data_51394 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51394 _Entry.Title ; drosophila pAbp RRM4 ; _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 RRM4 (L276-A362)' _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 51394 2 Bernd Simon . . . 0000-0003-0164-5516 51394 3 Janosch Hennig . . . 0000-0001-5214-7002 51394 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' . 51394 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51394 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 149 51394 '15N chemical shifts' 78 51394 '1H chemical shifts' 78 51394 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 . 51394 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51392 'drosophila pAbp RRM2' 51394 BMRB 51393 'drosophila pAbp RRM3' 51394 BMRB 51395 'drosophila pAbp PABC' 51394 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51394 _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. . . 51394 1 2 Pravin Jagtap . K.A. . . 51394 1 3 Johanna-Barbara Linse . . . . 51394 1 4 Philip Ullmann . . . . 51394 1 5 Marco Payr . . . . 51394 1 6 Brice Murciano . . . . 51394 1 7 Bernd Simon . . . . 51394 1 8 Jochen Hub . . . . 51394 1 9 Janosch Hennig . . . . 51394 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51394 _Assembly.ID 1 _Assembly.Name 'drosophila pAbp RRM4' _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 RRM4' 1 $entity_1 . . yes native no no . . . 51394 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51394 _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 ; LKQKRHESVFGVNLYVKNLD DTIDDDRLRIAFSPYGNITS AKVMTDEEGRSKGFGFVCFN AASEATCAVTELNGRVVGSK PLYVALA ; _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 87 _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 . . . . . . . . . . . . . . 51394 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 LEU . 51394 1 2 4 LYS . 51394 1 3 5 GLN . 51394 1 4 6 LYS . 51394 1 5 7 ARG . 51394 1 6 8 HIS . 51394 1 7 9 GLU . 51394 1 8 10 SER . 51394 1 9 11 VAL . 51394 1 10 12 PHE . 51394 1 11 13 GLY . 51394 1 12 14 VAL . 51394 1 13 15 ASN . 51394 1 14 16 LEU . 51394 1 15 17 TYR . 51394 1 16 18 VAL . 51394 1 17 19 LYS . 51394 1 18 20 ASN . 51394 1 19 21 LEU . 51394 1 20 22 ASP . 51394 1 21 23 ASP . 51394 1 22 24 THR . 51394 1 23 25 ILE . 51394 1 24 26 ASP . 51394 1 25 27 ASP . 51394 1 26 28 ASP . 51394 1 27 29 ARG . 51394 1 28 30 LEU . 51394 1 29 31 ARG . 51394 1 30 32 ILE . 51394 1 31 33 ALA . 51394 1 32 34 PHE . 51394 1 33 35 SER . 51394 1 34 36 PRO . 51394 1 35 37 TYR . 51394 1 36 38 GLY . 51394 1 37 39 ASN . 51394 1 38 40 ILE . 51394 1 39 41 THR . 51394 1 40 42 SER . 51394 1 41 43 ALA . 51394 1 42 44 LYS . 51394 1 43 45 VAL . 51394 1 44 46 MET . 51394 1 45 47 THR . 51394 1 46 48 ASP . 51394 1 47 49 GLU . 51394 1 48 50 GLU . 51394 1 49 51 GLY . 51394 1 50 52 ARG . 51394 1 51 53 SER . 51394 1 52 54 LYS . 51394 1 53 55 GLY . 51394 1 54 56 PHE . 51394 1 55 57 GLY . 51394 1 56 58 PHE . 51394 1 57 59 VAL . 51394 1 58 60 CYS . 51394 1 59 61 PHE . 51394 1 60 62 ASN . 51394 1 61 63 ALA . 51394 1 62 64 ALA . 51394 1 63 65 SER . 51394 1 64 66 GLU . 51394 1 65 67 ALA . 51394 1 66 68 THR . 51394 1 67 69 CYS . 51394 1 68 70 ALA . 51394 1 69 71 VAL . 51394 1 70 72 THR . 51394 1 71 73 GLU . 51394 1 72 74 LEU . 51394 1 73 75 ASN . 51394 1 74 76 GLY . 51394 1 75 77 ARG . 51394 1 76 78 VAL . 51394 1 77 79 VAL . 51394 1 78 80 GLY . 51394 1 79 81 SER . 51394 1 80 82 LYS . 51394 1 81 83 PRO . 51394 1 82 84 LEU . 51394 1 83 85 TYR . 51394 1 84 86 VAL . 51394 1 85 87 ALA . 51394 1 86 88 LEU . 51394 1 87 89 ALA . 51394 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 . LEU 1 1 51394 1 . LYS 2 2 51394 1 . GLN 3 3 51394 1 . LYS 4 4 51394 1 . ARG 5 5 51394 1 . HIS 6 6 51394 1 . GLU 7 7 51394 1 . SER 8 8 51394 1 . VAL 9 9 51394 1 . PHE 10 10 51394 1 . GLY 11 11 51394 1 . VAL 12 12 51394 1 . ASN 13 13 51394 1 . LEU 14 14 51394 1 . TYR 15 15 51394 1 . VAL 16 16 51394 1 . LYS 17 17 51394 1 . ASN 18 18 51394 1 . LEU 19 19 51394 1 . ASP 20 20 51394 1 . ASP 21 21 51394 1 . THR 22 22 51394 1 . ILE 23 23 51394 1 . ASP 24 24 51394 1 . ASP 25 25 51394 1 . ASP 26 26 51394 1 . ARG 27 27 51394 1 . LEU 28 28 51394 1 . ARG 29 29 51394 1 . ILE 30 30 51394 1 . ALA 31 31 51394 1 . PHE 32 32 51394 1 . SER 33 33 51394 1 . PRO 34 34 51394 1 . TYR 35 35 51394 1 . GLY 36 36 51394 1 . ASN 37 37 51394 1 . ILE 38 38 51394 1 . THR 39 39 51394 1 . SER 40 40 51394 1 . ALA 41 41 51394 1 . LYS 42 42 51394 1 . VAL 43 43 51394 1 . MET 44 44 51394 1 . THR 45 45 51394 1 . ASP 46 46 51394 1 . GLU 47 47 51394 1 . GLU 48 48 51394 1 . GLY 49 49 51394 1 . ARG 50 50 51394 1 . SER 51 51 51394 1 . LYS 52 52 51394 1 . GLY 53 53 51394 1 . PHE 54 54 51394 1 . GLY 55 55 51394 1 . PHE 56 56 51394 1 . VAL 57 57 51394 1 . CYS 58 58 51394 1 . PHE 59 59 51394 1 . ASN 60 60 51394 1 . ALA 61 61 51394 1 . ALA 62 62 51394 1 . SER 63 63 51394 1 . GLU 64 64 51394 1 . ALA 65 65 51394 1 . THR 66 66 51394 1 . CYS 67 67 51394 1 . ALA 68 68 51394 1 . VAL 69 69 51394 1 . THR 70 70 51394 1 . GLU 71 71 51394 1 . LEU 72 72 51394 1 . ASN 73 73 51394 1 . GLY 74 74 51394 1 . ARG 75 75 51394 1 . VAL 76 76 51394 1 . VAL 77 77 51394 1 . GLY 78 78 51394 1 . SER 79 79 51394 1 . LYS 80 80 51394 1 . PRO 81 81 51394 1 . LEU 82 82 51394 1 . TYR 83 83 51394 1 . VAL 84 84 51394 1 . ALA 85 85 51394 1 . LEU 86 86 51394 1 . ALA 87 87 51394 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 51394 _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 . . . . . . . . . . . . . 51394 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 51394 _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 . . . 51394 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51394 _Sample.ID 1 _Sample.Name 'pAbp RRM4' _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 RRM4' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.3 . . mM . . . . 51394 1 2 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 51394 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 51394 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51394 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 51394 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 51394 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'pAbp RRM4 - 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 51394 1 pressure 1 . atm 51394 1 temperature 298 . K 51394 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51394 _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 . 51394 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51394 _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 . 51394 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51394 _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' . 51394 3 'peak picking' . 51394 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 51394 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III 700 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 51394 _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 . . . . . . . . . . . . . . . . . 51394 1 2 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51394 1 3 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51394 1 4 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51394 1 5 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51394 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 51394 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'pAbp RRM4' _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 . . . . . 51394 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . 51394 1 N 15 water protons . . . . ppm 4.773 internal indirect 0.101329118 . . . . . 51394 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 51394 _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' . . . 51394 1 3 '3D HNCACB' . . . 51394 1 4 '3D CBCA(CO)NH' . . . 51394 1 5 '3D HNCO' . . . 51394 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 . . 51394 1 2 $software_2 . . 51394 1 3 $software_3 . . 51394 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 5 5 ARG H H 1 8.367 0.020 . 1 . . . . . 7 ARG H . 51394 1 2 . 1 . 1 5 5 ARG CA C 13 55.657 0.3 . 1 . . . . . 7 ARG CA . 51394 1 3 . 1 . 1 5 5 ARG CB C 13 29.672 0.3 . 1 . . . . . 7 ARG CB . 51394 1 4 . 1 . 1 5 5 ARG N N 15 121.927 0.3 . 1 . . . . . 7 ARG N . 51394 1 5 . 1 . 1 6 6 HIS H H 1 8.436 0.020 . 1 . . . . . 8 HIS H . 51394 1 6 . 1 . 1 6 6 HIS CA C 13 56.304 0.3 . 1 . . . . . 8 HIS CA . 51394 1 7 . 1 . 1 6 6 HIS CB C 13 32.980 0.3 . 1 . . . . . 8 HIS CB . 51394 1 8 . 1 . 1 6 6 HIS N N 15 123.551 0.3 . 1 . . . . . 8 HIS N . 51394 1 9 . 1 . 1 7 7 GLU H H 1 8.425 0.020 . 1 . . . . . 9 GLU H . 51394 1 10 . 1 . 1 7 7 GLU CA C 13 56.337 0.3 . 1 . . . . . 9 GLU CA . 51394 1 11 . 1 . 1 7 7 GLU CB C 13 30.472 0.3 . 1 . . . . . 9 GLU CB . 51394 1 12 . 1 . 1 7 7 GLU N N 15 122.718 0.3 . 1 . . . . . 9 GLU N . 51394 1 13 . 1 . 1 8 8 SER H H 1 8.438 0.020 . 1 . . . . . 10 SER H . 51394 1 14 . 1 . 1 8 8 SER CA C 13 58.320 0.3 . 1 . . . . . 10 SER CA . 51394 1 15 . 1 . 1 8 8 SER CB C 13 63.751 0.3 . 1 . . . . . 10 SER CB . 51394 1 16 . 1 . 1 8 8 SER N N 15 117.170 0.3 . 1 . . . . . 10 SER N . 51394 1 17 . 1 . 1 9 9 VAL H H 1 8.044 0.020 . 1 . . . . . 11 VAL H . 51394 1 18 . 1 . 1 9 9 VAL CA C 13 62.096 0.3 . 1 . . . . . 11 VAL CA . 51394 1 19 . 1 . 1 9 9 VAL CB C 13 32.639 0.3 . 1 . . . . . 11 VAL CB . 51394 1 20 . 1 . 1 9 9 VAL N N 15 121.398 0.3 . 1 . . . . . 11 VAL N . 51394 1 21 . 1 . 1 10 10 PHE H H 1 8.263 0.020 . 1 . . . . . 12 PHE H . 51394 1 22 . 1 . 1 10 10 PHE CA C 13 57.717 0.3 . 1 . . . . . 12 PHE CA . 51394 1 23 . 1 . 1 10 10 PHE CB C 13 40.032 0.3 . 1 . . . . . 12 PHE CB . 51394 1 24 . 1 . 1 10 10 PHE N N 15 123.541 0.3 . 1 . . . . . 12 PHE N . 51394 1 25 . 1 . 1 11 11 GLY H H 1 8.093 0.020 . 1 . . . . . 13 GLY H . 51394 1 26 . 1 . 1 11 11 GLY CA C 13 45.346 0.3 . 1 . . . . . 13 GLY CA . 51394 1 27 . 1 . 1 11 11 GLY N N 15 110.925 0.3 . 1 . . . . . 13 GLY N . 51394 1 28 . 1 . 1 12 12 VAL H H 1 8.181 0.020 . 1 . . . . . 14 VAL H . 51394 1 29 . 1 . 1 12 12 VAL CA C 13 61.930 0.3 . 1 . . . . . 14 VAL CA . 51394 1 30 . 1 . 1 12 12 VAL CB C 13 33.094 0.3 . 1 . . . . . 14 VAL CB . 51394 1 31 . 1 . 1 12 12 VAL N N 15 115.546 0.3 . 1 . . . . . 14 VAL N . 51394 1 32 . 1 . 1 13 13 ASN H H 1 8.319 0.020 . 1 . . . . . 15 ASN H . 51394 1 33 . 1 . 1 13 13 ASN CA C 13 52.760 0.3 . 1 . . . . . 15 ASN CA . 51394 1 34 . 1 . 1 13 13 ASN CB C 13 40.941 0.3 . 1 . . . . . 15 ASN CB . 51394 1 35 . 1 . 1 13 13 ASN N N 15 122.745 0.3 . 1 . . . . . 15 ASN N . 51394 1 36 . 1 . 1 14 14 LEU H H 1 9.619 0.020 . 1 . . . . . 16 LEU H . 51394 1 37 . 1 . 1 14 14 LEU CA C 13 53.768 0.3 . 1 . . . . . 16 LEU CA . 51394 1 38 . 1 . 1 14 14 LEU CB C 13 43.785 0.3 . 1 . . . . . 16 LEU CB . 51394 1 39 . 1 . 1 14 14 LEU N N 15 123.884 0.3 . 1 . . . . . 16 LEU N . 51394 1 40 . 1 . 1 15 15 TYR H H 1 9.278 0.020 . 1 . . . . . 17 TYR H . 51394 1 41 . 1 . 1 15 15 TYR CA C 13 55.499 0.3 . 1 . . . . . 17 TYR CA . 51394 1 42 . 1 . 1 15 15 TYR CB C 13 40.714 0.3 . 1 . . . . . 17 TYR CB . 51394 1 43 . 1 . 1 15 15 TYR N N 15 124.156 0.3 . 1 . . . . . 17 TYR N . 51394 1 44 . 1 . 1 16 16 VAL H H 1 8.227 0.020 . 1 . . . . . 18 VAL H . 51394 1 45 . 1 . 1 16 16 VAL CA C 13 59.263 0.3 . 1 . . . . . 18 VAL CA . 51394 1 46 . 1 . 1 16 16 VAL CB C 13 34.004 0.3 . 1 . . . . . 18 VAL CB . 51394 1 47 . 1 . 1 16 16 VAL N N 15 125.956 0.3 . 1 . . . . . 18 VAL N . 51394 1 48 . 1 . 1 17 17 LYS H H 1 9.203 0.020 . 1 . . . . . 19 LYS H . 51394 1 49 . 1 . 1 17 17 LYS CA C 13 54.743 0.3 . 1 . . . . . 19 LYS CA . 51394 1 50 . 1 . 1 17 17 LYS CB C 13 35.880 0.3 . 1 . . . . . 19 LYS CB . 51394 1 51 . 1 . 1 17 17 LYS N N 15 122.818 0.3 . 1 . . . . . 19 LYS N . 51394 1 52 . 1 . 1 18 18 ASN H H 1 8.388 0.020 . 1 . . . . . 20 ASN H . 51394 1 53 . 1 . 1 18 18 ASN CA C 13 53.621 0.3 . 1 . . . . . 20 ASN CA . 51394 1 54 . 1 . 1 18 18 ASN CB C 13 38.376 0.3 . 1 . . . . . 20 ASN CB . 51394 1 55 . 1 . 1 18 18 ASN N N 15 116.161 0.3 . 1 . . . . . 20 ASN N . 51394 1 56 . 1 . 1 19 19 LEU H H 1 7.620 0.020 . 1 . . . . . 21 LEU H . 51394 1 57 . 1 . 1 19 19 LEU CA C 13 53.900 0.3 . 1 . . . . . 21 LEU CA . 51394 1 58 . 1 . 1 19 19 LEU CB C 13 42.982 0.3 . 1 . . . . . 21 LEU CB . 51394 1 59 . 1 . 1 19 19 LEU N N 15 114.436 0.3 . 1 . . . . . 21 LEU N . 51394 1 60 . 1 . 1 20 20 ASP H H 1 8.683 0.020 . 1 . . . . . 22 ASP H . 51394 1 61 . 1 . 1 20 20 ASP CA C 13 53.208 0.3 . 1 . . . . . 22 ASP CA . 51394 1 62 . 1 . 1 20 20 ASP CB C 13 40.885 0.3 . 1 . . . . . 22 ASP CB . 51394 1 63 . 1 . 1 20 20 ASP N N 15 125.162 0.3 . 1 . . . . . 22 ASP N . 51394 1 64 . 1 . 1 21 21 ASP H H 1 8.547 0.020 . 1 . . . . . 23 ASP H . 51394 1 65 . 1 . 1 21 21 ASP CA C 13 56.759 0.3 . 1 . . . . . 23 ASP CA . 51394 1 66 . 1 . 1 21 21 ASP CB C 13 40.600 0.3 . 1 . . . . . 23 ASP CB . 51394 1 67 . 1 . 1 21 21 ASP N N 15 119.529 0.3 . 1 . . . . . 23 ASP N . 51394 1 68 . 1 . 1 22 22 THR H H 1 8.753 0.020 . 1 . . . . . 24 THR H . 51394 1 69 . 1 . 1 22 22 THR CA C 13 62.385 0.3 . 1 . . . . . 24 THR CA . 51394 1 70 . 1 . 1 22 22 THR CB C 13 69.709 0.3 . 1 . . . . . 24 THR CB . 51394 1 71 . 1 . 1 22 22 THR N N 15 109.994 0.3 . 1 . . . . . 24 THR N . 51394 1 72 . 1 . 1 23 23 ILE H H 1 7.408 0.020 . 1 . . . . . 25 ILE H . 51394 1 73 . 1 . 1 23 23 ILE CA C 13 61.847 0.3 . 1 . . . . . 25 ILE CA . 51394 1 74 . 1 . 1 23 23 ILE CB C 13 35.353 0.3 . 1 . . . . . 25 ILE CB . 51394 1 75 . 1 . 1 23 23 ILE N N 15 121.884 0.3 . 1 . . . . . 25 ILE N . 51394 1 76 . 1 . 1 24 24 ASP H H 1 7.417 0.020 . 1 . . . . . 26 ASP H . 51394 1 77 . 1 . 1 24 24 ASP CA C 13 51.519 0.3 . 1 . . . . . 26 ASP CA . 51394 1 78 . 1 . 1 24 24 ASP CB C 13 41.965 0.3 . 1 . . . . . 26 ASP CB . 51394 1 79 . 1 . 1 24 24 ASP N N 15 129.356 0.3 . 1 . . . . . 26 ASP N . 51394 1 80 . 1 . 1 25 25 ASP H H 1 8.089 0.020 . 1 . . . . . 27 ASP H . 51394 1 81 . 1 . 1 25 25 ASP CA C 13 58.570 0.3 . 1 . . . . . 27 ASP CA . 51394 1 82 . 1 . 1 25 25 ASP CB C 13 40.202 0.3 . 1 . . . . . 27 ASP CB . 51394 1 83 . 1 . 1 25 25 ASP N N 15 118.839 0.3 . 1 . . . . . 27 ASP N . 51394 1 84 . 1 . 1 26 26 ASP H H 1 7.905 0.020 . 1 . . . . . 28 ASP H . 51394 1 85 . 1 . 1 26 26 ASP CA C 13 57.572 0.3 . 1 . . . . . 28 ASP CA . 51394 1 86 . 1 . 1 26 26 ASP CB C 13 40.764 0.3 . 1 . . . . . 28 ASP CB . 51394 1 87 . 1 . 1 26 26 ASP N N 15 117.377 0.3 . 1 . . . . . 28 ASP N . 51394 1 88 . 1 . 1 27 27 ARG H H 1 8.420 0.020 . 1 . . . . . 29 ARG H . 51394 1 89 . 1 . 1 27 27 ARG CA C 13 58.854 0.3 . 1 . . . . . 29 ARG CA . 51394 1 90 . 1 . 1 27 27 ARG CB C 13 30.364 0.3 . 1 . . . . . 29 ARG CB . 51394 1 91 . 1 . 1 27 27 ARG N N 15 119.262 0.3 . 1 . . . . . 29 ARG N . 51394 1 92 . 1 . 1 28 28 LEU H H 1 8.588 0.020 . 1 . . . . . 30 LEU H . 51394 1 93 . 1 . 1 28 28 LEU CA C 13 58.027 0.3 . 1 . . . . . 30 LEU CA . 51394 1 94 . 1 . 1 28 28 LEU CB C 13 41.794 0.3 . 1 . . . . . 30 LEU CB . 51394 1 95 . 1 . 1 28 28 LEU N N 15 122.128 0.3 . 1 . . . . . 30 LEU N . 51394 1 96 . 1 . 1 29 29 ARG H H 1 8.052 0.020 . 1 . . . . . 31 ARG H . 51394 1 97 . 1 . 1 29 29 ARG CA C 13 60.336 0.3 . 1 . . . . . 31 ARG CA . 51394 1 98 . 1 . 1 29 29 ARG CB C 13 30.080 0.3 . 1 . . . . . 31 ARG CB . 51394 1 99 . 1 . 1 29 29 ARG N N 15 117.982 0.3 . 1 . . . . . 31 ARG N . 51394 1 100 . 1 . 1 30 30 ILE H H 1 8.491 0.020 . 1 . . . . . 32 ILE H . 51394 1 101 . 1 . 1 30 30 ILE CA C 13 65.279 0.3 . 1 . . . . . 32 ILE CA . 51394 1 102 . 1 . 1 30 30 ILE CB C 13 38.262 0.3 . 1 . . . . . 32 ILE CB . 51394 1 103 . 1 . 1 30 30 ILE N N 15 119.460 0.3 . 1 . . . . . 32 ILE N . 51394 1 104 . 1 . 1 31 31 ALA H H 1 7.886 0.020 . 1 . . . . . 33 ALA H . 51394 1 105 . 1 . 1 31 31 ALA CA C 13 54.678 0.3 . 1 . . . . . 33 ALA CA . 51394 1 106 . 1 . 1 31 31 ALA CB C 13 17.393 0.3 . 1 . . . . . 33 ALA CB . 51394 1 107 . 1 . 1 31 31 ALA N N 15 121.136 0.3 . 1 . . . . . 33 ALA N . 51394 1 108 . 1 . 1 32 32 PHE H H 1 7.552 0.020 . 1 . . . . . 34 PHE H . 51394 1 109 . 1 . 1 32 32 PHE CA C 13 59.816 0.3 . 1 . . . . . 34 PHE CA . 51394 1 110 . 1 . 1 32 32 PHE CB C 13 40.998 0.3 . 1 . . . . . 34 PHE CB . 51394 1 111 . 1 . 1 32 32 PHE N N 15 112.469 0.3 . 1 . . . . . 34 PHE N . 51394 1 112 . 1 . 1 35 35 TYR H H 1 7.379 0.020 . 1 . . . . . 37 TYR H . 51394 1 113 . 1 . 1 35 35 TYR CA C 13 58.938 0.3 . 1 . . . . . 37 TYR CA . 51394 1 114 . 1 . 1 35 35 TYR CB C 13 38.490 0.3 . 1 . . . . . 37 TYR CB . 51394 1 115 . 1 . 1 35 35 TYR N N 15 111.871 0.3 . 1 . . . . . 37 TYR N . 51394 1 116 . 1 . 1 36 36 GLY H H 1 7.469 0.020 . 1 . . . . . 38 GLY H . 51394 1 117 . 1 . 1 36 36 GLY CA C 13 45.093 0.3 . 1 . . . . . 38 GLY CA . 51394 1 118 . 1 . 1 36 36 GLY N N 15 103.920 0.3 . 1 . . . . . 38 GLY N . 51394 1 119 . 1 . 1 37 37 ASN H H 1 8.579 0.020 . 1 . . . . . 39 ASN H . 51394 1 120 . 1 . 1 37 37 ASN CA C 13 53.117 0.3 . 1 . . . . . 39 ASN CA . 51394 1 121 . 1 . 1 37 37 ASN CB C 13 39.122 0.3 . 1 . . . . . 39 ASN CB . 51394 1 122 . 1 . 1 37 37 ASN N N 15 118.330 0.3 . 1 . . . . . 39 ASN N . 51394 1 123 . 1 . 1 38 38 ILE H H 1 8.292 0.020 . 1 . . . . . 40 ILE H . 51394 1 124 . 1 . 1 38 38 ILE CA C 13 60.503 0.3 . 1 . . . . . 40 ILE CA . 51394 1 125 . 1 . 1 38 38 ILE CB C 13 39.122 0.3 . 1 . . . . . 40 ILE CB . 51394 1 126 . 1 . 1 38 38 ILE N N 15 126.250 0.3 . 1 . . . . . 40 ILE N . 51394 1 127 . 1 . 1 39 39 THR H H 1 8.942 0.020 . 1 . . . . . 41 THR H . 51394 1 128 . 1 . 1 39 39 THR CA C 13 62.892 0.3 . 1 . . . . . 41 THR CA . 51394 1 129 . 1 . 1 39 39 THR CB C 13 68.522 0.3 . 1 . . . . . 41 THR CB . 51394 1 130 . 1 . 1 39 39 THR N N 15 121.598 0.3 . 1 . . . . . 41 THR N . 51394 1 131 . 1 . 1 40 40 SER H H 1 7.196 0.020 . 1 . . . . . 42 SER H . 51394 1 132 . 1 . 1 40 40 SER CA C 13 58.158 0.3 . 1 . . . . . 42 SER CA . 51394 1 133 . 1 . 1 40 40 SER CB C 13 64.313 0.3 . 1 . . . . . 42 SER CB . 51394 1 134 . 1 . 1 40 40 SER N N 15 114.554 0.3 . 1 . . . . . 42 SER N . 51394 1 135 . 1 . 1 41 41 ALA H H 1 8.279 0.020 . 1 . . . . . 43 ALA H . 51394 1 136 . 1 . 1 41 41 ALA CA C 13 51.947 0.3 . 1 . . . . . 43 ALA CA . 51394 1 137 . 1 . 1 41 41 ALA CB C 13 20.413 0.3 . 1 . . . . . 43 ALA CB . 51394 1 138 . 1 . 1 41 41 ALA N N 15 126.675 0.3 . 1 . . . . . 43 ALA N . 51394 1 139 . 1 . 1 42 42 LYS H H 1 8.392 0.020 . 1 . . . . . 44 LYS H . 51394 1 140 . 1 . 1 42 42 LYS CA C 13 54.268 0.3 . 1 . . . . . 44 LYS CA . 51394 1 141 . 1 . 1 42 42 LYS CB C 13 36.630 0.3 . 1 . . . . . 44 LYS CB . 51394 1 142 . 1 . 1 42 42 LYS N N 15 122.076 0.3 . 1 . . . . . 44 LYS N . 51394 1 143 . 1 . 1 43 43 VAL H H 1 8.739 0.020 . 1 . . . . . 45 VAL H . 51394 1 144 . 1 . 1 43 43 VAL CA C 13 62.840 0.3 . 1 . . . . . 45 VAL CA . 51394 1 145 . 1 . 1 43 43 VAL CB C 13 32.917 0.3 . 1 . . . . . 45 VAL CB . 51394 1 146 . 1 . 1 43 43 VAL N N 15 125.625 0.3 . 1 . . . . . 45 VAL N . 51394 1 147 . 1 . 1 44 44 MET H H 1 8.753 0.020 . 1 . . . . . 46 MET H . 51394 1 148 . 1 . 1 44 44 MET CA C 13 54.760 0.3 . 1 . . . . . 46 MET CA . 51394 1 149 . 1 . 1 44 44 MET CB C 13 30.933 0.3 . 1 . . . . . 46 MET CB . 51394 1 150 . 1 . 1 44 44 MET N N 15 127.309 0.3 . 1 . . . . . 46 MET N . 51394 1 151 . 1 . 1 45 45 THR H H 1 8.097 0.020 . 1 . . . . . 47 THR H . 51394 1 152 . 1 . 1 45 45 THR CA C 13 59.133 0.3 . 1 . . . . . 47 THR CA . 51394 1 153 . 1 . 1 45 45 THR CB C 13 72.502 0.3 . 1 . . . . . 47 THR CB . 51394 1 154 . 1 . 1 45 45 THR N N 15 112.268 0.3 . 1 . . . . . 47 THR N . 51394 1 155 . 1 . 1 46 46 ASP H H 1 8.712 0.020 . 1 . . . . . 48 ASP H . 51394 1 156 . 1 . 1 46 46 ASP CA C 13 52.207 0.3 . 1 . . . . . 48 ASP CA . 51394 1 157 . 1 . 1 46 46 ASP CB C 13 41.379 0.3 . 1 . . . . . 48 ASP CB . 51394 1 158 . 1 . 1 46 46 ASP N N 15 120.393 0.3 . 1 . . . . . 48 ASP N . 51394 1 159 . 1 . 1 47 47 GLU H H 1 9.157 0.020 . 1 . . . . . 49 GLU H . 51394 1 160 . 1 . 1 47 47 GLU CA C 13 59.423 0.3 . 1 . . . . . 49 GLU CA . 51394 1 161 . 1 . 1 47 47 GLU CB C 13 28.772 0.3 . 1 . . . . . 49 GLU CB . 51394 1 162 . 1 . 1 47 47 GLU N N 15 117.716 0.3 . 1 . . . . . 49 GLU N . 51394 1 163 . 1 . 1 48 48 GLU H H 1 8.152 0.020 . 1 . . . . . 50 GLU H . 51394 1 164 . 1 . 1 48 48 GLU CA C 13 55.751 0.3 . 1 . . . . . 50 GLU CA . 51394 1 165 . 1 . 1 48 48 GLU CB C 13 29.789 0.3 . 1 . . . . . 50 GLU CB . 51394 1 166 . 1 . 1 48 48 GLU N N 15 118.180 0.3 . 1 . . . . . 50 GLU N . 51394 1 167 . 1 . 1 49 49 GLY H H 1 8.101 0.020 . 1 . . . . . 51 GLY H . 51394 1 168 . 1 . 1 49 49 GLY CA C 13 45.248 0.3 . 1 . . . . . 51 GLY CA . 51394 1 169 . 1 . 1 49 49 GLY N N 15 108.170 0.3 . 1 . . . . . 51 GLY N . 51394 1 170 . 1 . 1 50 50 ARG H H 1 8.500 0.020 . 1 . . . . . 52 ARG H . 51394 1 171 . 1 . 1 50 50 ARG CA C 13 55.361 0.3 . 1 . . . . . 52 ARG CA . 51394 1 172 . 1 . 1 50 50 ARG CB C 13 30.080 0.3 . 1 . . . . . 52 ARG CB . 51394 1 173 . 1 . 1 50 50 ARG N N 15 122.000 0.3 . 1 . . . . . 52 ARG N . 51394 1 174 . 1 . 1 51 51 SER H H 1 8.784 0.020 . 1 . . . . . 53 SER H . 51394 1 175 . 1 . 1 51 51 SER CA C 13 58.570 0.3 . 1 . . . . . 53 SER CA . 51394 1 176 . 1 . 1 51 51 SER CB C 13 63.460 0.3 . 1 . . . . . 53 SER CB . 51394 1 177 . 1 . 1 51 51 SER N N 15 116.501 0.3 . 1 . . . . . 53 SER N . 51394 1 178 . 1 . 1 52 52 LYS H H 1 9.035 0.020 . 1 . . . . . 54 LYS H . 51394 1 179 . 1 . 1 52 52 LYS CA C 13 56.467 0.3 . 1 . . . . . 54 LYS CA . 51394 1 180 . 1 . 1 52 52 LYS CB C 13 33.151 0.3 . 1 . . . . . 54 LYS CB . 51394 1 181 . 1 . 1 52 52 LYS N N 15 125.688 0.3 . 1 . . . . . 54 LYS N . 51394 1 182 . 1 . 1 53 53 GLY H H 1 9.396 0.020 . 1 . . . . . 55 GLY H . 51394 1 183 . 1 . 1 53 53 GLY CA C 13 45.793 0.3 . 1 . . . . . 55 GLY CA . 51394 1 184 . 1 . 1 53 53 GLY N N 15 108.109 0.3 . 1 . . . . . 55 GLY N . 51394 1 185 . 1 . 1 54 54 PHE H H 1 7.126 0.020 . 1 . . . . . 56 PHE H . 51394 1 186 . 1 . 1 54 54 PHE CA C 13 54.451 0.3 . 1 . . . . . 56 PHE CA . 51394 1 187 . 1 . 1 54 54 PHE CB C 13 41.851 0.3 . 1 . . . . . 56 PHE CB . 51394 1 188 . 1 . 1 54 54 PHE N N 15 112.884 0.3 . 1 . . . . . 56 PHE N . 51394 1 189 . 1 . 1 55 55 GLY H H 1 9.227 0.020 . 1 . . . . . 57 GLY H . 51394 1 190 . 1 . 1 55 55 GLY CA C 13 45.671 0.3 . 1 . . . . . 57 GLY CA . 51394 1 191 . 1 . 1 55 55 GLY N N 15 106.964 0.3 . 1 . . . . . 57 GLY N . 51394 1 192 . 1 . 1 56 56 PHE H H 1 8.557 0.020 . 1 . . . . . 58 PHE H . 51394 1 193 . 1 . 1 56 56 PHE CA C 13 56.272 0.3 . 1 . . . . . 58 PHE CA . 51394 1 194 . 1 . 1 56 56 PHE CB C 13 43.785 0.3 . 1 . . . . . 58 PHE CB . 51394 1 195 . 1 . 1 56 56 PHE N N 15 114.822 0.3 . 1 . . . . . 58 PHE N . 51394 1 196 . 1 . 1 57 57 VAL H H 1 8.622 0.020 . 1 . . . . . 59 VAL H . 51394 1 197 . 1 . 1 57 57 VAL CA C 13 61.117 0.3 . 1 . . . . . 59 VAL CA . 51394 1 198 . 1 . 1 57 57 VAL CB C 13 35.369 0.3 . 1 . . . . . 59 VAL CB . 51394 1 199 . 1 . 1 57 57 VAL N N 15 122.470 0.3 . 1 . . . . . 59 VAL N . 51394 1 200 . 1 . 1 58 58 CYS H H 1 8.867 0.020 . 1 . . . . . 60 CYS H . 51394 1 201 . 1 . 1 58 58 CYS CA C 13 57.247 0.3 . 1 . . . . . 60 CYS CA . 51394 1 202 . 1 . 1 58 58 CYS CB C 13 29.227 0.3 . 1 . . . . . 60 CYS CB . 51394 1 203 . 1 . 1 58 58 CYS N N 15 126.894 0.3 . 1 . . . . . 60 CYS N . 51394 1 204 . 1 . 1 59 59 PHE H H 1 8.778 0.020 . 1 . . . . . 61 PHE H . 51394 1 205 . 1 . 1 59 59 PHE CA C 13 57.767 0.3 . 1 . . . . . 61 PHE CA . 51394 1 206 . 1 . 1 59 59 PHE CB C 13 42.875 0.3 . 1 . . . . . 61 PHE CB . 51394 1 207 . 1 . 1 59 59 PHE N N 15 125.904 0.3 . 1 . . . . . 61 PHE N . 51394 1 208 . 1 . 1 60 60 ASN H H 1 8.693 0.020 . 1 . . . . . 62 ASN H . 51394 1 209 . 1 . 1 60 60 ASN CA C 13 55.686 0.3 . 1 . . . . . 62 ASN CA . 51394 1 210 . 1 . 1 60 60 ASN CB C 13 40.143 0.3 . 1 . . . . . 62 ASN CB . 51394 1 211 . 1 . 1 60 60 ASN N N 15 117.674 0.3 . 1 . . . . . 62 ASN N . 51394 1 212 . 1 . 1 61 61 ALA H H 1 8.349 0.020 . 1 . . . . . 63 ALA H . 51394 1 213 . 1 . 1 61 61 ALA CA C 13 50.386 0.3 . 1 . . . . . 63 ALA CA . 51394 1 214 . 1 . 1 61 61 ALA CB C 13 21.891 0.3 . 1 . . . . . 63 ALA CB . 51394 1 215 . 1 . 1 61 61 ALA N N 15 118.646 0.3 . 1 . . . . . 63 ALA N . 51394 1 216 . 1 . 1 62 62 ALA H H 1 9.038 0.020 . 1 . . . . . 64 ALA H . 51394 1 217 . 1 . 1 62 62 ALA CA C 13 55.272 0.3 . 1 . . . . . 64 ALA CA . 51394 1 218 . 1 . 1 62 62 ALA CB C 13 17.968 0.3 . 1 . . . . . 64 ALA CB . 51394 1 219 . 1 . 1 62 62 ALA N N 15 126.503 0.3 . 1 . . . . . 64 ALA N . 51394 1 220 . 1 . 1 65 65 ALA H H 1 6.987 0.020 . 1 . . . . . 67 ALA H . 51394 1 221 . 1 . 1 65 65 ALA CA C 13 54.873 0.3 . 1 . . . . . 67 ALA CA . 51394 1 222 . 1 . 1 65 65 ALA CB C 13 18.416 0.3 . 1 . . . . . 67 ALA CB . 51394 1 223 . 1 . 1 65 65 ALA N N 15 119.858 0.3 . 1 . . . . . 67 ALA N . 51394 1 224 . 1 . 1 66 66 THR H H 1 8.367 0.020 . 1 . . . . . 68 THR H . 51394 1 225 . 1 . 1 66 66 THR CA C 13 66.612 0.3 . 1 . . . . . 68 THR CA . 51394 1 226 . 1 . 1 66 66 THR CB C 13 68.629 0.3 . 1 . . . . . 68 THR CB . 51394 1 227 . 1 . 1 66 66 THR N N 15 111.725 0.3 . 1 . . . . . 68 THR N . 51394 1 228 . 1 . 1 67 67 CYS H H 1 7.485 0.020 . 1 . . . . . 69 CYS H . 51394 1 229 . 1 . 1 67 67 CYS CA C 13 62.677 0.3 . 1 . . . . . 69 CYS CA . 51394 1 230 . 1 . 1 67 67 CYS CB C 13 26.384 0.3 . 1 . . . . . 69 CYS CB . 51394 1 231 . 1 . 1 67 67 CYS N N 15 122.397 0.3 . 1 . . . . . 69 CYS N . 51394 1 232 . 1 . 1 68 68 ALA H H 1 7.761 0.020 . 1 . . . . . 70 ALA H . 51394 1 233 . 1 . 1 68 68 ALA CA C 13 55.133 0.3 . 1 . . . . . 70 ALA CA . 51394 1 234 . 1 . 1 68 68 ALA CB C 13 18.934 0.3 . 1 . . . . . 70 ALA CB . 51394 1 235 . 1 . 1 68 68 ALA N N 15 120.520 0.3 . 1 . . . . . 70 ALA N . 51394 1 236 . 1 . 1 69 69 VAL H H 1 7.974 0.020 . 1 . . . . . 71 VAL H . 51394 1 237 . 1 . 1 69 69 VAL CA C 13 66.986 0.3 . 1 . . . . . 71 VAL CA . 51394 1 238 . 1 . 1 69 69 VAL CB C 13 31.615 0.3 . 1 . . . . . 71 VAL CB . 51394 1 239 . 1 . 1 69 69 VAL N N 15 116.445 0.3 . 1 . . . . . 71 VAL N . 51394 1 240 . 1 . 1 70 70 THR H H 1 7.711 0.020 . 1 . . . . . 72 THR H . 51394 1 241 . 1 . 1 70 70 THR CA C 13 66.287 0.3 . 1 . . . . . 72 THR CA . 51394 1 242 . 1 . 1 70 70 THR CB C 13 68.977 0.3 . 1 . . . . . 72 THR CB . 51394 1 243 . 1 . 1 70 70 THR N N 15 113.879 0.3 . 1 . . . . . 72 THR N . 51394 1 244 . 1 . 1 72 72 LEU H H 1 8.102 0.020 . 1 . . . . . 74 LEU H . 51394 1 245 . 1 . 1 72 72 LEU CA C 13 55.133 0.3 . 1 . . . . . 74 LEU CA . 51394 1 246 . 1 . 1 72 72 LEU CB C 13 43.159 0.3 . 1 . . . . . 74 LEU CB . 51394 1 247 . 1 . 1 72 72 LEU N N 15 115.697 0.3 . 1 . . . . . 74 LEU N . 51394 1 248 . 1 . 1 73 73 ASN H H 1 7.643 0.020 . 1 . . . . . 75 ASN H . 51394 1 249 . 1 . 1 73 73 ASN CA C 13 56.597 0.3 . 1 . . . . . 75 ASN CA . 51394 1 250 . 1 . 1 73 73 ASN CB C 13 38.517 0.3 . 1 . . . . . 75 ASN CB . 51394 1 251 . 1 . 1 73 73 ASN N N 15 116.362 0.3 . 1 . . . . . 75 ASN N . 51394 1 252 . 1 . 1 74 74 GLY H H 1 9.310 0.020 . 1 . . . . . 76 GLY H . 51394 1 253 . 1 . 1 74 74 GLY CA C 13 45.434 0.3 . 1 . . . . . 76 GLY CA . 51394 1 254 . 1 . 1 74 74 GLY N N 15 117.507 0.3 . 1 . . . . . 76 GLY N . 51394 1 255 . 1 . 1 75 75 ARG H H 1 8.116 0.020 . 1 . . . . . 77 ARG H . 51394 1 256 . 1 . 1 75 75 ARG CA C 13 55.272 0.3 . 1 . . . . . 77 ARG CA . 51394 1 257 . 1 . 1 75 75 ARG CB C 13 30.933 0.3 . 1 . . . . . 77 ARG CB . 51394 1 258 . 1 . 1 75 75 ARG N N 15 122.715 0.3 . 1 . . . . . 77 ARG N . 51394 1 259 . 1 . 1 76 76 VAL H H 1 8.626 0.020 . 1 . . . . . 78 VAL H . 51394 1 260 . 1 . 1 76 76 VAL CA C 13 64.141 0.3 . 1 . . . . . 78 VAL CA . 51394 1 261 . 1 . 1 76 76 VAL CB C 13 30.551 0.3 . 1 . . . . . 78 VAL CB . 51394 1 262 . 1 . 1 76 76 VAL N N 15 125.824 0.3 . 1 . . . . . 78 VAL N . 51394 1 263 . 1 . 1 77 77 VAL H H 1 7.582 0.020 . 1 . . . . . 79 VAL H . 51394 1 264 . 1 . 1 77 77 VAL CA C 13 62.664 0.3 . 1 . . . . . 79 VAL CA . 51394 1 265 . 1 . 1 77 77 VAL CB C 13 33.435 0.3 . 1 . . . . . 79 VAL CB . 51394 1 266 . 1 . 1 77 77 VAL N N 15 132.000 0.3 . 1 . . . . . 79 VAL N . 51394 1 267 . 1 . 1 78 78 GLY H H 1 8.748 0.020 . 1 . . . . . 80 GLY H . 51394 1 268 . 1 . 1 78 78 GLY CA C 13 46.230 0.3 . 1 . . . . . 80 GLY CA . 51394 1 269 . 1 . 1 78 78 GLY N N 15 115.084 0.3 . 1 . . . . . 80 GLY N . 51394 1 270 . 1 . 1 79 79 SER H H 1 8.793 0.020 . 1 . . . . . 81 SER H . 51394 1 271 . 1 . 1 79 79 SER CA C 13 58.743 0.3 . 1 . . . . . 81 SER CA . 51394 1 272 . 1 . 1 79 79 SER CB C 13 65.110 0.3 . 1 . . . . . 81 SER CB . 51394 1 273 . 1 . 1 79 79 SER N N 15 119.724 0.3 . 1 . . . . . 81 SER N . 51394 1 274 . 1 . 1 80 80 LYS H H 1 7.540 0.020 . 1 . . . . . 82 LYS H . 51394 1 275 . 1 . 1 80 80 LYS CA C 13 53.963 0.3 . 1 . . . . . 82 LYS CA . 51394 1 276 . 1 . 1 80 80 LYS CB C 13 35.027 0.3 . 1 . . . . . 82 LYS CB . 51394 1 277 . 1 . 1 80 80 LYS N N 15 121.259 0.3 . 1 . . . . . 82 LYS N . 51394 1 278 . 1 . 1 82 82 LEU H H 1 8.623 0.020 . 1 . . . . . 84 LEU H . 51394 1 279 . 1 . 1 82 82 LEU CA C 13 55.361 0.3 . 1 . . . . . 84 LEU CA . 51394 1 280 . 1 . 1 82 82 LEU CB C 13 42.875 0.3 . 1 . . . . . 84 LEU CB . 51394 1 281 . 1 . 1 82 82 LEU N N 15 124.754 0.3 . 1 . . . . . 84 LEU N . 51394 1 282 . 1 . 1 83 83 TYR H H 1 7.937 0.020 . 1 . . . . . 85 TYR H . 51394 1 283 . 1 . 1 83 83 TYR CA C 13 56.597 0.3 . 1 . . . . . 85 TYR CA . 51394 1 284 . 1 . 1 83 83 TYR CB C 13 39.688 0.3 . 1 . . . . . 85 TYR CB . 51394 1 285 . 1 . 1 83 83 TYR N N 15 122.612 0.3 . 1 . . . . . 85 TYR N . 51394 1 286 . 1 . 1 84 84 VAL H H 1 8.163 0.020 . 1 . . . . . 86 VAL H . 51394 1 287 . 1 . 1 84 84 VAL CA C 13 60.162 0.3 . 1 . . . . . 86 VAL CA . 51394 1 288 . 1 . 1 84 84 VAL CB C 13 34.857 0.3 . 1 . . . . . 86 VAL CB . 51394 1 289 . 1 . 1 84 84 VAL N N 15 125.735 0.3 . 1 . . . . . 86 VAL N . 51394 1 290 . 1 . 1 85 85 ALA H H 1 8.813 0.020 . 1 . . . . . 87 ALA H . 51394 1 291 . 1 . 1 85 85 ALA CA C 13 50.679 0.3 . 1 . . . . . 87 ALA CA . 51394 1 292 . 1 . 1 85 85 ALA CB C 13 23.654 0.3 . 1 . . . . . 87 ALA CB . 51394 1 293 . 1 . 1 85 85 ALA N N 15 127.165 0.3 . 1 . . . . . 87 ALA N . 51394 1 294 . 1 . 1 86 86 LEU H H 1 8.480 0.020 . 1 . . . . . 88 LEU H . 51394 1 295 . 1 . 1 86 86 LEU CA C 13 56.637 0.3 . 1 . . . . . 88 LEU CA . 51394 1 296 . 1 . 1 86 86 LEU CB C 13 41.567 0.3 . 1 . . . . . 88 LEU CB . 51394 1 297 . 1 . 1 86 86 LEU N N 15 120.938 0.3 . 1 . . . . . 88 LEU N . 51394 1 298 . 1 . 1 87 87 ALA H H 1 8.492 0.020 . 1 . . . . . 89 ALA H . 51394 1 299 . 1 . 1 87 87 ALA CA C 13 53.670 0.3 . 1 . . . . . 89 ALA CA . 51394 1 300 . 1 . 1 87 87 ALA CB C 13 20.015 0.3 . 1 . . . . . 89 ALA CB . 51394 1 301 . 1 . 1 87 87 ALA N N 15 132.085 0.3 . 1 . . . . . 89 ALA N . 51394 1 stop_ save_