data_51132 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51132 _Entry.Title ; 1H, 15N and 13C sequence-specific backbone assignment of RRP1B PP1 binding domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-10-11 _Entry.Accession_date 2021-10-11 _Entry.Last_release_date 2021-10-11 _Entry.Original_release_date 2021-10-11 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Rakhi Bajaj . . . . 51132 2 Ganesan 'Senthil Kumar' . . . . 51132 3 Rebecca Page . . . . 51132 4 Wolfgang Peti . . . . 51132 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51132 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 280 51132 '15N chemical shifts' 83 51132 '1H chemical shifts' 83 51132 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 . . 2022-12-20 . original BMRB . 51132 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51132 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36450254 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The ribosomal RNA processing 1B:protein phosphatase 1 holoenzyme reveals non-canonical PP1 interaction motifs ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Cell Rep.' _Citation.Journal_name_full 'Cell reports' _Citation.Journal_volume 41 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2211-1247 _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 111726 _Citation.Page_last 111726 _Citation.Year 2022 _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 Gautam Srivastava G. . . . 51132 1 2 Rakhi Bajaj R. . . . 51132 1 3 'Ganesan Senthil' Kumar G. S. . . 51132 1 4 Antoine Gaudreau-Lapierre A. . . . 51132 1 5 Hannah Nicolas H. . . . 51132 1 6 Delphine Chamousset D. . . . 51132 1 7 Dale Kreitler D. . . . 51132 1 8 Wolfgang Peti W. . . . 51132 1 9 Laura Trinkle-Mulcahy L. . . . 51132 1 10 Rebecca Page R. . . . 51132 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'RRP1B, PP1' 51132 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51132 _Assembly.ID 1 _Assembly.Name RRP1B _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 RRP1B 1 $entity_1 . . yes native no no . . . 51132 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51132 _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 ; GHMRRAKSSTATHPPGPAVQ LNKTPSSSKKVTFGLNRNMT AEFKKTDKSILVSPTGPSRV AFDPEQKPLHGVLKTPTSSP ASSPLVAKKPLTTTPRRRPR AMDFF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'GHM cloning artefact' _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 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 51132 1 2 . HIS . 51132 1 3 . MET . 51132 1 4 . ARG . 51132 1 5 . ARG . 51132 1 6 . ALA . 51132 1 7 . LYS . 51132 1 8 . SER . 51132 1 9 . SER . 51132 1 10 . THR . 51132 1 11 . ALA . 51132 1 12 . THR . 51132 1 13 . HIS . 51132 1 14 . PRO . 51132 1 15 . PRO . 51132 1 16 . GLY . 51132 1 17 . PRO . 51132 1 18 . ALA . 51132 1 19 . VAL . 51132 1 20 . GLN . 51132 1 21 . LEU . 51132 1 22 . ASN . 51132 1 23 . LYS . 51132 1 24 . THR . 51132 1 25 . PRO . 51132 1 26 . SER . 51132 1 27 . SER . 51132 1 28 . SER . 51132 1 29 . LYS . 51132 1 30 . LYS . 51132 1 31 . VAL . 51132 1 32 . THR . 51132 1 33 . PHE . 51132 1 34 . GLY . 51132 1 35 . LEU . 51132 1 36 . ASN . 51132 1 37 . ARG . 51132 1 38 . ASN . 51132 1 39 . MET . 51132 1 40 . THR . 51132 1 41 . ALA . 51132 1 42 . GLU . 51132 1 43 . PHE . 51132 1 44 . LYS . 51132 1 45 . LYS . 51132 1 46 . THR . 51132 1 47 . ASP . 51132 1 48 . LYS . 51132 1 49 . SER . 51132 1 50 . ILE . 51132 1 51 . LEU . 51132 1 52 . VAL . 51132 1 53 . SER . 51132 1 54 . PRO . 51132 1 55 . THR . 51132 1 56 . GLY . 51132 1 57 . PRO . 51132 1 58 . SER . 51132 1 59 . ARG . 51132 1 60 . VAL . 51132 1 61 . ALA . 51132 1 62 . PHE . 51132 1 63 . ASP . 51132 1 64 . PRO . 51132 1 65 . GLU . 51132 1 66 . GLN . 51132 1 67 . LYS . 51132 1 68 . PRO . 51132 1 69 . LEU . 51132 1 70 . HIS . 51132 1 71 . GLY . 51132 1 72 . VAL . 51132 1 73 . LEU . 51132 1 74 . LYS . 51132 1 75 . THR . 51132 1 76 . PRO . 51132 1 77 . THR . 51132 1 78 . SER . 51132 1 79 . SER . 51132 1 80 . PRO . 51132 1 81 . ALA . 51132 1 82 . SER . 51132 1 83 . SER . 51132 1 84 . PRO . 51132 1 85 . LEU . 51132 1 86 . VAL . 51132 1 87 . ALA . 51132 1 88 . LYS . 51132 1 89 . LYS . 51132 1 90 . PRO . 51132 1 91 . LEU . 51132 1 92 . THR . 51132 1 93 . THR . 51132 1 94 . THR . 51132 1 95 . PRO . 51132 1 96 . ARG . 51132 1 97 . ARG . 51132 1 98 . ARG . 51132 1 99 . PRO . 51132 1 100 . ARG . 51132 1 101 . ALA . 51132 1 102 . MET . 51132 1 103 . ASP . 51132 1 104 . PHE . 51132 1 105 . PHE . 51132 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 51132 1 . HIS 2 2 51132 1 . MET 3 3 51132 1 . ARG 4 4 51132 1 . ARG 5 5 51132 1 . ALA 6 6 51132 1 . LYS 7 7 51132 1 . SER 8 8 51132 1 . SER 9 9 51132 1 . THR 10 10 51132 1 . ALA 11 11 51132 1 . THR 12 12 51132 1 . HIS 13 13 51132 1 . PRO 14 14 51132 1 . PRO 15 15 51132 1 . GLY 16 16 51132 1 . PRO 17 17 51132 1 . ALA 18 18 51132 1 . VAL 19 19 51132 1 . GLN 20 20 51132 1 . LEU 21 21 51132 1 . ASN 22 22 51132 1 . LYS 23 23 51132 1 . THR 24 24 51132 1 . PRO 25 25 51132 1 . SER 26 26 51132 1 . SER 27 27 51132 1 . SER 28 28 51132 1 . LYS 29 29 51132 1 . LYS 30 30 51132 1 . VAL 31 31 51132 1 . THR 32 32 51132 1 . PHE 33 33 51132 1 . GLY 34 34 51132 1 . LEU 35 35 51132 1 . ASN 36 36 51132 1 . ARG 37 37 51132 1 . ASN 38 38 51132 1 . MET 39 39 51132 1 . THR 40 40 51132 1 . ALA 41 41 51132 1 . GLU 42 42 51132 1 . PHE 43 43 51132 1 . LYS 44 44 51132 1 . LYS 45 45 51132 1 . THR 46 46 51132 1 . ASP 47 47 51132 1 . LYS 48 48 51132 1 . SER 49 49 51132 1 . ILE 50 50 51132 1 . LEU 51 51 51132 1 . VAL 52 52 51132 1 . SER 53 53 51132 1 . PRO 54 54 51132 1 . THR 55 55 51132 1 . GLY 56 56 51132 1 . PRO 57 57 51132 1 . SER 58 58 51132 1 . ARG 59 59 51132 1 . VAL 60 60 51132 1 . ALA 61 61 51132 1 . PHE 62 62 51132 1 . ASP 63 63 51132 1 . PRO 64 64 51132 1 . GLU 65 65 51132 1 . GLN 66 66 51132 1 . LYS 67 67 51132 1 . PRO 68 68 51132 1 . LEU 69 69 51132 1 . HIS 70 70 51132 1 . GLY 71 71 51132 1 . VAL 72 72 51132 1 . LEU 73 73 51132 1 . LYS 74 74 51132 1 . THR 75 75 51132 1 . PRO 76 76 51132 1 . THR 77 77 51132 1 . SER 78 78 51132 1 . SER 79 79 51132 1 . PRO 80 80 51132 1 . ALA 81 81 51132 1 . SER 82 82 51132 1 . SER 83 83 51132 1 . PRO 84 84 51132 1 . LEU 85 85 51132 1 . VAL 86 86 51132 1 . ALA 87 87 51132 1 . LYS 88 88 51132 1 . LYS 89 89 51132 1 . PRO 90 90 51132 1 . LEU 91 91 51132 1 . THR 92 92 51132 1 . THR 93 93 51132 1 . THR 94 94 51132 1 . PRO 95 95 51132 1 . ARG 96 96 51132 1 . ARG 97 97 51132 1 . ARG 98 98 51132 1 . PRO 99 99 51132 1 . ARG 100 100 51132 1 . ALA 101 101 51132 1 . MET 102 102 51132 1 . ASP 103 103 51132 1 . PHE 104 104 51132 1 . PHE 105 105 51132 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 51132 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51132 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 51132 _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 . . . plasmid . . RP1B . . . 51132 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51132 _Sample.ID 1 _Sample.Name RRP1B _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RRP1B '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.6 0.5 0.7 mM . . . . 51132 1 2 RRP1B '[U-99% 15N]' . . 1 $entity_1 . . 0.6 0.5 0.7 mM . . . . 51132 1 3 Bis-Tris 'natural abundance' . . . . . . 20 . . mM . . . . 51132 1 4 NaCl 'natural abundance' . . . . . . 0.15 . . M . . . . 51132 1 5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 51132 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 51132 _Sample_condition_list.ID 1 _Sample_condition_list.Name RRP1B _Sample_condition_list.Details '20 mM Bis-Tris pH 6.8, 0.15 M NaCl, 0.5 mM TCEP, 10% D2O' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 51132 1 pH 6.8 . pH 51132 1 pressure 1 . atm 51132 1 temperature 298 . K 51132 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51132 _Software.ID 1 _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' . 51132 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51132 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51132 2 processing . 51132 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51132 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III HD' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51132 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker Avance II' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 51132 _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 . . . . . . . . . . . . . . . . . 51132 1 2 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51132 1 3 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51132 1 4 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51132 1 5 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51132 1 6 '3D (H)CC(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51132 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 51132 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name RRP1B _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 51132 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 na direct 1 . . . . . 51132 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51132 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 51132 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name RRP1B _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51132 1 2 '3D CBCA(CO)NH' . . . 51132 1 3 '3D HNCA' . . . 51132 1 4 '3D HN(CO)CA' . . . 51132 1 5 '3D HNCACB' . . . 51132 1 6 '3D (H)CC(CO)NH' . . . 51132 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 . . 51132 1 2 $software_2 . . 51132 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 4 4 ARG H H 1 8.399 0.020 . 1 . . . . . 4 ARG H . 51132 1 2 . 1 . 1 4 4 ARG CA C 13 55.929 0.3 . 1 . . . . . 4 ARG CA . 51132 1 3 . 1 . 1 4 4 ARG CB C 13 30.420 0.3 . 1 . . . . . 4 ARG CB . 51132 1 4 . 1 . 1 4 4 ARG N N 15 123.631 0.3 . 1 . . . . . 4 ARG N . 51132 1 5 . 1 . 1 6 6 ALA H H 1 8.271 0.020 . 1 . . . . . 6 ALA H . 51132 1 6 . 1 . 1 6 6 ALA CA C 13 51.995 0.3 . 1 . . . . . 6 ALA CA . 51132 1 7 . 1 . 1 6 6 ALA CB C 13 19.104 0.3 . 1 . . . . . 6 ALA CB . 51132 1 8 . 1 . 1 6 6 ALA N N 15 126.112 0.3 . 1 . . . . . 6 ALA N . 51132 1 9 . 1 . 1 7 7 LYS H H 1 8.154 0.020 . 1 . . . . . 7 LYS H . 51132 1 10 . 1 . 1 7 7 LYS CA C 13 55.810 0.3 . 1 . . . . . 7 LYS CA . 51132 1 11 . 1 . 1 7 7 LYS CB C 13 32.726 0.3 . 1 . . . . . 7 LYS CB . 51132 1 12 . 1 . 1 7 7 LYS CG C 13 24.334 0.3 . 1 . . . . . 7 LYS CG . 51132 1 13 . 1 . 1 7 7 LYS CD C 13 28.713 0.3 . 1 . . . . . 7 LYS CD . 51132 1 14 . 1 . 1 7 7 LYS CE C 13 42.206 0.3 . 1 . . . . . 7 LYS CE . 51132 1 15 . 1 . 1 7 7 LYS N N 15 121.407 0.3 . 1 . . . . . 7 LYS N . 51132 1 16 . 1 . 1 8 8 SER H H 1 8.126 0.020 . 1 . . . . . 8 SER H . 51132 1 17 . 1 . 1 8 8 SER CA C 13 57.946 0.3 . 1 . . . . . 8 SER CA . 51132 1 18 . 1 . 1 8 8 SER CB C 13 63.167 0.3 . 1 . . . . . 8 SER CB . 51132 1 19 . 1 . 1 8 8 SER N N 15 118.658 0.3 . 1 . . . . . 8 SER N . 51132 1 20 . 1 . 1 9 9 SER H H 1 8.257 0.020 . 1 . . . . . 9 SER H . 51132 1 21 . 1 . 1 9 9 SER CA C 13 57.852 0.3 . 1 . . . . . 9 SER CA . 51132 1 22 . 1 . 1 9 9 SER CB C 13 63.033 0.3 . 1 . . . . . 9 SER CB . 51132 1 23 . 1 . 1 9 9 SER N N 15 118.931 0.3 . 1 . . . . . 9 SER N . 51132 1 24 . 1 . 1 10 10 THR H H 1 8.045 0.020 . 1 . . . . . 10 THR H . 51132 1 25 . 1 . 1 10 10 THR CA C 13 61.589 0.3 . 1 . . . . . 10 THR CA . 51132 1 26 . 1 . 1 10 10 THR CB C 13 69.534 0.3 . 1 . . . . . 10 THR CB . 51132 1 27 . 1 . 1 10 10 THR CG2 C 13 21.494 0.3 . 1 . . . . . 10 THR CG2 . 51132 1 28 . 1 . 1 10 10 THR N N 15 115.832 0.3 . 1 . . . . . 10 THR N . 51132 1 29 . 1 . 1 11 11 ALA H H 1 8.095 0.020 . 1 . . . . . 11 ALA H . 51132 1 30 . 1 . 1 11 11 ALA CA C 13 52.295 0.3 . 1 . . . . . 11 ALA CA . 51132 1 31 . 1 . 1 11 11 ALA CB C 13 18.946 0.3 . 1 . . . . . 11 ALA CB . 51132 1 32 . 1 . 1 11 11 ALA N N 15 126.483 0.3 . 1 . . . . . 11 ALA N . 51132 1 33 . 1 . 1 12 12 THR H H 1 7.962 0.020 . 1 . . . . . 12 THR H . 51132 1 34 . 1 . 1 12 12 THR CA C 13 61.456 0.3 . 1 . . . . . 12 THR CA . 51132 1 35 . 1 . 1 12 12 THR CB C 13 69.541 0.3 . 1 . . . . . 12 THR CB . 51132 1 36 . 1 . 1 12 12 THR CG2 C 13 21.654 0.3 . 1 . . . . . 12 THR CG2 . 51132 1 37 . 1 . 1 12 12 THR N N 15 113.566 0.3 . 1 . . . . . 12 THR N . 51132 1 38 . 1 . 1 13 13 HIS H H 1 8.106 0.020 . 1 . . . . . 13 HIS H . 51132 1 39 . 1 . 1 13 13 HIS CA C 13 56.476 0.3 . 1 . . . . . 13 HIS CA . 51132 1 40 . 1 . 1 13 13 HIS CB C 13 29.916 0.3 . 1 . . . . . 13 HIS CB . 51132 1 41 . 1 . 1 13 13 HIS N N 15 119.546 0.3 . 1 . . . . . 13 HIS N . 51132 1 42 . 1 . 1 15 15 PRO CA C 13 62.776 0.3 . 1 . . . . . 15 PRO CA . 51132 1 43 . 1 . 1 15 15 PRO CB C 13 31.865 0.3 . 1 . . . . . 15 PRO CB . 51132 1 44 . 1 . 1 15 15 PRO CG C 13 27.161 0.3 . 1 . . . . . 15 PRO CG . 51132 1 45 . 1 . 1 15 15 PRO CD C 13 50.579 0.3 . 1 . . . . . 15 PRO CD . 51132 1 46 . 1 . 1 16 16 GLY H H 1 8.132 0.020 . 1 . . . . . 16 GLY H . 51132 1 47 . 1 . 1 16 16 GLY CA C 13 44.020 0.3 . 1 . . . . . 16 GLY CA . 51132 1 48 . 1 . 1 16 16 GLY N N 15 108.988 0.3 . 1 . . . . . 16 GLY N . 51132 1 49 . 1 . 1 17 17 PRO CA C 13 62.939 0.3 . 1 . . . . . 17 PRO CA . 51132 1 50 . 1 . 1 17 17 PRO CB C 13 31.785 0.3 . 1 . . . . . 17 PRO CB . 51132 1 51 . 1 . 1 17 17 PRO CG C 13 27.092 0.3 . 1 . . . . . 17 PRO CG . 51132 1 52 . 1 . 1 17 17 PRO CD C 13 50.083 0.3 . 1 . . . . . 17 PRO CD . 51132 1 53 . 1 . 1 18 18 ALA H H 1 8.262 0.020 . 1 . . . . . 18 ALA H . 51132 1 54 . 1 . 1 18 18 ALA CA C 13 52.175 0.3 . 1 . . . . . 18 ALA CA . 51132 1 55 . 1 . 1 18 18 ALA CB C 13 18.747 0.3 . 1 . . . . . 18 ALA CB . 51132 1 56 . 1 . 1 18 18 ALA N N 15 124.115 0.3 . 1 . . . . . 18 ALA N . 51132 1 57 . 1 . 1 19 19 VAL H H 1 7.951 0.020 . 1 . . . . . 19 VAL H . 51132 1 58 . 1 . 1 19 19 VAL CA C 13 62.116 0.3 . 1 . . . . . 19 VAL CA . 51132 1 59 . 1 . 1 19 19 VAL CB C 13 32.580 0.3 . 1 . . . . . 19 VAL CB . 51132 1 60 . 1 . 1 19 19 VAL CG1 C 13 20.908 0.3 . 1 . . . . . 19 VAL CG1 . 51132 1 61 . 1 . 1 19 19 VAL CG2 C 13 20.469 0.3 . 1 . . . . . 19 VAL CG2 . 51132 1 62 . 1 . 1 19 19 VAL N N 15 119.986 0.3 . 1 . . . . . 19 VAL N . 51132 1 63 . 1 . 1 20 20 GLN H H 1 8.328 0.020 . 1 . . . . . 20 GLN H . 51132 1 64 . 1 . 1 20 20 GLN CA C 13 55.236 0.3 . 1 . . . . . 20 GLN CA . 51132 1 65 . 1 . 1 20 20 GLN CB C 13 29.191 0.3 . 1 . . . . . 20 GLN CB . 51132 1 66 . 1 . 1 20 20 GLN CG C 13 33.476 0.3 . 1 . . . . . 20 GLN CG . 51132 1 67 . 1 . 1 20 20 GLN N N 15 124.640 0.3 . 1 . . . . . 20 GLN N . 51132 1 68 . 1 . 1 21 21 LEU H H 1 8.230 0.020 . 1 . . . . . 21 LEU H . 51132 1 69 . 1 . 1 21 21 LEU CA C 13 55.040 0.3 . 1 . . . . . 21 LEU CA . 51132 1 70 . 1 . 1 21 21 LEU CB C 13 42.014 0.3 . 1 . . . . . 21 LEU CB . 51132 1 71 . 1 . 1 21 21 LEU CG C 13 26.619 0.3 . 1 . . . . . 21 LEU CG . 51132 1 72 . 1 . 1 21 21 LEU CD1 C 13 24.413 0.3 . 1 . . . . . 21 LEU CD1 . 51132 1 73 . 1 . 1 21 21 LEU N N 15 124.403 0.3 . 1 . . . . . 21 LEU N . 51132 1 74 . 1 . 1 22 22 ASN H H 1 8.333 0.020 . 1 . . . . . 22 ASN H . 51132 1 75 . 1 . 1 22 22 ASN CA C 13 52.985 0.3 . 1 . . . . . 22 ASN CA . 51132 1 76 . 1 . 1 22 22 ASN CB C 13 38.245 0.3 . 1 . . . . . 22 ASN CB . 51132 1 77 . 1 . 1 22 22 ASN N N 15 119.172 0.3 . 1 . . . . . 22 ASN N . 51132 1 78 . 1 . 1 23 23 LYS H H 1 8.155 0.020 . 1 . . . . . 23 LYS H . 51132 1 79 . 1 . 1 23 23 LYS CA C 13 55.511 0.3 . 1 . . . . . 23 LYS CA . 51132 1 80 . 1 . 1 23 23 LYS CB C 13 32.239 0.3 . 1 . . . . . 23 LYS CB . 51132 1 81 . 1 . 1 23 23 LYS N N 15 120.799 0.3 . 1 . . . . . 23 LYS N . 51132 1 82 . 1 . 1 24 24 THR H H 1 7.937 0.020 . 1 . . . . . 24 THR H . 51132 1 83 . 1 . 1 24 24 THR CA C 13 61.951 0.3 . 1 . . . . . 24 THR CA . 51132 1 84 . 1 . 1 24 24 THR CB C 13 69.541 0.3 . 1 . . . . . 24 THR CB . 51132 1 85 . 1 . 1 24 24 THR N N 15 114.842 0.3 . 1 . . . . . 24 THR N . 51132 1 86 . 1 . 1 25 25 PRO CA C 13 62.834 0.3 . 1 . . . . . 25 PRO CA . 51132 1 87 . 1 . 1 25 25 PRO CB C 13 31.949 0.3 . 1 . . . . . 25 PRO CB . 51132 1 88 . 1 . 1 25 25 PRO CG C 13 27.014 0.3 . 1 . . . . . 25 PRO CG . 51132 1 89 . 1 . 1 25 25 PRO CD C 13 49.791 0.3 . 1 . . . . . 25 PRO CD . 51132 1 90 . 1 . 1 26 26 SER H H 1 8.295 0.020 . 1 . . . . . 26 SER H . 51132 1 91 . 1 . 1 26 26 SER CA C 13 58.172 0.3 . 1 . . . . . 26 SER CA . 51132 1 92 . 1 . 1 26 26 SER CB C 13 63.470 0.3 . 1 . . . . . 26 SER CB . 51132 1 93 . 1 . 1 26 26 SER N N 15 116.174 0.3 . 1 . . . . . 26 SER N . 51132 1 94 . 1 . 1 27 27 SER H H 1 8.336 0.020 . 1 . . . . . 27 SER H . 51132 1 95 . 1 . 1 27 27 SER CA C 13 58.152 0.3 . 1 . . . . . 27 SER CA . 51132 1 96 . 1 . 1 27 27 SER CB C 13 63.589 0.3 . 1 . . . . . 27 SER CB . 51132 1 97 . 1 . 1 27 27 SER N N 15 118.153 0.3 . 1 . . . . . 27 SER N . 51132 1 98 . 1 . 1 28 28 SER H H 1 8.226 0.020 . 1 . . . . . 28 SER H . 51132 1 99 . 1 . 1 28 28 SER CA C 13 58.178 0.3 . 1 . . . . . 28 SER CA . 51132 1 100 . 1 . 1 28 28 SER CB C 13 63.549 0.3 . 1 . . . . . 28 SER CB . 51132 1 101 . 1 . 1 28 28 SER N N 15 117.748 0.3 . 1 . . . . . 28 SER N . 51132 1 102 . 1 . 1 29 29 LYS H H 1 8.097 0.020 . 1 . . . . . 29 LYS H . 51132 1 103 . 1 . 1 29 29 LYS CA C 13 55.992 0.3 . 1 . . . . . 29 LYS CA . 51132 1 104 . 1 . 1 29 29 LYS CB C 13 32.694 0.3 . 1 . . . . . 29 LYS CB . 51132 1 105 . 1 . 1 29 29 LYS CG C 13 24.413 0.3 . 1 . . . . . 29 LYS CG . 51132 1 106 . 1 . 1 29 29 LYS CD C 13 28.984 0.3 . 1 . . . . . 29 LYS CD . 51132 1 107 . 1 . 1 29 29 LYS CE C 13 42.038 0.3 . 1 . . . . . 29 LYS CE . 51132 1 108 . 1 . 1 29 29 LYS N N 15 123.322 0.3 . 1 . . . . . 29 LYS N . 51132 1 109 . 1 . 1 30 30 LYS H H 1 8.152 0.020 . 1 . . . . . 30 LYS H . 51132 1 110 . 1 . 1 30 30 LYS CA C 13 56.205 0.3 . 1 . . . . . 30 LYS CA . 51132 1 111 . 1 . 1 30 30 LYS CB C 13 32.616 0.3 . 1 . . . . . 30 LYS CB . 51132 1 112 . 1 . 1 30 30 LYS CG C 13 24.334 0.3 . 1 . . . . . 30 LYS CG . 51132 1 113 . 1 . 1 30 30 LYS CD C 13 28.905 0.3 . 1 . . . . . 30 LYS CD . 51132 1 114 . 1 . 1 30 30 LYS CE C 13 41.870 0.3 . 1 . . . . . 30 LYS CE . 51132 1 115 . 1 . 1 30 30 LYS N N 15 123.209 0.3 . 1 . . . . . 30 LYS N . 51132 1 116 . 1 . 1 31 31 VAL H H 1 8.101 0.020 . 1 . . . . . 31 VAL H . 51132 1 117 . 1 . 1 31 31 VAL CA C 13 61.954 0.3 . 1 . . . . . 31 VAL CA . 51132 1 118 . 1 . 1 31 31 VAL CB C 13 32.543 0.3 . 1 . . . . . 31 VAL CB . 51132 1 119 . 1 . 1 31 31 VAL CG1 C 13 20.897 0.3 . 1 . . . . . 31 VAL CG1 . 51132 1 120 . 1 . 1 31 31 VAL CG2 C 13 20.491 0.3 . 1 . . . . . 31 VAL CG2 . 51132 1 121 . 1 . 1 31 31 VAL N N 15 122.611 0.3 . 1 . . . . . 31 VAL N . 51132 1 122 . 1 . 1 32 32 THR H H 1 8.000 0.020 . 1 . . . . . 32 THR H . 51132 1 123 . 1 . 1 32 32 THR CA C 13 61.126 0.3 . 1 . . . . . 32 THR CA . 51132 1 124 . 1 . 1 32 32 THR CB C 13 69.651 0.3 . 1 . . . . . 32 THR CB . 51132 1 125 . 1 . 1 32 32 THR CG2 C 13 21.497 0.3 . 1 . . . . . 32 THR CG2 . 51132 1 126 . 1 . 1 32 32 THR N N 15 118.163 0.3 . 1 . . . . . 32 THR N . 51132 1 127 . 1 . 1 33 33 PHE H H 1 8.148 0.020 . 1 . . . . . 33 PHE H . 51132 1 128 . 1 . 1 33 33 PHE CA C 13 57.758 0.3 . 1 . . . . . 33 PHE CA . 51132 1 129 . 1 . 1 33 33 PHE CB C 13 39.591 0.3 . 1 . . . . . 33 PHE CB . 51132 1 130 . 1 . 1 33 33 PHE N N 15 122.869 0.3 . 1 . . . . . 33 PHE N . 51132 1 131 . 1 . 1 34 34 GLY H H 1 8.183 0.020 . 1 . . . . . 34 GLY H . 51132 1 132 . 1 . 1 34 34 GLY CA C 13 44.955 0.3 . 1 . . . . . 34 GLY CA . 51132 1 133 . 1 . 1 34 34 GLY N N 15 110.622 0.3 . 1 . . . . . 34 GLY N . 51132 1 134 . 1 . 1 35 35 LEU H H 1 7.931 0.020 . 1 . . . . . 35 LEU H . 51132 1 135 . 1 . 1 35 35 LEU CA C 13 55.056 0.3 . 1 . . . . . 35 LEU CA . 51132 1 136 . 1 . 1 35 35 LEU CB C 13 42.018 0.3 . 1 . . . . . 35 LEU CB . 51132 1 137 . 1 . 1 35 35 LEU N N 15 121.324 0.3 . 1 . . . . . 35 LEU N . 51132 1 138 . 1 . 1 37 37 ARG H H 1 8.129 0.020 . 1 . . . . . 37 ARG H . 51132 1 139 . 1 . 1 37 37 ARG CA C 13 56.147 0.3 . 1 . . . . . 37 ARG CA . 51132 1 140 . 1 . 1 37 37 ARG CB C 13 30.095 0.3 . 1 . . . . . 37 ARG CB . 51132 1 141 . 1 . 1 37 37 ARG CG C 13 26.698 0.3 . 1 . . . . . 37 ARG CG . 51132 1 142 . 1 . 1 37 37 ARG CD C 13 42.876 0.3 . 1 . . . . . 37 ARG CD . 51132 1 143 . 1 . 1 37 37 ARG N N 15 121.293 0.3 . 1 . . . . . 37 ARG N . 51132 1 144 . 1 . 1 38 38 ASN H H 1 8.312 0.020 . 1 . . . . . 38 ASN H . 51132 1 145 . 1 . 1 38 38 ASN CA C 13 53.027 0.3 . 1 . . . . . 38 ASN CA . 51132 1 146 . 1 . 1 38 38 ASN CB C 13 38.274 0.3 . 1 . . . . . 38 ASN CB . 51132 1 147 . 1 . 1 38 38 ASN N N 15 119.030 0.3 . 1 . . . . . 38 ASN N . 51132 1 148 . 1 . 1 39 39 MET H H 1 8.161 0.020 . 1 . . . . . 39 MET H . 51132 1 149 . 1 . 1 39 39 MET CA C 13 55.965 0.3 . 1 . . . . . 39 MET CA . 51132 1 150 . 1 . 1 39 39 MET CB C 13 32.694 0.3 . 1 . . . . . 39 MET CB . 51132 1 151 . 1 . 1 39 39 MET CG C 13 32.119 0.3 . 1 . . . . . 39 MET CG . 51132 1 152 . 1 . 1 39 39 MET N N 15 121.860 0.3 . 1 . . . . . 39 MET N . 51132 1 153 . 1 . 1 40 40 THR H H 1 8.004 0.020 . 1 . . . . . 40 THR H . 51132 1 154 . 1 . 1 40 40 THR CA C 13 61.401 0.3 . 1 . . . . . 40 THR CA . 51132 1 155 . 1 . 1 40 40 THR CB C 13 69.596 0.3 . 1 . . . . . 40 THR CB . 51132 1 156 . 1 . 1 40 40 THR CG2 C 13 21.560 0.3 . 1 . . . . . 40 THR CG2 . 51132 1 157 . 1 . 1 40 40 THR N N 15 115.088 0.3 . 1 . . . . . 40 THR N . 51132 1 158 . 1 . 1 41 41 ALA H H 1 8.145 0.020 . 1 . . . . . 41 ALA H . 51132 1 159 . 1 . 1 41 41 ALA CA C 13 52.589 0.3 . 1 . . . . . 41 ALA CA . 51132 1 160 . 1 . 1 41 41 ALA CB C 13 18.946 0.3 . 1 . . . . . 41 ALA CB . 51132 1 161 . 1 . 1 41 41 ALA N N 15 125.896 0.3 . 1 . . . . . 41 ALA N . 51132 1 162 . 1 . 1 42 42 GLU H H 1 8.101 0.020 . 1 . . . . . 42 GLU H . 51132 1 163 . 1 . 1 42 42 GLU CA C 13 56.505 0.3 . 1 . . . . . 42 GLU CA . 51132 1 164 . 1 . 1 42 42 GLU CB C 13 29.931 0.3 . 1 . . . . . 42 GLU CB . 51132 1 165 . 1 . 1 42 42 GLU CG C 13 35.998 0.3 . 1 . . . . . 42 GLU CG . 51132 1 166 . 1 . 1 42 42 GLU N N 15 119.605 0.3 . 1 . . . . . 42 GLU N . 51132 1 167 . 1 . 1 43 43 PHE H H 1 8.015 0.020 . 1 . . . . . 43 PHE H . 51132 1 168 . 1 . 1 43 43 PHE CA C 13 57.633 0.3 . 1 . . . . . 43 PHE CA . 51132 1 169 . 1 . 1 43 43 PHE CB C 13 39.137 0.3 . 1 . . . . . 43 PHE CB . 51132 1 170 . 1 . 1 43 43 PHE N N 15 121.293 0.3 . 1 . . . . . 43 PHE N . 51132 1 171 . 1 . 1 44 44 LYS H H 1 7.950 0.020 . 1 . . . . . 44 LYS H . 51132 1 172 . 1 . 1 44 44 LYS CA C 13 55.782 0.3 . 1 . . . . . 44 LYS CA . 51132 1 173 . 1 . 1 44 44 LYS CB C 13 33.020 0.3 . 1 . . . . . 44 LYS CB . 51132 1 174 . 1 . 1 44 44 LYS N N 15 123.219 0.3 . 1 . . . . . 44 LYS N . 51132 1 175 . 1 . 1 48 48 LYS H H 1 8.206 0.020 . 1 . . . . . 48 LYS H . 51132 1 176 . 1 . 1 48 48 LYS CA C 13 56.117 0.3 . 1 . . . . . 48 LYS CA . 51132 1 177 . 1 . 1 48 48 LYS CB C 13 32.164 0.3 . 1 . . . . . 48 LYS CB . 51132 1 178 . 1 . 1 48 48 LYS CG C 13 24.413 0.3 . 1 . . . . . 48 LYS CG . 51132 1 179 . 1 . 1 48 48 LYS CD C 13 28.905 0.3 . 1 . . . . . 48 LYS CD . 51132 1 180 . 1 . 1 48 48 LYS CE C 13 41.988 0.3 . 1 . . . . . 48 LYS CE . 51132 1 181 . 1 . 1 48 48 LYS N N 15 122.200 0.3 . 1 . . . . . 48 LYS N . 51132 1 182 . 1 . 1 49 49 SER H H 1 8.234 0.020 . 1 . . . . . 49 SER H . 51132 1 183 . 1 . 1 49 49 SER CA C 13 58.541 0.3 . 1 . . . . . 49 SER CA . 51132 1 184 . 1 . 1 49 49 SER CB C 13 63.436 0.3 . 1 . . . . . 49 SER CB . 51132 1 185 . 1 . 1 49 49 SER N N 15 117.046 0.3 . 1 . . . . . 49 SER N . 51132 1 186 . 1 . 1 50 50 ILE H H 1 7.821 0.020 . 1 . . . . . 50 ILE H . 51132 1 187 . 1 . 1 50 50 ILE CA C 13 60.817 0.3 . 1 . . . . . 50 ILE CA . 51132 1 188 . 1 . 1 50 50 ILE CB C 13 38.303 0.3 . 1 . . . . . 50 ILE CB . 51132 1 189 . 1 . 1 50 50 ILE CG1 C 13 26.992 0.3 . 1 . . . . . 50 ILE CG1 . 51132 1 190 . 1 . 1 50 50 ILE CG2 C 13 17.453 0.3 . 1 . . . . . 50 ILE CG2 . 51132 1 191 . 1 . 1 50 50 ILE CD1 C 13 12.816 0.3 . 1 . . . . . 50 ILE CD1 . 51132 1 192 . 1 . 1 50 50 ILE N N 15 121.963 0.3 . 1 . . . . . 50 ILE N . 51132 1 193 . 1 . 1 51 51 LEU H H 1 8.052 0.020 . 1 . . . . . 51 LEU H . 51132 1 194 . 1 . 1 51 51 LEU CA C 13 54.753 0.3 . 1 . . . . . 51 LEU CA . 51132 1 195 . 1 . 1 51 51 LEU CB C 13 41.930 0.3 . 1 . . . . . 51 LEU CB . 51132 1 196 . 1 . 1 51 51 LEU CG C 13 27.014 0.3 . 1 . . . . . 51 LEU CG . 51132 1 197 . 1 . 1 51 51 LEU CD1 C 13 24.176 0.3 . 1 . . . . . 51 LEU CD1 . 51132 1 198 . 1 . 1 51 51 LEU CD2 C 13 23.920 0.3 . 1 . . . . . 51 LEU CD2 . 51132 1 199 . 1 . 1 51 51 LEU N N 15 126.246 0.3 . 1 . . . . . 51 LEU N . 51132 1 200 . 1 . 1 52 52 VAL H H 1 7.997 0.020 . 1 . . . . . 52 VAL H . 51132 1 201 . 1 . 1 52 52 VAL CA C 13 61.545 0.3 . 1 . . . . . 52 VAL CA . 51132 1 202 . 1 . 1 52 52 VAL CB C 13 32.616 0.3 . 1 . . . . . 52 VAL CB . 51132 1 203 . 1 . 1 52 52 VAL CG1 C 13 21.506 0.3 . 1 . . . . . 52 VAL CG1 . 51132 1 204 . 1 . 1 52 52 VAL N N 15 122.138 0.3 . 1 . . . . . 52 VAL N . 51132 1 205 . 1 . 1 53 53 SER H H 1 8.136 0.020 . 1 . . . . . 53 SER H . 51132 1 206 . 1 . 1 53 53 SER CA C 13 59.680 0.3 . 1 . . . . . 53 SER CA . 51132 1 207 . 1 . 1 53 53 SER CB C 13 63.621 0.3 . 1 . . . . . 53 SER CB . 51132 1 208 . 1 . 1 53 53 SER N N 15 118.128 0.3 . 1 . . . . . 53 SER N . 51132 1 209 . 1 . 1 54 54 PRO CA C 13 63.216 0.3 . 1 . . . . . 54 PRO CA . 51132 1 210 . 1 . 1 54 54 PRO CB C 13 31.920 0.3 . 1 . . . . . 54 PRO CB . 51132 1 211 . 1 . 1 54 54 PRO CG C 13 27.329 0.3 . 1 . . . . . 54 PRO CG . 51132 1 212 . 1 . 1 54 54 PRO CD C 13 51.052 0.3 . 1 . . . . . 54 PRO CD . 51132 1 213 . 1 . 1 55 55 THR H H 1 8.020 0.020 . 1 . . . . . 55 THR H . 51132 1 214 . 1 . 1 55 55 THR CA C 13 61.346 0.3 . 1 . . . . . 55 THR CA . 51132 1 215 . 1 . 1 55 55 THR CB C 13 69.541 0.3 . 1 . . . . . 55 THR CB . 51132 1 216 . 1 . 1 55 55 THR CG2 C 13 21.418 0.3 . 1 . . . . . 55 THR CG2 . 51132 1 217 . 1 . 1 55 55 THR N N 15 113.040 0.3 . 1 . . . . . 55 THR N . 51132 1 218 . 1 . 1 56 56 GLY H H 1 7.996 0.020 . 1 . . . . . 56 GLY H . 51132 1 219 . 1 . 1 56 56 GLY CA C 13 44.350 0.3 . 1 . . . . . 56 GLY CA . 51132 1 220 . 1 . 1 56 56 GLY N N 15 111.036 0.3 . 1 . . . . . 56 GLY N . 51132 1 221 . 1 . 1 57 57 PRO CA C 13 63.044 0.3 . 1 . . . . . 57 PRO CA . 51132 1 222 . 1 . 1 57 57 PRO CB C 13 31.885 0.3 . 1 . . . . . 57 PRO CB . 51132 1 223 . 1 . 1 57 57 PRO CG C 13 27.456 0.3 . 1 . . . . . 57 PRO CG . 51132 1 224 . 1 . 1 57 57 PRO CD C 13 51.257 0.3 . 1 . . . . . 57 PRO CD . 51132 1 225 . 1 . 1 58 58 SER H H 1 8.366 0.020 . 1 . . . . . 58 SER H . 51132 1 226 . 1 . 1 58 58 SER CA C 13 58.313 0.3 . 1 . . . . . 58 SER CA . 51132 1 227 . 1 . 1 58 58 SER CB C 13 63.516 0.3 . 1 . . . . . 58 SER CB . 51132 1 228 . 1 . 1 58 58 SER N N 15 116.422 0.3 . 1 . . . . . 58 SER N . 51132 1 229 . 1 . 1 59 59 ARG H H 1 8.233 0.020 . 1 . . . . . 59 ARG H . 51132 1 230 . 1 . 1 59 59 ARG CA C 13 55.804 0.3 . 1 . . . . . 59 ARG CA . 51132 1 231 . 1 . 1 59 59 ARG CB C 13 30.586 0.3 . 1 . . . . . 59 ARG CB . 51132 1 232 . 1 . 1 59 59 ARG CG C 13 26.777 0.3 . 1 . . . . . 59 ARG CG . 51132 1 233 . 1 . 1 59 59 ARG CD C 13 43.170 0.3 . 1 . . . . . 59 ARG CD . 51132 1 234 . 1 . 1 59 59 ARG N N 15 123.301 0.3 . 1 . . . . . 59 ARG N . 51132 1 235 . 1 . 1 60 60 VAL H H 1 7.970 0.020 . 1 . . . . . 60 VAL H . 51132 1 236 . 1 . 1 60 60 VAL CA C 13 61.944 0.3 . 1 . . . . . 60 VAL CA . 51132 1 237 . 1 . 1 60 60 VAL CB C 13 32.618 0.3 . 1 . . . . . 60 VAL CB . 51132 1 238 . 1 . 1 60 60 VAL CG1 C 13 20.472 0.3 . 1 . . . . . 60 VAL CG1 . 51132 1 239 . 1 . 1 60 60 VAL N N 15 121.355 0.3 . 1 . . . . . 60 VAL N . 51132 1 240 . 1 . 1 61 61 ALA H H 1 8.180 0.020 . 1 . . . . . 61 ALA H . 51132 1 241 . 1 . 1 61 61 ALA CA C 13 52.023 0.3 . 1 . . . . . 61 ALA CA . 51132 1 242 . 1 . 1 61 61 ALA CB C 13 19.104 0.3 . 1 . . . . . 61 ALA CB . 51132 1 243 . 1 . 1 61 61 ALA N N 15 127.749 0.3 . 1 . . . . . 61 ALA N . 51132 1 244 . 1 . 1 62 62 PHE H H 1 7.983 0.020 . 1 . . . . . 62 PHE H . 51132 1 245 . 1 . 1 62 62 PHE CA C 13 57.110 0.3 . 1 . . . . . 62 PHE CA . 51132 1 246 . 1 . 1 62 62 PHE CB C 13 39.730 0.3 . 1 . . . . . 62 PHE CB . 51132 1 247 . 1 . 1 62 62 PHE N N 15 119.934 0.3 . 1 . . . . . 62 PHE N . 51132 1 248 . 1 . 1 63 63 ASP H H 1 8.112 0.020 . 1 . . . . . 63 ASP H . 51132 1 249 . 1 . 1 63 63 ASP CA C 13 51.051 0.3 . 1 . . . . . 63 ASP CA . 51132 1 250 . 1 . 1 63 63 ASP CB C 13 41.189 0.3 . 1 . . . . . 63 ASP CB . 51132 1 251 . 1 . 1 63 63 ASP N N 15 124.650 0.3 . 1 . . . . . 63 ASP N . 51132 1 252 . 1 . 1 64 64 PRO CA C 13 63.276 0.3 . 1 . . . . . 64 PRO CA . 51132 1 253 . 1 . 1 64 64 PRO CB C 13 31.873 0.3 . 1 . . . . . 64 PRO CB . 51132 1 254 . 1 . 1 64 64 PRO CG C 13 26.935 0.3 . 1 . . . . . 64 PRO CG . 51132 1 255 . 1 . 1 64 64 PRO CD C 13 50.921 0.3 . 1 . . . . . 64 PRO CD . 51132 1 256 . 1 . 1 65 65 GLU H H 1 8.156 0.020 . 1 . . . . . 65 GLU H . 51132 1 257 . 1 . 1 65 65 GLU CA C 13 56.269 0.3 . 1 . . . . . 65 GLU CA . 51132 1 258 . 1 . 1 65 65 GLU CB C 13 29.457 0.3 . 1 . . . . . 65 GLU CB . 51132 1 259 . 1 . 1 65 65 GLU CG C 13 36.077 0.3 . 1 . . . . . 65 GLU CG . 51132 1 260 . 1 . 1 65 65 GLU N N 15 118.997 0.3 . 1 . . . . . 65 GLU N . 51132 1 261 . 1 . 1 66 66 GLN H H 1 7.835 0.020 . 1 . . . . . 66 GLN H . 51132 1 262 . 1 . 1 66 66 GLN CA C 13 55.207 0.3 . 1 . . . . . 66 GLN CA . 51132 1 263 . 1 . 1 66 66 GLN CB C 13 28.980 0.3 . 1 . . . . . 66 GLN CB . 51132 1 264 . 1 . 1 66 66 GLN CG C 13 33.490 0.3 . 1 . . . . . 66 GLN CG . 51132 1 265 . 1 . 1 66 66 GLN N N 15 120.511 0.3 . 1 . . . . . 66 GLN N . 51132 1 266 . 1 . 1 67 67 LYS H H 1 8.186 0.020 . 1 . . . . . 67 LYS H . 51132 1 267 . 1 . 1 67 67 LYS CA C 13 53.997 0.3 . 1 . . . . . 67 LYS CA . 51132 1 268 . 1 . 1 67 67 LYS CB C 13 32.012 0.3 . 1 . . . . . 67 LYS CB . 51132 1 269 . 1 . 1 67 67 LYS N N 15 124.362 0.3 . 1 . . . . . 67 LYS N . 51132 1 270 . 1 . 1 68 68 PRO CA C 13 62.560 0.3 . 1 . . . . . 68 PRO CA . 51132 1 271 . 1 . 1 68 68 PRO CB C 13 32.088 0.3 . 1 . . . . . 68 PRO CB . 51132 1 272 . 1 . 1 68 68 PRO CG C 13 27.171 0.3 . 1 . . . . . 68 PRO CG . 51132 1 273 . 1 . 1 68 68 PRO CD C 13 50.502 0.3 . 1 . . . . . 68 PRO CD . 51132 1 274 . 1 . 1 69 69 LEU H H 1 8.307 0.020 . 1 . . . . . 69 LEU H . 51132 1 275 . 1 . 1 69 69 LEU CA C 13 55.056 0.3 . 1 . . . . . 69 LEU CA . 51132 1 276 . 1 . 1 69 69 LEU CB C 13 41.942 0.3 . 1 . . . . . 69 LEU CB . 51132 1 277 . 1 . 1 69 69 LEU CG C 13 26.777 0.3 . 1 . . . . . 69 LEU CG . 51132 1 278 . 1 . 1 69 69 LEU CD1 C 13 24.334 0.3 . 1 . . . . . 69 LEU CD1 . 51132 1 279 . 1 . 1 69 69 LEU N N 15 122.673 0.3 . 1 . . . . . 69 LEU N . 51132 1 280 . 1 . 1 70 70 HIS H H 1 8.062 0.020 . 1 . . . . . 70 HIS H . 51132 1 281 . 1 . 1 70 70 HIS CA C 13 55.680 0.3 . 1 . . . . . 70 HIS CA . 51132 1 282 . 1 . 1 70 70 HIS CB C 13 30.270 0.3 . 1 . . . . . 70 HIS CB . 51132 1 283 . 1 . 1 70 70 HIS N N 15 119.100 0.3 . 1 . . . . . 70 HIS N . 51132 1 284 . 1 . 1 71 71 GLY H H 1 8.167 0.020 . 1 . . . . . 71 GLY H . 51132 1 285 . 1 . 1 71 71 GLY CA C 13 44.900 0.3 . 1 . . . . . 71 GLY CA . 51132 1 286 . 1 . 1 71 71 GLY N N 15 109.873 0.3 . 1 . . . . . 71 GLY N . 51132 1 287 . 1 . 1 72 72 VAL H H 1 7.834 0.020 . 1 . . . . . 72 VAL H . 51132 1 288 . 1 . 1 72 72 VAL CA C 13 62.116 0.3 . 1 . . . . . 72 VAL CA . 51132 1 289 . 1 . 1 72 72 VAL CB C 13 32.470 0.3 . 1 . . . . . 72 VAL CB . 51132 1 290 . 1 . 1 72 72 VAL CG1 C 13 20.500 0.3 . 1 . . . . . 72 VAL CG1 . 51132 1 291 . 1 . 1 72 72 VAL N N 15 119.471 0.3 . 1 . . . . . 72 VAL N . 51132 1 292 . 1 . 1 73 73 LEU H H 1 8.202 0.020 . 1 . . . . . 73 LEU H . 51132 1 293 . 1 . 1 73 73 LEU CA C 13 54.677 0.3 . 1 . . . . . 73 LEU CA . 51132 1 294 . 1 . 1 73 73 LEU CB C 13 42.094 0.3 . 1 . . . . . 73 LEU CB . 51132 1 295 . 1 . 1 73 73 LEU CG C 13 26.962 0.3 . 1 . . . . . 73 LEU CG . 51132 1 296 . 1 . 1 73 73 LEU CD1 C 13 24.405 0.3 . 1 . . . . . 73 LEU CD1 . 51132 1 297 . 1 . 1 73 73 LEU CD2 C 13 23.974 0.3 . 1 . . . . . 73 LEU CD2 . 51132 1 298 . 1 . 1 73 73 LEU N N 15 126.349 0.3 . 1 . . . . . 73 LEU N . 51132 1 299 . 1 . 1 74 74 LYS H H 1 8.228 0.020 . 1 . . . . . 74 LYS H . 51132 1 300 . 1 . 1 74 74 LYS CA C 13 55.684 0.3 . 1 . . . . . 74 LYS CA . 51132 1 301 . 1 . 1 74 74 LYS CB C 13 32.730 0.3 . 1 . . . . . 74 LYS CB . 51132 1 302 . 1 . 1 74 74 LYS CG C 13 24.334 0.3 . 1 . . . . . 74 LYS CG . 51132 1 303 . 1 . 1 74 74 LYS CD C 13 28.826 0.3 . 1 . . . . . 74 LYS CD . 51132 1 304 . 1 . 1 74 74 LYS CE C 13 42.303 0.3 . 1 . . . . . 74 LYS CE . 51132 1 305 . 1 . 1 74 74 LYS N N 15 123.207 0.3 . 1 . . . . . 74 LYS N . 51132 1 306 . 1 . 1 75 75 THR H H 1 8.080 0.020 . 1 . . . . . 75 THR H . 51132 1 307 . 1 . 1 75 75 THR CA C 13 59.696 0.3 . 1 . . . . . 75 THR CA . 51132 1 308 . 1 . 1 75 75 THR CB C 13 69.266 0.3 . 1 . . . . . 75 THR CB . 51132 1 309 . 1 . 1 75 75 THR N N 15 118.596 0.3 . 1 . . . . . 75 THR N . 51132 1 310 . 1 . 1 76 76 PRO CA C 13 62.978 0.3 . 1 . . . . . 76 PRO CA . 51132 1 311 . 1 . 1 76 76 PRO CB C 13 32.010 0.3 . 1 . . . . . 76 PRO CB . 51132 1 312 . 1 . 1 76 76 PRO CG C 13 27.486 0.3 . 1 . . . . . 76 PRO CG . 51132 1 313 . 1 . 1 76 76 PRO CD C 13 51.603 0.3 . 1 . . . . . 76 PRO CD . 51132 1 314 . 1 . 1 77 77 THR H H 1 8.149 0.020 . 1 . . . . . 77 THR H . 51132 1 315 . 1 . 1 77 77 THR CA C 13 61.562 0.3 . 1 . . . . . 77 THR CA . 51132 1 316 . 1 . 1 77 77 THR CB C 13 69.480 0.3 . 1 . . . . . 77 THR CB . 51132 1 317 . 1 . 1 77 77 THR CG2 C 13 21.506 0.3 . 1 . . . . . 77 THR CG2 . 51132 1 318 . 1 . 1 77 77 THR N N 15 114.495 0.3 . 1 . . . . . 77 THR N . 51132 1 319 . 1 . 1 78 78 SER H H 1 8.133 0.020 . 1 . . . . . 78 SER H . 51132 1 320 . 1 . 1 78 78 SER CA C 13 57.931 0.3 . 1 . . . . . 78 SER CA . 51132 1 321 . 1 . 1 78 78 SER CB C 13 63.577 0.3 . 1 . . . . . 78 SER CB . 51132 1 322 . 1 . 1 78 78 SER N N 15 118.217 0.3 . 1 . . . . . 78 SER N . 51132 1 323 . 1 . 1 79 79 SER H H 1 8.029 0.020 . 1 . . . . . 79 SER H . 51132 1 324 . 1 . 1 79 79 SER CA C 13 55.234 0.3 . 1 . . . . . 79 SER CA . 51132 1 325 . 1 . 1 79 79 SER N N 15 117.188 0.3 . 1 . . . . . 79 SER N . 51132 1 326 . 1 . 1 80 80 PRO CA C 13 62.798 0.3 . 1 . . . . . 80 PRO CA . 51132 1 327 . 1 . 1 80 80 PRO CB C 13 31.797 0.3 . 1 . . . . . 80 PRO CB . 51132 1 328 . 1 . 1 80 80 PRO CG C 13 27.037 0.3 . 1 . . . . . 80 PRO CG . 51132 1 329 . 1 . 1 80 80 PRO CD C 13 49.748 0.3 . 1 . . . . . 80 PRO CD . 51132 1 330 . 1 . 1 81 81 ALA H H 1 8.270 0.020 . 1 . . . . . 81 ALA H . 51132 1 331 . 1 . 1 81 81 ALA CA C 13 52.232 0.3 . 1 . . . . . 81 ALA CA . 51132 1 332 . 1 . 1 81 81 ALA CB C 13 18.829 0.3 . 1 . . . . . 81 ALA CB . 51132 1 333 . 1 . 1 81 81 ALA N N 15 124.300 0.3 . 1 . . . . . 81 ALA N . 51132 1 334 . 1 . 1 82 82 SER H H 1 8.081 0.020 . 1 . . . . . 82 SER H . 51132 1 335 . 1 . 1 82 82 SER CA C 13 57.936 0.3 . 1 . . . . . 82 SER CA . 51132 1 336 . 1 . 1 82 82 SER CB C 13 63.601 0.3 . 1 . . . . . 82 SER CB . 51132 1 337 . 1 . 1 82 82 SER N N 15 114.920 0.3 . 1 . . . . . 82 SER N . 51132 1 338 . 1 . 1 83 83 SER H H 1 7.863 0.020 . 1 . . . . . 83 SER H . 51132 1 339 . 1 . 1 83 83 SER CA C 13 55.442 0.3 . 1 . . . . . 83 SER CA . 51132 1 340 . 1 . 1 83 83 SER CB C 13 63.872 0.3 . 1 . . . . . 83 SER CB . 51132 1 341 . 1 . 1 83 83 SER N N 15 116.508 0.3 . 1 . . . . . 83 SER N . 51132 1 342 . 1 . 1 84 84 PRO CA C 13 63.015 0.3 . 1 . . . . . 84 PRO CA . 51132 1 343 . 1 . 1 84 84 PRO CB C 13 31.860 0.3 . 1 . . . . . 84 PRO CB . 51132 1 344 . 1 . 1 84 84 PRO CG C 13 27.250 0.3 . 1 . . . . . 84 PRO CG . 51132 1 345 . 1 . 1 84 84 PRO CD C 13 50.670 0.3 . 1 . . . . . 84 PRO CD . 51132 1 346 . 1 . 1 85 85 LEU H H 1 8.109 0.020 . 1 . . . . . 85 LEU H . 51132 1 347 . 1 . 1 85 85 LEU CA C 13 55.056 0.3 . 1 . . . . . 85 LEU CA . 51132 1 348 . 1 . 1 85 85 LEU CB C 13 41.790 0.3 . 1 . . . . . 85 LEU CB . 51132 1 349 . 1 . 1 85 85 LEU CG C 13 27.092 0.3 . 1 . . . . . 85 LEU CG . 51132 1 350 . 1 . 1 85 85 LEU CD1 C 13 24.176 0.3 . 1 . . . . . 85 LEU CD1 . 51132 1 351 . 1 . 1 85 85 LEU N N 15 121.963 0.3 . 1 . . . . . 85 LEU N . 51132 1 352 . 1 . 1 86 86 VAL H H 1 7.872 0.020 . 1 . . . . . 86 VAL H . 51132 1 353 . 1 . 1 86 86 VAL CA C 13 61.802 0.3 . 1 . . . . . 86 VAL CA . 51132 1 354 . 1 . 1 86 86 VAL CB C 13 32.467 0.3 . 1 . . . . . 86 VAL CB . 51132 1 355 . 1 . 1 86 86 VAL CG1 C 13 20.551 0.3 . 1 . . . . . 86 VAL CG1 . 51132 1 356 . 1 . 1 86 86 VAL N N 15 121.695 0.3 . 1 . . . . . 86 VAL N . 51132 1 357 . 1 . 1 87 87 ALA H H 1 8.195 0.020 . 1 . . . . . 87 ALA H . 51132 1 358 . 1 . 1 87 87 ALA CA C 13 52.043 0.3 . 1 . . . . . 87 ALA CA . 51132 1 359 . 1 . 1 87 87 ALA CB C 13 18.972 0.3 . 1 . . . . . 87 ALA CB . 51132 1 360 . 1 . 1 87 87 ALA N N 15 128.480 0.3 . 1 . . . . . 87 ALA N . 51132 1 361 . 1 . 1 88 88 LYS H H 1 8.269 0.020 . 1 . . . . . 88 LYS H . 51132 1 362 . 1 . 1 88 88 LYS CA C 13 56.117 0.3 . 1 . . . . . 88 LYS CA . 51132 1 363 . 1 . 1 88 88 LYS CB C 13 32.770 0.3 . 1 . . . . . 88 LYS CB . 51132 1 364 . 1 . 1 88 88 LYS CG C 13 24.334 0.3 . 1 . . . . . 88 LYS CG . 51132 1 365 . 1 . 1 88 88 LYS CD C 13 29.536 0.3 . 1 . . . . . 88 LYS CD . 51132 1 366 . 1 . 1 88 88 LYS CE C 13 41.870 0.3 . 1 . . . . . 88 LYS CE . 51132 1 367 . 1 . 1 88 88 LYS N N 15 121.304 0.3 . 1 . . . . . 88 LYS N . 51132 1 368 . 1 . 1 89 89 LYS H H 1 8.209 0.020 . 1 . . . . . 89 LYS H . 51132 1 369 . 1 . 1 89 89 LYS CA C 13 54.031 0.3 . 1 . . . . . 89 LYS CA . 51132 1 370 . 1 . 1 89 89 LYS CB C 13 32.164 0.3 . 1 . . . . . 89 LYS CB . 51132 1 371 . 1 . 1 89 89 LYS N N 15 124.498 0.3 . 1 . . . . . 89 LYS N . 51132 1 372 . 1 . 1 90 90 PRO CA C 13 62.636 0.3 . 1 . . . . . 90 PRO CA . 51132 1 373 . 1 . 1 90 90 PRO CB C 13 31.785 0.3 . 1 . . . . . 90 PRO CB . 51132 1 374 . 1 . 1 90 90 PRO CG C 13 27.329 0.3 . 1 . . . . . 90 PRO CG . 51132 1 375 . 1 . 1 90 90 PRO CD C 13 50.419 0.3 . 1 . . . . . 90 PRO CD . 51132 1 376 . 1 . 1 91 91 LEU H H 1 8.231 0.020 . 1 . . . . . 91 LEU H . 51132 1 377 . 1 . 1 91 91 LEU CA C 13 54.904 0.3 . 1 . . . . . 91 LEU CA . 51132 1 378 . 1 . 1 91 91 LEU CB C 13 41.790 0.3 . 1 . . . . . 91 LEU CB . 51132 1 379 . 1 . 1 91 91 LEU CG C 13 27.014 0.3 . 1 . . . . . 91 LEU CG . 51132 1 380 . 1 . 1 91 91 LEU CD1 C 13 24.334 0.3 . 1 . . . . . 91 LEU CD1 . 51132 1 381 . 1 . 1 91 91 LEU N N 15 122.498 0.3 . 1 . . . . . 91 LEU N . 51132 1 382 . 1 . 1 92 92 THR H H 1 8.041 0.020 . 1 . . . . . 92 THR H . 51132 1 383 . 1 . 1 92 92 THR CA C 13 61.291 0.3 . 1 . . . . . 92 THR CA . 51132 1 384 . 1 . 1 92 92 THR CB C 13 69.651 0.3 . 1 . . . . . 92 THR CB . 51132 1 385 . 1 . 1 92 92 THR CG2 C 13 21.497 0.3 . 1 . . . . . 92 THR CG2 . 51132 1 386 . 1 . 1 92 92 THR N N 15 115.099 0.3 . 1 . . . . . 92 THR N . 51132 1 387 . 1 . 1 93 93 THR H H 1 8.039 0.020 . 1 . . . . . 93 THR H . 51132 1 388 . 1 . 1 93 93 THR CA C 13 61.380 0.3 . 1 . . . . . 93 THR CA . 51132 1 389 . 1 . 1 93 93 THR CB C 13 69.480 0.3 . 1 . . . . . 93 THR CB . 51132 1 390 . 1 . 1 93 93 THR CG2 C 13 21.422 0.3 . 1 . . . . . 93 THR CG2 . 51132 1 391 . 1 . 1 93 93 THR N N 15 116.223 0.3 . 1 . . . . . 93 THR N . 51132 1 392 . 1 . 1 94 94 THR H H 1 8.033 0.020 . 1 . . . . . 94 THR H . 51132 1 393 . 1 . 1 94 94 THR CA C 13 61.291 0.3 . 1 . . . . . 94 THR CA . 51132 1 394 . 1 . 1 94 94 THR CB C 13 69.651 0.3 . 1 . . . . . 94 THR CB . 51132 1 395 . 1 . 1 94 94 THR N N 15 116.206 0.3 . 1 . . . . . 94 THR N . 51132 1 396 . 1 . 1 95 95 PRO CA C 13 62.918 0.3 . 1 . . . . . 95 PRO CA . 51132 1 397 . 1 . 1 95 95 PRO CB C 13 32.012 0.3 . 1 . . . . . 95 PRO CB . 51132 1 398 . 1 . 1 95 95 PRO CG C 13 27.329 0.3 . 1 . . . . . 95 PRO CG . 51132 1 399 . 1 . 1 95 95 PRO CD C 13 51.052 0.3 . 1 . . . . . 95 PRO CD . 51132 1 400 . 1 . 1 96 96 ARG H H 1 8.305 0.020 . 1 . . . . . 96 ARG H . 51132 1 401 . 1 . 1 96 96 ARG CA C 13 55.890 0.3 . 1 . . . . . 96 ARG CA . 51132 1 402 . 1 . 1 96 96 ARG CB C 13 30.420 0.3 . 1 . . . . . 96 ARG CB . 51132 1 403 . 1 . 1 96 96 ARG CG C 13 26.856 0.3 . 1 . . . . . 96 ARG CG . 51132 1 404 . 1 . 1 96 96 ARG CD C 13 43.092 0.3 . 1 . . . . . 96 ARG CD . 51132 1 405 . 1 . 1 96 96 ARG N N 15 121.911 0.3 . 1 . . . . . 96 ARG N . 51132 1 406 . 1 . 1 97 97 ARG H H 1 8.265 0.020 . 1 . . . . . 97 ARG H . 51132 1 407 . 1 . 1 97 97 ARG CA C 13 55.761 0.3 . 1 . . . . . 97 ARG CA . 51132 1 408 . 1 . 1 97 97 ARG CB C 13 30.655 0.3 . 1 . . . . . 97 ARG CB . 51132 1 409 . 1 . 1 97 97 ARG CG C 13 26.935 0.3 . 1 . . . . . 97 ARG CG . 51132 1 410 . 1 . 1 97 97 ARG CD C 13 43.170 0.3 . 1 . . . . . 97 ARG CD . 51132 1 411 . 1 . 1 97 97 ARG N N 15 123.209 0.3 . 1 . . . . . 97 ARG N . 51132 1 412 . 1 . 1 98 98 ARG H H 1 8.319 0.020 . 1 . . . . . 98 ARG H . 51132 1 413 . 1 . 1 98 98 ARG CA C 13 53.829 0.3 . 1 . . . . . 98 ARG CA . 51132 1 414 . 1 . 1 98 98 ARG CB C 13 29.510 0.3 . 1 . . . . . 98 ARG CB . 51132 1 415 . 1 . 1 98 98 ARG N N 15 124.269 0.3 . 1 . . . . . 98 ARG N . 51132 1 416 . 1 . 1 99 99 PRO CA C 13 61.846 0.3 . 1 . . . . . 99 PRO CA . 51132 1 417 . 1 . 1 99 99 PRO CB C 13 32.071 0.3 . 1 . . . . . 99 PRO CB . 51132 1 418 . 1 . 1 99 99 PRO CG C 13 27.361 0.3 . 1 . . . . . 99 PRO CG . 51132 1 419 . 1 . 1 99 99 PRO CD C 13 51.130 0.3 . 1 . . . . . 99 PRO CD . 51132 1 420 . 1 . 1 100 100 ARG H H 1 8.308 0.020 . 1 . . . . . 100 ARG H . 51132 1 421 . 1 . 1 100 100 ARG CA C 13 55.952 0.3 . 1 . . . . . 100 ARG CA . 51132 1 422 . 1 . 1 100 100 ARG CB C 13 30.420 0.3 . 1 . . . . . 100 ARG CB . 51132 1 423 . 1 . 1 100 100 ARG CG C 13 26.698 0.3 . 1 . . . . . 100 ARG CG . 51132 1 424 . 1 . 1 100 100 ARG CD C 13 43.170 0.3 . 1 . . . . . 100 ARG CD . 51132 1 425 . 1 . 1 100 100 ARG N N 15 121.561 0.3 . 1 . . . . . 100 ARG N . 51132 1 426 . 1 . 1 101 101 ALA H H 1 8.239 0.020 . 1 . . . . . 101 ALA H . 51132 1 427 . 1 . 1 101 101 ALA CA C 13 52.757 0.3 . 1 . . . . . 101 ALA CA . 51132 1 428 . 1 . 1 101 101 ALA CB C 13 18.671 0.3 . 1 . . . . . 101 ALA CB . 51132 1 429 . 1 . 1 101 101 ALA N N 15 124.805 0.3 . 1 . . . . . 101 ALA N . 51132 1 430 . 1 . 1 102 102 MET H H 1 8.069 0.020 . 1 . . . . . 102 MET H . 51132 1 431 . 1 . 1 102 102 MET CA C 13 55.295 0.3 . 1 . . . . . 102 MET CA . 51132 1 432 . 1 . 1 102 102 MET CB C 13 32.250 0.3 . 1 . . . . . 102 MET CB . 51132 1 433 . 1 . 1 102 102 MET CG C 13 31.936 0.3 . 1 . . . . . 102 MET CG . 51132 1 434 . 1 . 1 102 102 MET N N 15 117.793 0.3 . 1 . . . . . 102 MET N . 51132 1 435 . 1 . 1 103 103 ASP H H 1 7.865 0.020 . 1 . . . . . 103 ASP H . 51132 1 436 . 1 . 1 103 103 ASP CA C 13 54.030 0.3 . 1 . . . . . 103 ASP CA . 51132 1 437 . 1 . 1 103 103 ASP CB C 13 40.995 0.3 . 1 . . . . . 103 ASP CB . 51132 1 438 . 1 . 1 103 103 ASP N N 15 120.233 0.3 . 1 . . . . . 103 ASP N . 51132 1 439 . 1 . 1 104 104 PHE H H 1 7.756 0.020 . 1 . . . . . 104 PHE H . 51132 1 440 . 1 . 1 104 104 PHE CA C 13 57.275 0.3 . 1 . . . . . 104 PHE CA . 51132 1 441 . 1 . 1 104 104 PHE CB C 13 39.345 0.3 . 1 . . . . . 104 PHE CB . 51132 1 442 . 1 . 1 104 104 PHE N N 15 119.399 0.3 . 1 . . . . . 104 PHE N . 51132 1 443 . 1 . 1 105 105 PHE H H 1 7.435 0.020 . 1 . . . . . 105 PHE H . 51132 1 444 . 1 . 1 105 105 PHE CA C 13 58.754 0.3 . 1 . . . . . 105 PHE CA . 51132 1 445 . 1 . 1 105 105 PHE CB C 13 39.988 0.3 . 1 . . . . . 105 PHE CB . 51132 1 446 . 1 . 1 105 105 PHE N N 15 125.841 0.3 . 1 . . . . . 105 PHE N . 51132 1 stop_ save_