . . 13 LEU H . 51395 1 42 . 1 . 1 11 11 LEU CA C 13 56.655 0.3 . 1 . . . . . 13 LEU CA . 51395 1 43 . 1 . 1 11 11 LEU CB C 13 41.979 0.3 . 1 . . . . . 13 LEU CB . 51395 1 44 . 1 . 1 11 11 LEU N N 15 117.474 0.3 . 1 . . . . . 13 LEU N . 51395 1 45 . 1 . 1 12 12 ALA H H 1 7.555 0.020 . 1 . . . . . 14 ALA H . 51395 1 46 . 1 . 1 12 12 ALA CA C 13 54.197 0.3 . 1 . . . . . 14 ALA CA . 51395 1 47 . 1 . 1 12 12 ALA CB C 13 18.524 0.3 . 1 . . . . . 14 ALA CB . 51395 1 48 . 1 . 1 12 12 ALA N N 15 119.920 0.3 . 1 . . . . . 14 ALA N . 51395 1 49 . 1 . 1 13 13 ASN H H 1 7.770 0.020 . 1 . . . . . 15 ASN H . 51395 1 50 . 1 . 1 13 13 ASN CA C 13 52.863 0.3 . 1 . . . . . 15 ASN CA . 51395 1 51 . 1 . 1 13 13 ASN CB C 13 39.310 0.3 . 1 . . . . . 15 ASN CB . 51395 1 52 . 1 . 1 13 13 ASN N N 15 114.145 0.3 . 1 . . . . . 15 ASN N . 51395 1 53 . 1 . 1 14 14 ALA H H 1 7.509 0.020 . 1 . . . . . 16 ALA H . 51395 1 54 . 1 . 1 14 14 ALA CA C 13 51.340 0.3 . 1 . . . . . 16 ALA CA . 51395 1 55 . 1 . 1 14 14 ALA CB C 13 20.372 0.3 . 1 . . . . . 16 ALA CB . 51395 1 56 . 1 . 1 14 14 ALA N N 15 123.320 0.3 . 1 . . . . . 16 ALA N . 51395 1 57 . 1 . 1 15 15 LYS H H 1 8.761 0.020 . 1 . . . . . 17 LYS H . 51395 1 58 . 1 . 1 15 15 LYS CA C 13 55.110 0.3 . 1 . . . . . 17 LYS CA . 51395 1 59 . 1 . 1 15 15 LYS CB C 13 31.164 0.3 . 1 . . . . . 17 LYS CB . 51395 1 60 . 1 . 1 15 15 LYS N N 15 122.225 0.3 . 1 . . . . . 17 LYS N . 51395 1 61 . 1 . 1 17 17 GLN H H 1 9.050 0.020 . 1 . . . . . 19 GLN H . 51395 1 62 . 1 . 1 17 17 GLN CA C 13 58.481 0.3 . 1 . . . . . 19 GLN CA . 51395 1 63 . 1 . 1 17 17 GLN CB C 13 27.934 0.3 . 1 . . . . . 19 GLN CB . 51395 1 64 . 1 . 1 17 17 GLN N N 15 116.408 0.3 . 1 . . . . . 19 GLN N . 51395 1 65 . 1 . 1 18 18 GLU H H 1 7.545 0.020 . 1 . . . . . 20 GLU H . 51395 1 66 . 1 . 1 18 18 GLU CA C 13 58.130 0.3 . 1 . . . . . 20 GLU CA . 51395 1 67 . 1 . 1 18 18 GLU CB C 13 29.971 0.3 . 1 . . . . . 20 GLU CB . 51395 1 68 . 1 . 1 18 18 GLU N N 15 120.277 0.3 . 1 . . . . . 20 GLU N . 51395 1 69 . 1 . 1 19 19 GLN H H 1 8.246 0.020 . 1 . . . . . 21 GLN H . 51395 1 70 . 1 . 1 19 19 GLN CA C 13 59.345 0.3 . 1 . . . . . 21 GLN CA . 51395 1 71 . 1 . 1 19 19 GLN CB C 13 28.307 0.3 . 1 . . . . . 21 GLN CB . 51395 1 72 . 1 . 1 19 19 GLN N N 15 118.065 0.3 . 1 . . . . . 21 GLN N . 51395 1 73 . 1 . 1 20 20 LYS H H 1 7.677 0.020 . 1 . . . . . 22 LYS H . 51395 1 74 . 1 . 1 20 20 LYS CA C 13 58.200 0.3 . 1 . . . . . 22 LYS CA . 51395 1 75 . 1 . 1 20 20 LYS CB C 13 31.796 0.3 . 1 . . . . . 22 LYS CB . 51395 1 76 . 1 . 1 20 20 LYS N N 15 114.886 0.3 . 1 . . . . . 22 LYS N . 51395 1 77 . 1 . 1 21 21 GLN H H 1 7.608 0.020 . 1 . . . . . 23 GLN H . 51395 1 78 . 1 . 1 21 21 GLN CA C 13 58.988 0.3 . 1 . . . . . 23 GLN CA . 51395 1 79 . 1 . 1 21 21 GLN CB C 13 27.885 0.3 . 1 . . . . . 23 GLN CB . 51395 1 80 . 1 . 1 21 21 GLN N N 15 118.915 0.3 . 1 . . . . . 23 GLN N . 51395 1 81 . 1 . 1 22 22 ILE H H 1 8.066 0.020 . 1 . . . . . 24 ILE H . 51395 1 82 . 1 . 1 22 22 ILE CA C 13 64.752 0.3 . 1 . . . . . 24 ILE CA . 51395 1 83 . 1 . 1 22 22 ILE CB C 13 38.348 0.3 . 1 . . . . . 24 ILE CB . 51395 1 84 . 1 . 1 22 22 ILE N N 15 120.600 0.3 . 1 . . . . . 24 ILE N . 51395 1 85 . 1 . 1 23 23 LEU H H 1 8.030 0.020 . 1 . . . . . 25 LEU H . 51395 1 86 . 1 . 1 23 23 LEU CA C 13 58.221 0.3 . 1 . . . . . 25 LEU CA . 51395 1 87 . 1 . 1 23 23 LEU CB C 13 41.508 0.3 . 1 . . . . . 25 LEU CB . 51395 1 88 . 1 . 1 23 23 LEU N N 15 119.179 0.3 . 1 . . . . . 25 LEU N . 51395 1 89 . 1 . 1 24 24 GLY H H 1 8.925 0.020 . 1 . . . . . 26 GLY H . 51395 1 90 . 1 . 1 24 24 GLY CA C 13 48.229 0.3 . 1 . . . . . 26 GLY CA . 51395 1 91 . 1 . 1 24 24 GLY N N 15 107.810 0.3 . 1 . . . . . 26 GLY N . 51395 1 92 . 1 . 1 25 25 GLU H H 1 8.051 0.020 . 1 . . . . . 27 GLU H . 51395 1 93 . 1 . 1 25 25 GLU CA C 13 58.783 0.3 . 1 . . . . . 27 GLU CA . 51395 1 94 . 1 . 1 25 25 GLU CB C 13 29.430 0.3 . 1 . . . . . 27 GLU CB . 51395 1 95 . 1 . 1 25 25 GLU N N 15 120.105 0.3 . 1 . . . . . 27 GLU N . 51395 1 96 . 1 . 1 26 26 ARG H H 1 7.445 0.020 . 1 . . . . . 28 ARG H . 51395 1 97 . 1 . 1 26 26 ARG CA C 13 56.606 0.3 . 1 . . . . . 28 ARG CA . 51395 1 98 . 1 . 1 26 26 ARG CB C 13 30.132 0.3 . 1 . . . . . 28 ARG CB . 51395 1 99 . 1 . 1 26 26 ARG N N 15 116.517 0.3 . 1 . . . . . 28 ARG N . 51395 1 100 . 1 . 1 27 27 LEU H H 1 8.417 0.020 . 1 . . . . . 29 LEU H . 51395 1 101 . 1 . 1 27 27 LEU CA C 13 57.308 0.3 . 1 . . . . . 29 LEU CA . 51395 1 102 . 1 . 1 27 27 LEU CB C 13 44.036 0.3 . 1 . . . . . 29 LEU CB . 51395 1 103 . 1 . 1 27 27 LEU N N 15 118.692 0.3 . 1 . . . . . 29 LEU N . 51395 1 104 . 1 . 1 28 28 TYR H H 1 8.427 0.020 . 1 . . . . . 30 TYR H . 51395 1 105 . 1 . 1 28 28 TYR CA C 13 63.980 0.3 . 1 . . . . . 30 TYR CA . 51395 1 106 . 1 . 1 28 28 TYR CB C 13 35.610 0.3 . 1 . . . . . 30 TYR CB . 51395 1 107 . 1 . 1 28 28 TYR N N 15 118.248 0.3 . 1 . . . . . 30 TYR N . 51395 1 108 . 1 . 1 30 30 MET H H 1 7.017 0.020 . 1 . . . . . 32 MET H . 51395 1 109 . 1 . 1 30 30 MET CA C 13 58.622 0.3 . 1 . . . . . 32 MET CA . 51395 1 110 . 1 . 1 30 30 MET CB C 13 32.990 0.3 . 1 . . . . . 32 MET CB . 51395 1 111 . 1 . 1 30 30 MET N N 15 114.890 0.3 . 1 . . . . . 32 MET N . 51395 1 112 . 1 . 1 31 31 ILE H H 1 7.902 0.020 . 1 . . . . . 33 ILE H . 51395 1 113 . 1 . 1 31 31 ILE CA C 13 64.380 0.3 . 1 . . . . . 33 ILE CA . 51395 1 114 . 1 . 1 31 31 ILE CB C 13 37.133 0.3 . 1 . . . . . 33 ILE CB . 51395 1 115 . 1 . 1 31 31 ILE N N 15 120.094 0.3 . 1 . . . . . 33 ILE N . 51395 1 116 . 1 . 1 32 32 GLU H H 1 8.891 0.020 . 1 . . . . . 34 GLU H . 51395 1 117 . 1 . 1 32 32 GLU CA C 13 59.043 0.3 . 1 . . . . . 34 GLU CA . 51395 1 118 . 1 . 1 32 32 GLU CB C 13 29.339 0.3 . 1 . . . . . 34 GLU CB . 51395 1 119 . 1 . 1 32 32 GLU N N 15 123.060 0.3 . 1 . . . . . 34 GLU N . 51395 1 120 . 1 . 1 33 33 HIS H H 1 7.145 0.020 . 1 . . . . . 35 HIS H . 51395 1 121 . 1 . 1 33 33 HIS CA C 13 57.638 0.3 . 1 . . . . . 35 HIS CA . 51395 1 122 . 1 . 1 33 33 HIS CB C 13 29.339 0.3 . 1 . . . . . 35 HIS CB . 51395 1 123 . 1 . 1 33 33 HIS N N 15 112.520 0.3 . 1 . . . . . 35 HIS N . 51395 1 124 . 1 . 1 34 34 MET H H 1 7.410 0.020 . 1 . . . . . 36 MET H . 51395 1 125 . 1 . 1 34 34 MET CA C 13 57.944 0.3 . 1 . . . . . 36 MET CA . 51395 1 126 . 1 . 1 34 34 MET CB C 13 34.697 0.3 . 1 . . . . . 36 MET CB . 51395 1 127 . 1 . 1 34 34 MET N N 15 116.384 0.3 . 1 . . . . . 36 MET N . 51395 1 128 . 1 . 1 35 35 HIS H H 1 8.207 0.020 . 1 . . . . . 37 HIS H . 51395 1 129 . 1 . 1 35 35 HIS CA C 13 54.991 0.3 . 1 . . . . . 37 HIS CA . 51395 1 130 . 1 . 1 35 35 HIS CB C 13 31.186 0.3 . 1 . . . . . 37 HIS CB . 51395 1 131 . 1 . 1 35 35 HIS N N 15 117.660 0.3 . 1 . . . . . 37 HIS N . 51395 1 132 . 1 . 1 36 36 ALA H H 1 8.616 0.020 . 1 . . . . . 38 ALA H . 51395 1 133 . 1 . 1 36 36 ALA CA C 13 56.515 0.3 . 1 . . . . . 38 ALA CA . 51395 1 134 . 1 . 1 36 36 ALA CB C 13 18.384 0.3 . 1 . . . . . 38 ALA CB . 51395 1 135 . 1 . 1 36 36 ALA N N 15 127.552 0.3 . 1 . . . . . 38 ALA N . 51395 1 136 . 1 . 1 37 37 ASN H H 1 8.715 0.020 . 1 . . . . . 39 ASN H . 51395 1 137 . 1 . 1 37 37 ASN CA C 13 55.181 0.3 . 1 . . . . . 39 ASN CA . 51395 1 138 . 1 . 1 37 37 ASN CB C 13 37.765 0.3 . 1 . . . . . 39 ASN CB . 51395 1 139 . 1 . 1 37 37 ASN N N 15 113.867 0.3 . 1 . . . . . 39 ASN N . 51395 1 140 . 1 . 1 38 38 LEU H H 1 7.668 0.020 . 1 . . . . . 40 LEU H . 51395 1 141 . 1 . 1 38 38 LEU CA C 13 53.868 0.3 . 1 . . . . . 40 LEU CA . 51395 1 142 . 1 . 1 38 38 LEU CB C 13 43.404 0.3 . 1 . . . . . 40 LEU CB . 51395 1 143 . 1 . 1 38 38 LEU N N 15 117.803 0.3 . 1 . . . . . 40 LEU N . 51395 1 144 . 1 . 1 39 39 ALA H H 1 7.527 0.020 . 1 . . . . . 41 ALA H . 51395 1 145 . 1 . 1 39 39 ALA CA C 13 56.445 0.3 . 1 . . . . . 41 ALA CA . 51395 1 146 . 1 . 1 39 39 ALA CB C 13 17.682 0.3 . 1 . . . . . 41 ALA CB . 51395 1 147 . 1 . 1 39 39 ALA N N 15 121.969 0.3 . 1 . . . . . 41 ALA N . 51395 1 148 . 1 . 1 40 40 GLY H H 1 9.127 0.020 . 1 . . . . . 42 GLY H . 51395 1 149 . 1 . 1 40 40 GLY CA C 13 47.547 0.3 . 1 . . . . . 42 GLY CA . 51395 1 150 . 1 . 1 40 40 GLY N N 15 109.368 0.3 . 1 . . . . . 42 GLY N . 51395 1 151 . 1 . 1 41 41 LYS H H 1 7.911 0.020 . 1 . . . . . 43 LYS H . 51395 1 152 . 1 . 1 41 41 LYS CA C 13 58.502 0.3 . 1 . . . . . 43 LYS CA . 51395 1 153 . 1 . 1 41 41 LYS CB C 13 32.941 0.3 . 1 . . . . . 43 LYS CB . 51395 1 154 . 1 . 1 41 41 LYS N N 15 123.765 0.3 . 1 . . . . . 43 LYS N . 51395 1 155 . 1 . 1 42 42 ILE H H 1 8.660 0.020 . 1 . . . . . 44 ILE H . 51395 1 156 . 1 . 1 42 42 ILE CA C 13 65.082 0.3 . 1 . . . . . 44 ILE CA . 51395 1 157 . 1 . 1 42 42 ILE CB C 13 38.748 0.3 . 1 . . . . . 44 ILE CB . 51395 1 158 . 1 . 1 42 42 ILE N N 15 118.507 0.3 . 1 . . . . . 44 ILE N . 51395 1 159 . 1 . 1 43 43 THR H H 1 8.406 0.020 . 1 . . . . . 45 THR H . 51395 1 160 . 1 . 1 43 43 THR CA C 13 69.036 0.3 . 1 . . . . . 45 THR CA . 51395 1 161 . 1 . 1 43 43 THR CB C 13 68.053 0.3 . 1 . . . . . 45 THR CB . 51395 1 162 . 1 . 1 43 43 THR N N 15 116.644 0.3 . 1 . . . . . 45 THR N . 51395 1 163 . 1 . 1 44 44 GLY H H 1 7.690 0.020 . 1 . . . . . 46 GLY H . 51395 1 164 . 1 . 1 44 44 GLY CA C 13 47.423 0.3 . 1 . . . . . 46 GLY CA . 51395 1 165 . 1 . 1 44 44 GLY N N 15 104.395 0.3 . 1 . . . . . 46 GLY N . 51395 1 166 . 1 . 1 45 45 MET H H 1 7.563 0.020 . 1 . . . . . 47 MET H . 51395 1 167 . 1 . 1 45 45 MET CA C 13 58.832 0.3 . 1 . . . . . 47 MET CA . 51395 1 168 . 1 . 1 45 45 MET CB C 13 33.903 0.3 . 1 . . . . . 47 MET CB . 51395 1 169 . 1 . 1 45 45 MET N N 15 119.543 0.3 . 1 . . . . . 47 MET N . 51395 1 170 . 1 . 1 47 47 LEU H H 1 7.856 0.020 . 1 . . . . . 49 LEU H . 51395 1 171 . 1 . 1 47 47 LEU CA C 13 56.655 0.3 . 1 . . . . . 49 LEU CA . 51395 1 172 . 1 . 1 47 47 LEU CB C 13 41.557 0.3 . 1 . . . . . 49 LEU CB . 51395 1 173 . 1 . 1 47 47 LEU N N 15 115.124 0.3 . 1 . . . . . 49 LEU N . 51395 1 174 . 1 . 1 48 48 GLU H H 1 7.181 0.020 . 1 . . . . . 50 GLU H . 51395 1 175 . 1 . 1 48 48 GLU CA C 13 57.147 0.3 . 1 . . . . . 50 GLU CA . 51395 1 176 . 1 . 1 48 48 GLU CB C 13 29.830 0.3 . 1 . . . . . 50 GLU CB . 51395 1 177 . 1 . 1 48 48 GLU N N 15 116.355 0.3 . 1 . . . . . 50 GLU N . 51395 1 178 . 1 . 1 49 49 ILE H H 1 7.815 0.020 . 1 . . . . . 51 ILE H . 51395 1 179 . 1 . 1 49 49 ILE CA C 13 61.928 0.3 . 1 . . . . . 51 ILE CA . 51395 1 180 . 1 . 1 49 49 ILE CB C 13 37.484 0.3 . 1 . . . . . 51 ILE CB . 51395 1 181 . 1 . 1 49 49 ILE N N 15 122.165 0.3 . 1 . . . . . 51 ILE N . 51395 1 182 . 1 . 1 50 50 GLU H H 1 7.957 0.020 . 1 . . . . . 52 GLU H . 51395 1 183 . 1 . 1 50 50 GLU CA C 13 57.341 0.3 . 1 . . . . . 52 GLU CA . 51395 1 184 . 1 . 1 50 50 GLU CB C 13 30.132 0.3 . 1 . . . . . 52 GLU CB . 51395 1 185 . 1 . 1 50 50 GLU N N 15 121.160 0.3 . 1 . . . . . 52 GLU N . 51395 1 186 . 1 . 1 51 51 ASN H H 1 8.659 0.020 . 1 . . . . . 53 ASN H . 51395 1 187 . 1 . 1 51 51 ASN CA C 13 56.655 0.3 . 1 . . . . . 53 ASN CA . 51395 1 188 . 1 . 1 51 51 ASN CB C 13 37.274 0.3 . 1 . . . . . 53 ASN CB . 51395 1 189 . 1 . 1 51 51 ASN N N 15 122.225 0.3 . 1 . . . . . 53 ASN N . 51395 1 190 . 1 . 1 52 52 SER H H 1 8.864 0.020 . 1 . . . . . 54 SER H . 51395 1 191 . 1 . 1 52 52 SER CA C 13 61.571 0.3 . 1 . . . . . 54 SER CA . 51395 1 192 . 1 . 1 52 52 SER CB C 13 61.700 0.3 . 1 . . . . . 54 SER CB . 51395 1 193 . 1 . 1 52 52 SER N N 15 114.015 0.3 . 1 . . . . . 54 SER N . 51395 1 194 . 1 . 1 53 53 GLU H H 1 7.262 0.020 . 1 . . . . . 55 GLU H . 51395 1 195 . 1 . 1 53 53 GLU CA C 13 58.341 0.3 . 1 . . . . . 55 GLU CA . 51395 1 196 . 1 . 1 53 53 GLU CB C 13 29.198 0.3 . 1 . . . . . 55 GLU CB . 51395 1 197 . 1 . 1 53 53 GLU N N 15 123.687 0.3 . 1 . . . . . 55 GLU N . 51395 1 198 . 1 . 1 54 54 LEU H H 1 7.952 0.020 . 1 . . . . . 56 LEU H . 51395 1 199 . 1 . 1 54 54 LEU CA C 13 58.130 0.3 . 1 . . . . . 56 LEU CA . 51395 1 200 . 1 . 1 54 54 LEU CB C 13 42.541 0.3 . 1 . . . . . 56 LEU CB . 51395 1 201 . 1 . 1 54 54 LEU N N 15 121.801 0.3 . 1 . . . . . 56 LEU N . 51395 1 202 . 1 . 1 55 55 LEU H H 1 8.373 0.020 . 1 . . . . . 57 LEU H . 51395 1 203 . 1 . 1 55 55 LEU CA C 13 57.990 0.3 . 1 . . . . . 57 LEU CA . 51395 1 204 . 1 . 1 55 55 LEU CB C 13 41.347 0.3 . 1 . . . . . 57 LEU CB . 51395 1 205 . 1 . 1 55 55 LEU N N 15 117.529 0.3 . 1 . . . . . 57 LEU N . 51395 1 206 . 1 . 1 56 56 HIS H H 1 7.378 0.020 . 1 . . . . . 58 HIS H . 51395 1 207 . 1 . 1 56 56 HIS CA C 13 58.200 0.3 . 1 . . . . . 58 HIS CA . 51395 1 208 . 1 . 1 56 56 HIS CB C 13 28.145 0.3 . 1 . . . . . 58 HIS CB . 51395 1 209 . 1 . 1 56 56 HIS N N 15 116.398 0.3 . 1 . . . . . 58 HIS N . 51395 1 210 . 1 . 1 57 57 MET H H 1 8.065 0.020 . 1 . . . . . 59 MET H . 51395 1 211 . 1 . 1 57 57 MET CA C 13 58.713 0.3 . 1 . . . . . 59 MET CA . 51395 1 212 . 1 . 1 57 57 MET CB C 13 33.644 0.3 . 1 . . . . . 59 MET CB . 51395 1 213 . 1 . 1 57 57 MET N N 15 118.387 0.3 . 1 . . . . . 59 MET N . 51395 1 214 . 1 . 1 58 58 ILE H H 1 7.628 0.020 . 1 . . . . . 60 ILE H . 51395 1 215 . 1 . 1 58 58 ILE CA C 13 64.471 0.3 . 1 . . . . . 60 ILE CA . 51395 1 216 . 1 . 1 58 58 ILE CB C 13 38.046 0.3 . 1 . . . . . 60 ILE CB . 51395 1 217 . 1 . 1 58 58 ILE N N 15 115.695 0.3 . 1 . . . . . 60 ILE N . 51395 1 218 . 1 . 1 59 59 GLU H H 1 7.206 0.020 . 1 . . . . . 61 GLU H . 51395 1 219 . 1 . 1 59 59 GLU CA C 13 56.936 0.3 . 1 . . . . . 61 GLU CA . 51395 1 220 . 1 . 1 59 59 GLU CB C 13 30.462 0.3 . 1 . . . . . 61 GLU CB . 51395 1 221 . 1 . 1 59 59 GLU N N 15 116.754 0.3 . 1 . . . . . 61 GLU N . 51395 1 222 . 1 . 1 60 60 ASP H H 1 7.829 0.020 . 1 . . . . . 62 ASP H . 51395 1 223 . 1 . 1 60 60 ASP CA C 13 52.442 0.3 . 1 . . . . . 62 ASP CA . 51395 1 224 . 1 . 1 60 60 ASP CB C 13 41.417 0.3 . 1 . . . . . 62 ASP CB . 51395 1 225 . 1 . 1 60 60 ASP N N 15 120.304 0.3 . 1 . . . . . 62 ASP N . 51395 1 226 . 1 . 1 61 61 GLN H H 1 8.612 0.020 . 1 . . . . . 63 GLN H . 51395 1 227 . 1 . 1 61 61 GLN CA C 13 58.762 0.3 . 1 . . . . . 63 GLN CA . 51395 1 228 . 1 . 1 61 61 GLN CB C 13 28.496 0.3 . 1 . . . . . 63 GLN CB . 51395 1 229 . 1 . 1 61 61 GLN N N 15 122.880 0.3 . 1 . . . . . 63 GLN N . 51395 1 230 . 1 . 1 62 62 GLU H H 1 8.232 0.020 . 1 . . . . . 64 GLU H . 51395 1 231 . 1 . 1 62 62 GLU CA C 13 59.058 0.3 . 1 . . . . . 64 GLU CA . 51395 1 232 . 1 . 1 62 62 GLU CB C 13 28.636 0.3 . 1 . . . . . 64 GLU CB . 51395 1 233 . 1 . 1 62 62 GLU N N 15 119.462 0.3 . 1 . . . . . 64 GLU N . 51395 1 234 . 1 . 1 63 63 ALA H H 1 7.762 0.020 . 1 . . . . . 65 ALA H . 51395 1 235 . 1 . 1 63 63 ALA CA C 13 54.127 0.3 . 1 . . . . . 65 ALA CA . 51395 1 236 . 1 . 1 63 63 ALA CB C 13 17.752 0.3 . 1 . . . . . 65 ALA CB . 51395 1 237 . 1 . 1 63 63 ALA N N 15 124.555 0.3 . 1 . . . . . 65 ALA N . 51395 1 238 . 1 . 1 64 64 LEU H H 1 7.947 0.020 . 1 . . . . . 66 LEU H . 51395 1 239 . 1 . 1 64 64 LEU CA C 13 58.221 0.3 . 1 . . . . . 66 LEU CA . 51395 1 240 . 1 . 1 64 64 LEU CB C 13 40.244 0.3 . 1 . . . . . 66 LEU CB . 51395 1 241 . 1 . 1 64 64 LEU N N 15 118.915 0.3 . 1 . . . . . 66 LEU N . 51395 1 242 . 1 . 1 65 65 LYS H H 1 8.334 0.020 . 1 . . . . . 67 LYS H . 51395 1 243 . 1 . 1 65 65 LYS CA C 13 60.166 0.3 . 1 . . . . . 67 LYS CA . 51395 1 244 . 1 . 1 65 65 LYS CB C 13 32.358 0.3 . 1 . . . . . 67 LYS CB . 51395 1 245 . 1 . 1 65 65 LYS N N 15 118.318 0.3 . 1 . . . . . 67 LYS N . 51395 1 246 . 1 . 1 66 66 ALA H H 1 7.591 0.020 . 1 . . . . . 68 ALA H . 51395 1 247 . 1 . 1 66 66 ALA CA C 13 55.052 0.3 . 1 . . . . . 68 ALA CA . 51395 1 248 . 1 . 1 66 66 ALA CB C 13 17.914 0.3 . 1 . . . . . 68 ALA CB . 51395 1 249 . 1 . 1 66 66 ALA N N 15 118.866 0.3 . 1 . . . . . 68 ALA N . 51395 1 250 . 1 . 1 67 67 LYS H H 1 7.597 0.020 . 1 . . . . . 69 LYS H . 51395 1 251 . 1 . 1 67 67 LYS CA C 13 56.957 0.3 . 1 . . . . . 69 LYS CA . 51395 1 252 . 1 . 1 67 67 LYS CB C 13 31.888 0.3 . 1 . . . . . 69 LYS CB . 51395 1 253 . 1 . 1 67 67 LYS N N 15 118.180 0.3 . 1 . . . . . 69 LYS N . 51395 1 254 . 1 . 1 68 68 VAL H H 1 8.865 0.020 . 1 . . . . . 70 VAL H . 51395 1 255 . 1 . 1 68 68 VAL CA C 13 67.118 0.3 . 1 . . . . . 70 VAL CA . 51395 1 256 . 1 . 1 68 68 VAL CB C 13 31.445 0.3 . 1 . . . . . 70 VAL CB . 51395 1 257 . 1 . 1 68 68 VAL N N 15 121.638 0.3 . 1 . . . . . 70 VAL N . 51395 1 258 . 1 . 1 72 72 VAL H H 1 8.553 0.020 . 1 . . . . . 74 VAL H . 51395 1 259 . 1 . 1 72 72 VAL CA C 13 66.908 0.3 . 1 . . . . . 74 VAL CA . 51395 1 260 . 1 . 1 72 72 VAL CB C 13 31.305 0.3 . 1 . . . . . 74 VAL CB . 51395 1 261 . 1 . 1 72 72 VAL N N 15 117.777 0.3 . 1 . . . . . 74 VAL N . 51395 1 262 . 1 . 1 73 73 ALA H H 1 7.476 0.020 . 1 . . . . . 75 ALA H . 51395 1 263 . 1 . 1 73 73 ALA CA C 13 54.970 0.3 . 1 . . . . . 75 ALA CA . 51395 1 264 . 1 . 1 73 73 ALA CB C 13 17.682 0.3 . 1 . . . . . 75 ALA CB . 51395 1 265 . 1 . 1 73 73 ALA N N 15 120.297 0.3 . 1 . . . . . 75 ALA N . 51395 1 266 . 1 . 1 74 74 VAL H H 1 7.581 0.020 . 1 . . . . . 76 VAL H . 51395 1 267 . 1 . 1 74 74 VAL CA C 13 65.372 0.3 . 1 . . . . . 76 VAL CA . 51395 1 268 . 1 . 1 74 74 VAL N N 15 117.635 0.3 . 1 . . . . . 76 VAL N . 51395 1 269 . 1 . 1 79 79 ARG H H 1 8.225 0.020 . 1 . . . . . 81 ARG H . 51395 1 270 . 1 . 1 79 79 ARG CA C 13 55.904 0.3 . 1 . . . . . 81 ARG CA . 51395 1 271 . 1 . 1 79 79 ARG CB C 13 30.835 0.3 . 1 . . . . . 81 ARG CB . 51395 1 272 . 1 . 1 79 79 ARG N N 15 122.886 0.3 . 1 . . . . . 81 ARG N . 51395 1 273 . 1 . 1 80 80 VAL H H 1 8.284 0.020 . 1 . . . . . 82 VAL H . 51395 1 274 . 1 . 1 80 80 VAL CA C 13 62.414 0.3 . 1 . . . . . 82 VAL CA . 51395 1 275 . 1 . 1 80 80 VAL CB C 13 32.639 0.3 . 1 . . . . . 82 VAL CB . 51395 1 276 . 1 . 1 80 80 VAL N N 15 121.657 0.3 . 1 . . . . . 82 VAL N . 51395 1 277 . 1 . 1 81 81 THR H H 1 8.191 0.020 . 1 . . . . . 83 THR H . 51395 1 278 . 1 . 1 81 81 THR CA C 13 61.592 0.3 . 1 . . . . . 83 THR CA . 51395 1 279 . 1 . 1 81 81 THR CB C 13 69.668 0.3 . 1 . . . . . 83 THR CB . 51395 1 280 . 1 . 1 81 81 THR N N 15 117.769 0.3 . 1 . . . . . 83 THR N . 51395 1 281 . 1 . 1 82 82 GLU H H 1 8.357 0.020 . 1 . . . . . 84 GLU H . 51395 1 282 . 1 . 1 82 82 GLU CA C 13 54.198 0.3 . 1 . . . . . 84 GLU CA . 51395 1 283 . 1 . 1 82 82 GLU CB C 13 29.549 0.3 . 1 . . . . . 84 GLU CB . 51395 1 284 . 1 . 1 82 82 GLU N N 15 124.953 0.3 . 1 . . . . . 84 GLU N . 51395 1 285 . 1 . 1 84 84 ALA H H 1 8.414 0.020 . 1 . . . . . 86 ALA H . 51395 1 286 . 1 . 1 84 84 ALA CA C 13 52.231 0.3 . 1 . . . . . 86 ALA CA . 51395 1 287 . 1 . 1 84 84 ALA CB C 13 19.156 0.3 . 1 . . . . . 86 ALA CB . 51395 1 288 . 1 . 1 84 84 ALA N N 15 124.956 0.3 . 1 . . . . . 86 ALA N . 51395 1 289 . 1 . 1 85 85 ASN H H 1 7.952 0.020 . 1 . . . . . 87 ASN H . 51395 1 290 . 1 . 1 85 85 ASN CA C 13 54.640 0.3 . 1 . . . . . 87 ASN CA . 51395 1 291 . 1 . 1 85 85 ASN CB C 13 40.385 0.3 . 1 . . . . . 87 ASN CB . 51395 1 292 . 1 . 1 85 85 ASN N N 15 123.302 0.3 . 1 . . . . . 87 ASN N . 51395 1 stop_ save_