data_51392 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51392 _Entry.Title ; drosophila pAbp RRM2 ; _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 RRM2 (G90-G176)' _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 51392 2 Bernd Simon . . . 0000-0003-0164-5516 51392 3 Janosch Hennig . . . 0000-0001-5214-7002 51392 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' . 51392 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51392 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 136 51392 '15N chemical shifts' 73 51392 '1H chemical shifts' 73 51392 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 . 51392 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51393 'drosophila pAbp RRM3' 51392 BMRB 51394 'drosophila pAbp RRM4' 51392 BMRB 51395 'drosophila pAbp PABC' 51392 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51392 _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. . . 51392 1 2 Pravin Jagtap . K.A. . . 51392 1 3 Johanna-Barbara Linse . . . . 51392 1 4 Philip Ullmann . . . . 51392 1 5 Marco Payr . . . . 51392 1 6 Brice Murciano . . . . 51392 1 7 Bernd Simon . . . . 51392 1 8 Jochen Hub . . . . 51392 1 9 Janosch Hennig . . . . 51392 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51392 _Assembly.ID 1 _Assembly.Name 'drosophila pAbp RRM2' _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 RRM2' 1 $entity_1 . . yes native no no . . . 51392 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51392 _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 ; GNVFIKNLDRAIDNKAIYDT FSAFGNILSCKVATDEKGNS KGYGFVHFETEEAANTSIDK VNGMLLNGKKVYVGKFIPRK ER ; _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 82 _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 . . . . . . . . . . . . . . 51392 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 51392 1 2 . ASN . 51392 1 3 . VAL . 51392 1 4 . PHE . 51392 1 5 . ILE . 51392 1 6 . LYS . 51392 1 7 . ASN . 51392 1 8 . LEU . 51392 1 9 . ASP . 51392 1 10 . ARG . 51392 1 11 . ALA . 51392 1 12 . ILE . 51392 1 13 . ASP . 51392 1 14 . ASN . 51392 1 15 . LYS . 51392 1 16 . ALA . 51392 1 17 . ILE . 51392 1 18 . TYR . 51392 1 19 . ASP . 51392 1 20 . THR . 51392 1 21 . PHE . 51392 1 22 . SER . 51392 1 23 . ALA . 51392 1 24 . PHE . 51392 1 25 . GLY . 51392 1 26 . ASN . 51392 1 27 . ILE . 51392 1 28 . LEU . 51392 1 29 . SER . 51392 1 30 . CYS . 51392 1 31 . LYS . 51392 1 32 . VAL . 51392 1 33 . ALA . 51392 1 34 . THR . 51392 1 35 . ASP . 51392 1 36 . GLU . 51392 1 37 . LYS . 51392 1 38 . GLY . 51392 1 39 . ASN . 51392 1 40 . SER . 51392 1 41 . LYS . 51392 1 42 . GLY . 51392 1 43 . TYR . 51392 1 44 . GLY . 51392 1 45 . PHE . 51392 1 46 . VAL . 51392 1 47 . HIS . 51392 1 48 . PHE . 51392 1 49 . GLU . 51392 1 50 . THR . 51392 1 51 . GLU . 51392 1 52 . GLU . 51392 1 53 . ALA . 51392 1 54 . ALA . 51392 1 55 . ASN . 51392 1 56 . THR . 51392 1 57 . SER . 51392 1 58 . ILE . 51392 1 59 . ASP . 51392 1 60 . LYS . 51392 1 61 . VAL . 51392 1 62 . ASN . 51392 1 63 . GLY . 51392 1 64 . MET . 51392 1 65 . LEU . 51392 1 66 . LEU . 51392 1 67 . ASN . 51392 1 68 . GLY . 51392 1 69 . LYS . 51392 1 70 . LYS . 51392 1 71 . VAL . 51392 1 72 . TYR . 51392 1 73 . VAL . 51392 1 74 . GLY . 51392 1 75 . LYS . 51392 1 76 . PHE . 51392 1 77 . ILE . 51392 1 78 . PRO . 51392 1 79 . ARG . 51392 1 80 . LYS . 51392 1 81 . GLU . 51392 1 82 . ARG . 51392 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 51392 1 . ASN 2 2 51392 1 . VAL 3 3 51392 1 . PHE 4 4 51392 1 . ILE 5 5 51392 1 . LYS 6 6 51392 1 . ASN 7 7 51392 1 . LEU 8 8 51392 1 . ASP 9 9 51392 1 . ARG 10 10 51392 1 . ALA 11 11 51392 1 . ILE 12 12 51392 1 . ASP 13 13 51392 1 . ASN 14 14 51392 1 . LYS 15 15 51392 1 . ALA 16 16 51392 1 . ILE 17 17 51392 1 . TYR 18 18 51392 1 . ASP 19 19 51392 1 . THR 20 20 51392 1 . PHE 21 21 51392 1 . SER 22 22 51392 1 . ALA 23 23 51392 1 . PHE 24 24 51392 1 . GLY 25 25 51392 1 . ASN 26 26 51392 1 . ILE 27 27 51392 1 . LEU 28 28 51392 1 . SER 29 29 51392 1 . CYS 30 30 51392 1 . LYS 31 31 51392 1 . VAL 32 32 51392 1 . ALA 33 33 51392 1 . THR 34 34 51392 1 . ASP 35 35 51392 1 . GLU 36 36 51392 1 . LYS 37 37 51392 1 . GLY 38 38 51392 1 . ASN 39 39 51392 1 . SER 40 40 51392 1 . LYS 41 41 51392 1 . GLY 42 42 51392 1 . TYR 43 43 51392 1 . GLY 44 44 51392 1 . PHE 45 45 51392 1 . VAL 46 46 51392 1 . HIS 47 47 51392 1 . PHE 48 48 51392 1 . GLU 49 49 51392 1 . THR 50 50 51392 1 . GLU 51 51 51392 1 . GLU 52 52 51392 1 . ALA 53 53 51392 1 . ALA 54 54 51392 1 . ASN 55 55 51392 1 . THR 56 56 51392 1 . SER 57 57 51392 1 . ILE 58 58 51392 1 . ASP 59 59 51392 1 . LYS 60 60 51392 1 . VAL 61 61 51392 1 . ASN 62 62 51392 1 . GLY 63 63 51392 1 . MET 64 64 51392 1 . LEU 65 65 51392 1 . LEU 66 66 51392 1 . ASN 67 67 51392 1 . GLY 68 68 51392 1 . LYS 69 69 51392 1 . LYS 70 70 51392 1 . VAL 71 71 51392 1 . TYR 72 72 51392 1 . VAL 73 73 51392 1 . GLY 74 74 51392 1 . LYS 75 75 51392 1 . PHE 76 76 51392 1 . ILE 77 77 51392 1 . PRO 78 78 51392 1 . ARG 79 79 51392 1 . LYS 80 80 51392 1 . GLU 81 81 51392 1 . ARG 82 82 51392 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 51392 _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 . . . . . . . . . . . . . 51392 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 51392 _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 . . . 51392 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51392 _Sample.ID 1 _Sample.Name 'pAbp RRM2' _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 RRM2' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.3 . . mM . . . . 51392 1 2 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 51392 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 51392 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51392 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 51392 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 51392 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'pAbp RRM2 - 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 51392 1 pressure 1 . atm 51392 1 temperature 298 . K 51392 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51392 _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 . 51392 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51392 _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 . 51392 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51392 _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' . 51392 3 'peak picking' . 51392 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 51392 _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 51392 _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 . . . . . . . . . . . . . . . . . 51392 1 2 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51392 1 3 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51392 1 4 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51392 1 5 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51392 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 51392 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'pAbp RRM2' _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 . . . . . 51392 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . 51392 1 N 15 water protons . . . . ppm 4.773 internal indirect 0.101329118 . . . . . 51392 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 51392 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'pAbp RRM2 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' . . . 51392 1 3 '3D HNCACB' . . . 51392 1 4 '3D CBCA(CO)NH' . . . 51392 1 5 '3D HNCO' . . . 51392 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 . . 51392 1 2 $software_2 . . 51392 1 3 $software_3 . . 51392 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 VAL H H 1 7.875 0.020 . 1 . . . . . 3 VAL H . 51392 1 2 . 1 . 1 3 3 VAL CA C 13 57.652 0.3 . 1 . . . . . 3 VAL CA . 51392 1 3 . 1 . 1 3 3 VAL N N 15 118.668 0.3 . 1 . . . . . 3 VAL N . 51392 1 4 . 1 . 1 4 4 PHE H H 1 8.099 0.020 . 1 . . . . . 4 PHE H . 51392 1 5 . 1 . 1 4 4 PHE CA C 13 54.179 0.3 . 1 . . . . . 4 PHE CA . 51392 1 6 . 1 . 1 4 4 PHE CB C 13 41.191 0.3 . 1 . . . . . 4 PHE CB . 51392 1 7 . 1 . 1 4 4 PHE N N 15 121.388 0.3 . 1 . . . . . 4 PHE N . 51392 1 8 . 1 . 1 5 5 ILE H H 1 7.870 0.020 . 1 . . . . . 5 ILE H . 51392 1 9 . 1 . 1 5 5 ILE CA C 13 58.552 0.3 . 1 . . . . . 5 ILE CA . 51392 1 10 . 1 . 1 5 5 ILE CB C 13 38.551 0.3 . 1 . . . . . 5 ILE CB . 51392 1 11 . 1 . 1 5 5 ILE N N 15 121.912 0.3 . 1 . . . . . 5 ILE N . 51392 1 12 . 1 . 1 6 6 LYS H H 1 9.204 0.020 . 1 . . . . . 6 LYS H . 51392 1 13 . 1 . 1 6 6 LYS CA C 13 54.910 0.3 . 1 . . . . . 6 LYS CA . 51392 1 14 . 1 . 1 6 6 LYS N N 15 122.103 0.3 . 1 . . . . . 6 LYS N . 51392 1 15 . 1 . 1 7 7 ASN H H 1 8.567 0.020 . 1 . . . . . 7 ASN H . 51392 1 16 . 1 . 1 7 7 ASN CA C 13 53.934 0.3 . 1 . . . . . 7 ASN CA . 51392 1 17 . 1 . 1 7 7 ASN CB C 13 37.996 0.3 . 1 . . . . . 7 ASN CB . 51392 1 18 . 1 . 1 7 7 ASN N N 15 117.249 0.3 . 1 . . . . . 7 ASN N . 51392 1 19 . 1 . 1 8 8 LEU H H 1 7.853 0.020 . 1 . . . . . 8 LEU H . 51392 1 20 . 1 . 1 8 8 LEU CA C 13 53.382 0.3 . 1 . . . . . 8 LEU CA . 51392 1 21 . 1 . 1 8 8 LEU CB C 13 43.344 0.3 . 1 . . . . . 8 LEU CB . 51392 1 22 . 1 . 1 8 8 LEU N N 15 114.575 0.3 . 1 . . . . . 8 LEU N . 51392 1 23 . 1 . 1 9 9 ASP H H 1 8.937 0.020 . 1 . . . . . 9 ASP H . 51392 1 24 . 1 . 1 9 9 ASP CA C 13 55.072 0.3 . 1 . . . . . 9 ASP CA . 51392 1 25 . 1 . 1 9 9 ASP CB C 13 44.872 0.3 . 1 . . . . . 9 ASP CB . 51392 1 26 . 1 . 1 9 9 ASP N N 15 124.528 0.3 . 1 . . . . . 9 ASP N . 51392 1 27 . 1 . 1 10 10 ARG H H 1 8.628 0.020 . 1 . . . . . 10 ARG H . 51392 1 28 . 1 . 1 10 10 ARG CA C 13 58.487 0.3 . 1 . . . . . 10 ARG CA . 51392 1 29 . 1 . 1 10 10 ARG CB C 13 29.383 0.3 . 1 . . . . . 10 ARG CB . 51392 1 30 . 1 . 1 10 10 ARG N N 15 125.304 0.3 . 1 . . . . . 10 ARG N . 51392 1 31 . 1 . 1 11 11 ALA H H 1 8.258 0.020 . 1 . . . . . 11 ALA H . 51392 1 32 . 1 . 1 11 11 ALA CA C 13 52.377 0.3 . 1 . . . . . 11 ALA CA . 51392 1 33 . 1 . 1 11 11 ALA CB C 13 18.826 0.3 . 1 . . . . . 11 ALA CB . 51392 1 34 . 1 . 1 11 11 ALA N N 15 120.080 0.3 . 1 . . . . . 11 ALA N . 51392 1 35 . 1 . 1 12 12 ILE H H 1 7.447 0.020 . 1 . . . . . 12 ILE H . 51392 1 36 . 1 . 1 12 12 ILE CA C 13 61.611 0.3 . 1 . . . . . 12 ILE CA . 51392 1 37 . 1 . 1 12 12 ILE CB C 13 35.565 0.3 . 1 . . . . . 12 ILE CB . 51392 1 38 . 1 . 1 12 12 ILE N N 15 119.666 0.3 . 1 . . . . . 12 ILE N . 51392 1 39 . 1 . 1 13 13 ASP H H 1 7.735 0.020 . 1 . . . . . 13 ASP H . 51392 1 40 . 1 . 1 13 13 ASP CA C 13 51.262 0.3 . 1 . . . . . 13 ASP CA . 51392 1 41 . 1 . 1 13 13 ASP CB C 13 42.858 0.3 . 1 . . . . . 13 ASP CB . 51392 1 42 . 1 . 1 13 13 ASP N N 15 129.020 0.3 . 1 . . . . . 13 ASP N . 51392 1 43 . 1 . 1 15 15 LYS H H 1 7.795 0.020 . 1 . . . . . 15 LYS H . 51392 1 44 . 1 . 1 15 15 LYS CA C 13 59.041 0.3 . 1 . . . . . 15 LYS CA . 51392 1 45 . 1 . 1 15 15 LYS CB C 13 31.606 0.3 . 1 . . . . . 15 LYS CB . 51392 1 46 . 1 . 1 15 15 LYS N N 15 120.228 0.3 . 1 . . . . . 15 LYS N . 51392 1 47 . 1 . 1 16 16 ALA H H 1 7.918 0.020 . 1 . . . . . 16 ALA H . 51392 1 48 . 1 . 1 16 16 ALA CA C 13 54.943 0.3 . 1 . . . . . 16 ALA CA . 51392 1 49 . 1 . 1 16 16 ALA CB C 13 18.618 0.3 . 1 . . . . . 16 ALA CB . 51392 1 50 . 1 . 1 16 16 ALA N N 15 121.226 0.3 . 1 . . . . . 16 ALA N . 51392 1 51 . 1 . 1 17 17 ILE H H 1 7.952 0.020 . 1 . . . . . 17 ILE H . 51392 1 52 . 1 . 1 17 17 ILE CA C 13 63.104 0.3 . 1 . . . . . 17 ILE CA . 51392 1 53 . 1 . 1 17 17 ILE CB C 13 35.982 0.3 . 1 . . . . . 17 ILE CB . 51392 1 54 . 1 . 1 17 17 ILE N N 15 117.919 0.3 . 1 . . . . . 17 ILE N . 51392 1 55 . 1 . 1 18 18 TYR H H 1 8.584 0.020 . 1 . . . . . 18 TYR H . 51392 1 56 . 1 . 1 18 18 TYR CA C 13 62.876 0.3 . 1 . . . . . 18 TYR CA . 51392 1 57 . 1 . 1 18 18 TYR CB C 13 38.204 0.3 . 1 . . . . . 18 TYR CB . 51392 1 58 . 1 . 1 18 18 TYR N N 15 124.247 0.3 . 1 . . . . . 18 TYR N . 51392 1 59 . 1 . 1 19 19 ASP H H 1 9.046 0.020 . 1 . . . . . 19 ASP H . 51392 1 60 . 1 . 1 19 19 ASP CA C 13 57.479 0.3 . 1 . . . . . 19 ASP CA . 51392 1 61 . 1 . 1 19 19 ASP CB C 13 39.802 0.3 . 1 . . . . . 19 ASP CB . 51392 1 62 . 1 . 1 19 19 ASP N N 15 119.835 0.3 . 1 . . . . . 19 ASP N . 51392 1 63 . 1 . 1 20 20 THR H H 1 7.833 0.020 . 1 . . . . . 20 THR H . 51392 1 64 . 1 . 1 20 20 THR CA C 13 66.485 0.3 . 1 . . . . . 20 THR CA . 51392 1 65 . 1 . 1 20 20 THR CB C 13 69.042 0.3 . 1 . . . . . 20 THR CB . 51392 1 66 . 1 . 1 20 20 THR N N 15 116.122 0.3 . 1 . . . . . 20 THR N . 51392 1 67 . 1 . 1 21 21 PHE H H 1 8.428 0.020 . 1 . . . . . 21 PHE H . 51392 1 68 . 1 . 1 21 21 PHE CA C 13 61.445 0.3 . 1 . . . . . 21 PHE CA . 51392 1 69 . 1 . 1 21 21 PHE CB C 13 39.385 0.3 . 1 . . . . . 21 PHE CB . 51392 1 70 . 1 . 1 21 21 PHE N N 15 116.922 0.3 . 1 . . . . . 21 PHE N . 51392 1 71 . 1 . 1 22 22 SER H H 1 8.597 0.020 . 1 . . . . . 22 SER H . 51392 1 72 . 1 . 1 22 22 SER CA C 13 61.023 0.3 . 1 . . . . . 22 SER CA . 51392 1 73 . 1 . 1 22 22 SER CB C 13 62.236 0.3 . 1 . . . . . 22 SER CB . 51392 1 74 . 1 . 1 22 22 SER N N 15 116.696 0.3 . 1 . . . . . 22 SER N . 51392 1 75 . 1 . 1 23 23 ALA H H 1 6.956 0.020 . 1 . . . . . 23 ALA H . 51392 1 76 . 1 . 1 23 23 ALA CA C 13 53.345 0.3 . 1 . . . . . 23 ALA CA . 51392 1 77 . 1 . 1 23 23 ALA CB C 13 18.201 0.3 . 1 . . . . . 23 ALA CB . 51392 1 78 . 1 . 1 23 23 ALA N N 15 121.263 0.3 . 1 . . . . . 23 ALA N . 51392 1 79 . 1 . 1 24 24 PHE H H 1 7.427 0.020 . 1 . . . . . 24 PHE H . 51392 1 80 . 1 . 1 24 24 PHE CA C 13 58.277 0.3 . 1 . . . . . 24 PHE CA . 51392 1 81 . 1 . 1 24 24 PHE CB C 13 39.038 0.3 . 1 . . . . . 24 PHE CB . 51392 1 82 . 1 . 1 24 24 PHE N N 15 113.120 0.3 . 1 . . . . . 24 PHE N . 51392 1 83 . 1 . 1 25 25 GLY H H 1 7.318 0.020 . 1 . . . . . 25 GLY H . 51392 1 84 . 1 . 1 25 25 GLY CA C 13 44.667 0.3 . 1 . . . . . 25 GLY CA . 51392 1 85 . 1 . 1 25 25 GLY N N 15 104.435 0.3 . 1 . . . . . 25 GLY N . 51392 1 86 . 1 . 1 26 26 ASN H H 1 8.350 0.020 . 1 . . . . . 26 ASN H . 51392 1 87 . 1 . 1 26 26 ASN CA C 13 53.762 0.3 . 1 . . . . . 26 ASN CA . 51392 1 88 . 1 . 1 26 26 ASN CB C 13 38.343 0.3 . 1 . . . . . 26 ASN CB . 51392 1 89 . 1 . 1 26 26 ASN N N 15 115.532 0.3 . 1 . . . . . 26 ASN N . 51392 1 90 . 1 . 1 27 27 ILE H H 1 8.781 0.020 . 1 . . . . . 27 ILE H . 51392 1 91 . 1 . 1 27 27 ILE CA C 13 61.836 0.3 . 1 . . . . . 27 ILE CA . 51392 1 92 . 1 . 1 27 27 ILE CB C 13 39.454 0.3 . 1 . . . . . 27 ILE CB . 51392 1 93 . 1 . 1 27 27 ILE N N 15 127.796 0.3 . 1 . . . . . 27 ILE N . 51392 1 94 . 1 . 1 28 28 LEU H H 1 9.094 0.020 . 1 . . . . . 28 LEU H . 51392 1 95 . 1 . 1 28 28 LEU CA C 13 56.145 0.3 . 1 . . . . . 28 LEU CA . 51392 1 96 . 1 . 1 28 28 LEU N N 15 128.697 0.3 . 1 . . . . . 28 LEU N . 51392 1 97 . 1 . 1 29 29 SER H H 1 8.252 0.020 . 1 . . . . . 29 SER H . 51392 1 98 . 1 . 1 29 29 SER CA C 13 58.226 0.3 . 1 . . . . . 29 SER CA . 51392 1 99 . 1 . 1 29 29 SER CB C 13 63.972 0.3 . 1 . . . . . 29 SER CB . 51392 1 100 . 1 . 1 29 29 SER N N 15 116.065 0.3 . 1 . . . . . 29 SER N . 51392 1 101 . 1 . 1 30 30 CYS H H 1 8.306 0.020 . 1 . . . . . 30 CYS H . 51392 1 102 . 1 . 1 30 30 CYS CA C 13 54.804 0.3 . 1 . . . . . 30 CYS CA . 51392 1 103 . 1 . 1 30 30 CYS CB C 13 40.843 0.3 . 1 . . . . . 30 CYS CB . 51392 1 104 . 1 . 1 30 30 CYS N N 15 121.807 0.3 . 1 . . . . . 30 CYS N . 51392 1 105 . 1 . 1 31 31 LYS H H 1 8.331 0.020 . 1 . . . . . 31 LYS H . 51392 1 106 . 1 . 1 31 31 LYS CA C 13 55.885 0.3 . 1 . . . . . 31 LYS CA . 51392 1 107 . 1 . 1 31 31 LYS CB C 13 36.537 0.3 . 1 . . . . . 31 LYS CB . 51392 1 108 . 1 . 1 31 31 LYS N N 15 120.514 0.3 . 1 . . . . . 31 LYS N . 51392 1 109 . 1 . 1 32 32 VAL H H 1 8.432 0.020 . 1 . . . . . 32 VAL H . 51392 1 110 . 1 . 1 32 32 VAL CA C 13 61.888 0.3 . 1 . . . . . 32 VAL CA . 51392 1 111 . 1 . 1 32 32 VAL CB C 13 33.134 0.3 . 1 . . . . . 32 VAL CB . 51392 1 112 . 1 . 1 32 32 VAL N N 15 124.279 0.3 . 1 . . . . . 32 VAL N . 51392 1 113 . 1 . 1 33 33 ALA H H 1 8.763 0.020 . 1 . . . . . 33 ALA H . 51392 1 114 . 1 . 1 33 33 ALA CA C 13 52.699 0.3 . 1 . . . . . 33 ALA CA . 51392 1 115 . 1 . 1 33 33 ALA CB C 13 19.451 0.3 . 1 . . . . . 33 ALA CB . 51392 1 116 . 1 . 1 33 33 ALA N N 15 131.149 0.3 . 1 . . . . . 33 ALA N . 51392 1 117 . 1 . 1 34 34 THR H H 1 8.112 0.020 . 1 . . . . . 34 THR H . 51392 1 118 . 1 . 1 34 34 THR CA C 13 59.041 0.3 . 1 . . . . . 34 THR CA . 51392 1 119 . 1 . 1 34 34 THR CB C 13 72.862 0.3 . 1 . . . . . 34 THR CB . 51392 1 120 . 1 . 1 34 34 THR N N 15 111.859 0.3 . 1 . . . . . 34 THR N . 51392 1 121 . 1 . 1 35 35 ASP H H 1 8.579 0.020 . 1 . . . . . 35 ASP H . 51392 1 122 . 1 . 1 35 35 ASP CA C 13 52.146 0.3 . 1 . . . . . 35 ASP CA . 51392 1 123 . 1 . 1 35 35 ASP CB C 13 41.260 0.3 . 1 . . . . . 35 ASP CB . 51392 1 124 . 1 . 1 35 35 ASP N N 15 120.372 0.3 . 1 . . . . . 35 ASP N . 51392 1 125 . 1 . 1 36 36 GLU H H 1 9.291 0.020 . 1 . . . . . 36 GLU H . 51392 1 126 . 1 . 1 36 36 GLU CA C 13 58.877 0.3 . 1 . . . . . 36 GLU CA . 51392 1 127 . 1 . 1 36 36 GLU CB C 13 28.758 0.3 . 1 . . . . . 36 GLU CB . 51392 1 128 . 1 . 1 36 36 GLU N N 15 117.924 0.3 . 1 . . . . . 36 GLU N . 51392 1 129 . 1 . 1 37 37 LYS H H 1 8.013 0.020 . 1 . . . . . 37 LYS H . 51392 1 130 . 1 . 1 37 37 LYS CA C 13 55.151 0.3 . 1 . . . . . 37 LYS CA . 51392 1 131 . 1 . 1 37 37 LYS CB C 13 32.578 0.3 . 1 . . . . . 37 LYS CB . 51392 1 132 . 1 . 1 37 37 LYS N N 15 118.905 0.3 . 1 . . . . . 37 LYS N . 51392 1 133 . 1 . 1 38 38 GLY H H 1 7.976 0.020 . 1 . . . . . 38 GLY H . 51392 1 134 . 1 . 1 38 38 GLY CA C 13 45.011 0.3 . 1 . . . . . 38 GLY CA . 51392 1 135 . 1 . 1 38 38 GLY N N 15 107.205 0.3 . 1 . . . . . 38 GLY N . 51392 1 136 . 1 . 1 39 39 ASN H H 1 8.557 0.020 . 1 . . . . . 39 ASN H . 51392 1 137 . 1 . 1 39 39 ASN CA C 13 52.651 0.3 . 1 . . . . . 39 ASN CA . 51392 1 138 . 1 . 1 39 39 ASN CB C 13 38.760 0.3 . 1 . . . . . 39 ASN CB . 51392 1 139 . 1 . 1 39 39 ASN N N 15 119.788 0.3 . 1 . . . . . 39 ASN N . 51392 1 140 . 1 . 1 40 40 SER H H 1 8.944 0.020 . 1 . . . . . 40 SER H . 51392 1 141 . 1 . 1 40 40 SER CA C 13 57.966 0.3 . 1 . . . . . 40 SER CA . 51392 1 142 . 1 . 1 40 40 SER CB C 13 63.833 0.3 . 1 . . . . . 40 SER CB . 51392 1 143 . 1 . 1 40 40 SER N N 15 116.439 0.3 . 1 . . . . . 40 SER N . 51392 1 144 . 1 . 1 41 41 LYS H H 1 8.962 0.020 . 1 . . . . . 41 LYS H . 51392 1 145 . 1 . 1 41 41 LYS CA C 13 56.373 0.3 . 1 . . . . . 41 LYS CA . 51392 1 146 . 1 . 1 41 41 LYS CB C 13 33.551 0.3 . 1 . . . . . 41 LYS CB . 51392 1 147 . 1 . 1 41 41 LYS N N 15 125.766 0.3 . 1 . . . . . 41 LYS N . 51392 1 148 . 1 . 1 42 42 GLY H H 1 9.133 0.020 . 1 . . . . . 42 GLY H . 51392 1 149 . 1 . 1 42 42 GLY CA C 13 45.636 0.3 . 1 . . . . . 42 GLY CA . 51392 1 150 . 1 . 1 42 42 GLY N N 15 106.521 0.3 . 1 . . . . . 42 GLY N . 51392 1 151 . 1 . 1 43 43 TYR H H 1 8.608 0.020 . 1 . . . . . 43 TYR H . 51392 1 152 . 1 . 1 43 43 TYR CA C 13 56.124 0.3 . 1 . . . . . 43 TYR CA . 51392 1 153 . 1 . 1 43 43 TYR CB C 13 43.899 0.3 . 1 . . . . . 43 TYR CB . 51392 1 154 . 1 . 1 43 43 TYR N N 15 115.228 0.3 . 1 . . . . . 43 TYR N . 51392 1 155 . 1 . 1 46 46 VAL H H 1 8.093 0.020 . 1 . . . . . 46 VAL H . 51392 1 156 . 1 . 1 46 46 VAL CA C 13 57.027 0.3 . 1 . . . . . 46 VAL CA . 51392 1 157 . 1 . 1 46 46 VAL CB C 13 32.509 0.3 . 1 . . . . . 46 VAL CB . 51392 1 158 . 1 . 1 46 46 VAL N N 15 120.377 0.3 . 1 . . . . . 46 VAL N . 51392 1 159 . 1 . 1 47 47 HIS H H 1 8.223 0.020 . 1 . . . . . 47 HIS H . 51392 1 160 . 1 . 1 47 47 HIS CA C 13 56.957 0.3 . 1 . . . . . 47 HIS CA . 51392 1 161 . 1 . 1 47 47 HIS CB C 13 29.661 0.3 . 1 . . . . . 47 HIS CB . 51392 1 162 . 1 . 1 47 47 HIS N N 15 119.737 0.3 . 1 . . . . . 47 HIS N . 51392 1 163 . 1 . 1 48 48 PHE H H 1 7.796 0.020 . 1 . . . . . 48 PHE H . 51392 1 164 . 1 . 1 48 48 PHE CA C 13 61.836 0.3 . 1 . . . . . 48 PHE CA . 51392 1 165 . 1 . 1 48 48 PHE N N 15 119.529 0.3 . 1 . . . . . 48 PHE N . 51392 1 166 . 1 . 1 50 50 THR H H 1 7.908 0.020 . 1 . . . . . 50 THR H . 51392 1 167 . 1 . 1 50 50 THR CA C 13 58.226 0.3 . 1 . . . . . 50 THR CA . 51392 1 168 . 1 . 1 50 50 THR CB C 13 71.821 0.3 . 1 . . . . . 50 THR CB . 51392 1 169 . 1 . 1 50 50 THR N N 15 103.736 0.3 . 1 . . . . . 50 THR N . 51392 1 170 . 1 . 1 51 51 GLU H H 1 8.862 0.020 . 1 . . . . . 51 GLU H . 51392 1 171 . 1 . 1 51 51 GLU CA C 13 58.138 0.3 . 1 . . . . . 51 GLU CA . 51392 1 172 . 1 . 1 51 51 GLU N N 15 122.244 0.3 . 1 . . . . . 51 GLU N . 51392 1 173 . 1 . 1 52 52 GLU H H 1 8.684 0.020 . 1 . . . . . 52 GLU H . 51392 1 174 . 1 . 1 52 52 GLU CA C 13 60.152 0.3 . 1 . . . . . 52 GLU CA . 51392 1 175 . 1 . 1 52 52 GLU CB C 13 28.689 0.3 . 1 . . . . . 52 GLU CB . 51392 1 176 . 1 . 1 52 52 GLU N N 15 118.590 0.3 . 1 . . . . . 52 GLU N . 51392 1 177 . 1 . 1 53 53 ALA H H 1 7.578 0.020 . 1 . . . . . 53 ALA H . 51392 1 178 . 1 . 1 53 53 ALA CA C 13 54.596 0.3 . 1 . . . . . 53 ALA CA . 51392 1 179 . 1 . 1 53 53 ALA CB C 13 19.729 0.3 . 1 . . . . . 53 ALA CB . 51392 1 180 . 1 . 1 53 53 ALA N N 15 122.719 0.3 . 1 . . . . . 53 ALA N . 51392 1 181 . 1 . 1 54 54 ALA H H 1 6.696 0.020 . 1 . . . . . 54 ALA H . 51392 1 182 . 1 . 1 54 54 ALA CA C 13 54.734 0.3 . 1 . . . . . 54 ALA CA . 51392 1 183 . 1 . 1 54 54 ALA CB C 13 17.923 0.3 . 1 . . . . . 54 ALA CB . 51392 1 184 . 1 . 1 54 54 ALA N N 15 118.541 0.3 . 1 . . . . . 54 ALA N . 51392 1 185 . 1 . 1 55 55 ASN H H 1 8.639 0.020 . 1 . . . . . 55 ASN H . 51392 1 186 . 1 . 1 55 55 ASN CA C 13 55.776 0.3 . 1 . . . . . 55 ASN CA . 51392 1 187 . 1 . 1 55 55 ASN CB C 13 37.440 0.3 . 1 . . . . . 55 ASN CB . 51392 1 188 . 1 . 1 55 55 ASN N N 15 117.245 0.3 . 1 . . . . . 55 ASN N . 51392 1 189 . 1 . 1 56 56 THR H H 1 8.280 0.020 . 1 . . . . . 56 THR H . 51392 1 190 . 1 . 1 56 56 THR CA C 13 66.420 0.3 . 1 . . . . . 56 THR CA . 51392 1 191 . 1 . 1 56 56 THR CB C 13 68.417 0.3 . 1 . . . . . 56 THR CB . 51392 1 192 . 1 . 1 56 56 THR N N 15 118.500 0.3 . 1 . . . . . 56 THR N . 51392 1 193 . 1 . 1 57 57 SER H H 1 7.953 0.020 . 1 . . . . . 57 SER H . 51392 1 194 . 1 . 1 57 57 SER CA C 13 61.836 0.3 . 1 . . . . . 57 SER CA . 51392 1 195 . 1 . 1 57 57 SER CB C 13 62.722 0.3 . 1 . . . . . 57 SER CB . 51392 1 196 . 1 . 1 57 57 SER N N 15 118.942 0.3 . 1 . . . . . 57 SER N . 51392 1 197 . 1 . 1 58 58 ILE H H 1 7.474 0.020 . 1 . . . . . 58 ILE H . 51392 1 198 . 1 . 1 58 58 ILE CA C 13 65.431 0.3 . 1 . . . . . 58 ILE CA . 51392 1 199 . 1 . 1 58 58 ILE CB C 13 38.412 0.3 . 1 . . . . . 58 ILE CB . 51392 1 200 . 1 . 1 58 58 ILE N N 15 124.491 0.3 . 1 . . . . . 58 ILE N . 51392 1 201 . 1 . 1 59 59 ASP H H 1 7.352 0.020 . 1 . . . . . 59 ASP H . 51392 1 202 . 1 . 1 59 59 ASP CA C 13 57.121 0.3 . 1 . . . . . 59 ASP CA . 51392 1 203 . 1 . 1 59 59 ASP CB C 13 41.121 0.3 . 1 . . . . . 59 ASP CB . 51392 1 204 . 1 . 1 59 59 ASP N N 15 117.695 0.3 . 1 . . . . . 59 ASP N . 51392 1 205 . 1 . 1 60 60 LYS H H 1 7.810 0.020 . 1 . . . . . 60 LYS H . 51392 1 206 . 1 . 1 60 60 LYS CA C 13 56.601 0.3 . 1 . . . . . 60 LYS CA . 51392 1 207 . 1 . 1 60 60 LYS CB C 13 33.134 0.3 . 1 . . . . . 60 LYS CB . 51392 1 208 . 1 . 1 60 60 LYS N N 15 114.251 0.3 . 1 . . . . . 60 LYS N . 51392 1 209 . 1 . 1 61 61 VAL H H 1 8.376 0.020 . 1 . . . . . 61 VAL H . 51392 1 210 . 1 . 1 61 61 VAL CA C 13 62.649 0.3 . 1 . . . . . 61 VAL CA . 51392 1 211 . 1 . 1 61 61 VAL CB C 13 32.092 0.3 . 1 . . . . . 61 VAL CB . 51392 1 212 . 1 . 1 61 61 VAL N N 15 117.588 0.3 . 1 . . . . . 61 VAL N . 51392 1 213 . 1 . 1 62 62 ASN H H 1 7.569 0.020 . 1 . . . . . 62 ASN H . 51392 1 214 . 1 . 1 62 62 ASN CA C 13 56.828 0.3 . 1 . . . . . 62 ASN CA . 51392 1 215 . 1 . 1 62 62 ASN CB C 13 38.551 0.3 . 1 . . . . . 62 ASN CB . 51392 1 216 . 1 . 1 62 62 ASN N N 15 115.498 0.3 . 1 . . . . . 62 ASN N . 51392 1 217 . 1 . 1 63 63 GLY H H 1 8.784 0.020 . 1 . . . . . 63 GLY H . 51392 1 218 . 1 . 1 63 63 GLY CA C 13 45.675 0.3 . 1 . . . . . 63 GLY CA . 51392 1 219 . 1 . 1 63 63 GLY N N 15 116.396 0.3 . 1 . . . . . 63 GLY N . 51392 1 220 . 1 . 1 64 64 MET H H 1 8.197 0.020 . 1 . . . . . 64 MET H . 51392 1 221 . 1 . 1 64 64 MET CA C 13 55.885 0.3 . 1 . . . . . 64 MET CA . 51392 1 222 . 1 . 1 64 64 MET CB C 13 33.759 0.3 . 1 . . . . . 64 MET CB . 51392 1 223 . 1 . 1 64 64 MET N N 15 121.374 0.3 . 1 . . . . . 64 MET N . 51392 1 224 . 1 . 1 65 65 LEU H H 1 8.283 0.020 . 1 . . . . . 65 LEU H . 51392 1 225 . 1 . 1 65 65 LEU CA C 13 54.292 0.3 . 1 . . . . . 65 LEU CA . 51392 1 226 . 1 . 1 65 65 LEU CB C 13 42.163 0.3 . 1 . . . . . 65 LEU CB . 51392 1 227 . 1 . 1 65 65 LEU N N 15 122.138 0.3 . 1 . . . . . 65 LEU N . 51392 1 228 . 1 . 1 66 66 LEU H H 1 8.613 0.020 . 1 . . . . . 66 LEU H . 51392 1 229 . 1 . 1 66 66 LEU CA C 13 54.097 0.3 . 1 . . . . . 66 LEU CA . 51392 1 230 . 1 . 1 66 66 LEU CB C 13 43.344 0.3 . 1 . . . . . 66 LEU CB . 51392 1 231 . 1 . 1 66 66 LEU N N 15 126.101 0.3 . 1 . . . . . 66 LEU N . 51392 1 232 . 1 . 1 67 67 ASN H H 1 9.535 0.020 . 1 . . . . . 67 ASN H . 51392 1 233 . 1 . 1 67 67 ASN CA C 13 53.901 0.3 . 1 . . . . . 67 ASN CA . 51392 1 234 . 1 . 1 67 67 ASN CB C 13 37.162 0.3 . 1 . . . . . 67 ASN CB . 51392 1 235 . 1 . 1 67 67 ASN N N 15 126.611 0.3 . 1 . . . . . 67 ASN N . 51392 1 236 . 1 . 1 69 69 LYS H H 1 7.528 0.020 . 1 . . . . . 69 LYS H . 51392 1 237 . 1 . 1 69 69 LYS CA C 13 54.780 0.3 . 1 . . . . . 69 LYS CA . 51392 1 238 . 1 . 1 69 69 LYS CB C 13 35.495 0.3 . 1 . . . . . 69 LYS CB . 51392 1 239 . 1 . 1 69 69 LYS N N 15 121.014 0.3 . 1 . . . . . 69 LYS N . 51392 1 240 . 1 . 1 70 70 LYS H H 1 8.636 0.020 . 1 . . . . . 70 LYS H . 51392 1 241 . 1 . 1 70 70 LYS CA C 13 56.438 0.3 . 1 . . . . . 70 LYS CA . 51392 1 242 . 1 . 1 70 70 LYS CB C 13 32.648 0.3 . 1 . . . . . 70 LYS CB . 51392 1 243 . 1 . 1 70 70 LYS N N 15 125.454 0.3 . 1 . . . . . 70 LYS N . 51392 1 244 . 1 . 1 71 71 VAL H H 1 8.705 0.020 . 1 . . . . . 71 VAL H . 51392 1 245 . 1 . 1 71 71 VAL CA C 13 61.218 0.3 . 1 . . . . . 71 VAL CA . 51392 1 246 . 1 . 1 71 71 VAL CB C 13 33.273 0.3 . 1 . . . . . 71 VAL CB . 51392 1 247 . 1 . 1 71 71 VAL N N 15 125.142 0.3 . 1 . . . . . 71 VAL N . 51392 1 248 . 1 . 1 72 72 TYR H H 1 8.130 0.020 . 1 . . . . . 72 TYR H . 51392 1 249 . 1 . 1 72 72 TYR CA C 13 55.820 0.3 . 1 . . . . . 72 TYR CA . 51392 1 250 . 1 . 1 72 72 TYR CB C 13 40.010 0.3 . 1 . . . . . 72 TYR CB . 51392 1 251 . 1 . 1 72 72 TYR N N 15 124.322 0.3 . 1 . . . . . 72 TYR N . 51392 1 252 . 1 . 1 73 73 VAL H H 1 7.999 0.020 . 1 . . . . . 73 VAL H . 51392 1 253 . 1 . 1 73 73 VAL CA C 13 59.666 0.3 . 1 . . . . . 73 VAL CA . 51392 1 254 . 1 . 1 73 73 VAL CB C 13 34.523 0.3 . 1 . . . . . 73 VAL CB . 51392 1 255 . 1 . 1 73 73 VAL N N 15 126.475 0.3 . 1 . . . . . 73 VAL N . 51392 1 256 . 1 . 1 74 74 GLY H H 1 8.287 0.020 . 1 . . . . . 74 GLY H . 51392 1 257 . 1 . 1 74 74 GLY CA C 13 44.993 0.3 . 1 . . . . . 74 GLY CA . 51392 1 258 . 1 . 1 74 74 GLY N N 15 111.036 0.3 . 1 . . . . . 74 GLY N . 51392 1 259 . 1 . 1 75 75 LYS H H 1 8.606 0.020 . 1 . . . . . 75 LYS H . 51392 1 260 . 1 . 1 75 75 LYS CA C 13 55.593 0.3 . 1 . . . . . 75 LYS CA . 51392 1 261 . 1 . 1 75 75 LYS CB C 13 33.203 0.3 . 1 . . . . . 75 LYS CB . 51392 1 262 . 1 . 1 75 75 LYS N N 15 118.752 0.3 . 1 . . . . . 75 LYS N . 51392 1 263 . 1 . 1 76 76 PHE H H 1 8.271 0.020 . 1 . . . . . 76 PHE H . 51392 1 264 . 1 . 1 76 76 PHE CA C 13 54.387 0.3 . 1 . . . . . 76 PHE CA . 51392 1 265 . 1 . 1 76 76 PHE CB C 13 41.260 0.3 . 1 . . . . . 76 PHE CB . 51392 1 266 . 1 . 1 76 76 PHE N N 15 121.487 0.3 . 1 . . . . . 76 PHE N . 51392 1 267 . 1 . 1 79 79 ARG H H 1 8.365 0.020 . 1 . . . . . 79 ARG H . 51392 1 268 . 1 . 1 79 79 ARG CA C 13 55.915 0.3 . 1 . . . . . 79 ARG CA . 51392 1 269 . 1 . 1 79 79 ARG CB C 13 31.066 0.3 . 1 . . . . . 79 ARG CB . 51392 1 270 . 1 . 1 79 79 ARG N N 15 121.594 0.3 . 1 . . . . . 79 ARG N . 51392 1 271 . 1 . 1 80 80 LYS H H 1 8.384 0.020 . 1 . . . . . 80 LYS H . 51392 1 272 . 1 . 1 80 80 LYS CA C 13 56.193 0.3 . 1 . . . . . 80 LYS CA . 51392 1 273 . 1 . 1 80 80 LYS CB C 13 33.064 0.3 . 1 . . . . . 80 LYS CB . 51392 1 274 . 1 . 1 80 80 LYS N N 15 123.026 0.3 . 1 . . . . . 80 LYS N . 51392 1 275 . 1 . 1 81 81 GLU H H 1 8.489 0.020 . 1 . . . . . 81 GLU H . 51392 1 276 . 1 . 1 81 81 GLU CA C 13 56.633 0.3 . 1 . . . . . 81 GLU CA . 51392 1 277 . 1 . 1 81 81 GLU CB C 13 30.356 0.3 . 1 . . . . . 81 GLU CB . 51392 1 278 . 1 . 1 81 81 GLU N N 15 122.947 0.3 . 1 . . . . . 81 GLU N . 51392 1 279 . 1 . 1 82 82 ARG H H 1 7.880 0.020 . 1 . . . . . 82 ARG H . 51392 1 280 . 1 . 1 82 82 ARG CA C 13 57.513 0.3 . 1 . . . . . 82 ARG CA . 51392 1 281 . 1 . 1 82 82 ARG CB C 13 31.328 0.3 . 1 . . . . . 82 ARG CB . 51392 1 282 . 1 . 1 82 82 ARG N N 15 125.938 0.3 . 1 . . . . . 82 ARG N . 51392 1 stop_ save_