data_53838 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53838 _Entry.Title ; Drosophila SPT5 CTR1 Chemical Shifts ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2026-06-04 _Entry.Accession_date 2026-06-04 _Entry.Last_release_date 2026-06-09 _Entry.Original_release_date 2026-06-09 _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 'Carbon-13 and nitrogen-15 chemical shift assignments for Drosophila SPT5 C-terminal region 1.' _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 Rong Hu . . . . 53838 2 Scott Showalter . A. . 0000-0001-5179-032X 53838 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53838 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 298 53838 '15N chemical shifts' 83 53838 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 . . 2026-10-17 . original BMRB . 53838 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53839 'Drosophila SPT5 CTR1 with pThr Chemical Shifts' 53838 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53838 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 42622275 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Multisite Threonine Phosphorylation in the SPT5 C-Terminal Region 1 Enables Sequence-Dependent Regulation without Global Structural Remodeling ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Phys. Chem. B' _Citation.Journal_name_full . _Citation.Journal_volume 130 _Citation.Journal_issue 33 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-5207 _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 8409 _Citation.Page_last 8422 _Citation.Year 2026 _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 Rong Hu . . . . 53838 1 2 Emery Usher . T. . . 53838 1 3 Olivia Fraser . A. . . 53838 1 4 Wei Chen . . . . 53838 1 5 Alex Holehouse . S. . . 53838 1 6 Scott Showalter . A. . . 53838 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53838 _Assembly.ID 1 _Assembly.Name SPT5-CTR1 _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 SPT5-CTR1 1 $entity_1 . . yes native no no . . . 53838 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53838 _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 ; SNAGSVSTYGRTPARTPGYG AQTPSYTAAGSKTPLVGSQT PNWDTDTRTPYGTMTPSHDG SMTPRHGAWDPTANTTPARN NDFDYSLE ; _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 88 _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 1 793 SER . 53838 1 2 794 ASN . 53838 1 3 795 ALA . 53838 1 4 796 GLY . 53838 1 5 797 SER . 53838 1 6 798 VAL . 53838 1 7 799 SER . 53838 1 8 800 THR . 53838 1 9 801 TYR . 53838 1 10 802 GLY . 53838 1 11 803 ARG . 53838 1 12 804 THR . 53838 1 13 805 PRO . 53838 1 14 806 ALA . 53838 1 15 807 ARG . 53838 1 16 808 THR . 53838 1 17 809 PRO . 53838 1 18 810 GLY . 53838 1 19 811 TYR . 53838 1 20 812 GLY . 53838 1 21 813 ALA . 53838 1 22 814 GLN . 53838 1 23 815 THR . 53838 1 24 816 PRO . 53838 1 25 817 SER . 53838 1 26 818 TYR . 53838 1 27 819 THR . 53838 1 28 820 ALA . 53838 1 29 821 ALA . 53838 1 30 822 GLY . 53838 1 31 823 SER . 53838 1 32 824 LYS . 53838 1 33 825 THR . 53838 1 34 826 PRO . 53838 1 35 827 LEU . 53838 1 36 828 VAL . 53838 1 37 829 GLY . 53838 1 38 830 SER . 53838 1 39 831 GLN . 53838 1 40 832 THR . 53838 1 41 833 PRO . 53838 1 42 834 ASN . 53838 1 43 835 TRP . 53838 1 44 836 ASP . 53838 1 45 837 THR . 53838 1 46 838 ASP . 53838 1 47 839 THR . 53838 1 48 840 ARG . 53838 1 49 841 THR . 53838 1 50 842 PRO . 53838 1 51 843 TYR . 53838 1 52 844 GLY . 53838 1 53 845 THR . 53838 1 54 846 MET . 53838 1 55 847 THR . 53838 1 56 848 PRO . 53838 1 57 849 SER . 53838 1 58 850 HIS . 53838 1 59 851 ASP . 53838 1 60 852 GLY . 53838 1 61 853 SER . 53838 1 62 854 MET . 53838 1 63 855 THR . 53838 1 64 856 PRO . 53838 1 65 857 ARG . 53838 1 66 858 HIS . 53838 1 67 859 GLY . 53838 1 68 860 ALA . 53838 1 69 861 TRP . 53838 1 70 862 ASP . 53838 1 71 863 PRO . 53838 1 72 864 THR . 53838 1 73 865 ALA . 53838 1 74 866 ASN . 53838 1 75 867 THR . 53838 1 76 868 THR . 53838 1 77 869 PRO . 53838 1 78 870 ALA . 53838 1 79 871 ARG . 53838 1 80 872 ASN . 53838 1 81 873 ASN . 53838 1 82 874 ASP . 53838 1 83 875 PHE . 53838 1 84 876 ASP . 53838 1 85 877 TYR . 53838 1 86 878 SER . 53838 1 87 879 LEU . 53838 1 88 880 GLU . 53838 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 . SER 1 1 53838 1 . ASN 2 2 53838 1 . ALA 3 3 53838 1 . GLY 4 4 53838 1 . SER 5 5 53838 1 . VAL 6 6 53838 1 . SER 7 7 53838 1 . THR 8 8 53838 1 . TYR 9 9 53838 1 . GLY 10 10 53838 1 . ARG 11 11 53838 1 . THR 12 12 53838 1 . PRO 13 13 53838 1 . ALA 14 14 53838 1 . ARG 15 15 53838 1 . THR 16 16 53838 1 . PRO 17 17 53838 1 . GLY 18 18 53838 1 . TYR 19 19 53838 1 . GLY 20 20 53838 1 . ALA 21 21 53838 1 . GLN 22 22 53838 1 . THR 23 23 53838 1 . PRO 24 24 53838 1 . SER 25 25 53838 1 . TYR 26 26 53838 1 . THR 27 27 53838 1 . ALA 28 28 53838 1 . ALA 29 29 53838 1 . GLY 30 30 53838 1 . SER 31 31 53838 1 . LYS 32 32 53838 1 . THR 33 33 53838 1 . PRO 34 34 53838 1 . LEU 35 35 53838 1 . VAL 36 36 53838 1 . GLY 37 37 53838 1 . SER 38 38 53838 1 . GLN 39 39 53838 1 . THR 40 40 53838 1 . PRO 41 41 53838 1 . ASN 42 42 53838 1 . TRP 43 43 53838 1 . ASP 44 44 53838 1 . THR 45 45 53838 1 . ASP 46 46 53838 1 . THR 47 47 53838 1 . ARG 48 48 53838 1 . THR 49 49 53838 1 . PRO 50 50 53838 1 . TYR 51 51 53838 1 . GLY 52 52 53838 1 . THR 53 53 53838 1 . MET 54 54 53838 1 . THR 55 55 53838 1 . PRO 56 56 53838 1 . SER 57 57 53838 1 . HIS 58 58 53838 1 . ASP 59 59 53838 1 . GLY 60 60 53838 1 . SER 61 61 53838 1 . MET 62 62 53838 1 . THR 63 63 53838 1 . PRO 64 64 53838 1 . ARG 65 65 53838 1 . HIS 66 66 53838 1 . GLY 67 67 53838 1 . ALA 68 68 53838 1 . TRP 69 69 53838 1 . ASP 70 70 53838 1 . PRO 71 71 53838 1 . THR 72 72 53838 1 . ALA 73 73 53838 1 . ASN 74 74 53838 1 . THR 75 75 53838 1 . THR 76 76 53838 1 . PRO 77 77 53838 1 . ALA 78 78 53838 1 . ARG 79 79 53838 1 . ASN 80 80 53838 1 . ASN 81 81 53838 1 . ASP 82 82 53838 1 . PHE 83 83 53838 1 . ASP 84 84 53838 1 . TYR 85 85 53838 1 . SER 86 86 53838 1 . LEU 87 87 53838 1 . GLU 88 88 53838 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 53838 _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 . . . . . . . . . . . . . 53838 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 53838 _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 . . 'pET His6 MBP TEV LIC' . . . 53838 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53838 _Sample.ID 1 _Sample.Name SPT5-CTR1 _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 SPT5-CTR1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 800 . . uM . . . . 53838 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 53838 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 53838 1 4 imidazole 'natural abundance' . . . . . . 50 . . mM . . . . 53838 1 5 'potassium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 53838 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 53838 _Sample_condition_list.ID 1 _Sample_condition_list.Name SPT5-CTR1 _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 'ionic strength' 450 . mM 53838 1 pH 7.5 . pH 53838 1 pressure 1 . atm 53838 1 temperature 298 . K 53838 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53838 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2.6 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53838 1 processing . 53838 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53838 _Software.ID 2 _Software.Type . _Software.Name POKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53838 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 53838 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance NEO 600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _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 53838 _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 15N-13C CON' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53838 1 2 '2D 15N-13C-Proline-CON' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53838 1 3 '3D (HACA)N(CA)CON' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53838 1 4 '3D (HACA)N(CA)NCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53838 1 5 '3D (H)CCCON' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53838 1 6 '3D (H)CCCdNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53838 1 7 '3D Proline-selective (H)CCCON' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53838 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 53838 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name SPT5-CTR1 _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 -2.62 external indirect 0.251449530 . . . . . 53838 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 53838 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 53838 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name SPT5-CTR1 _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 15N-13C CON' . . . 53838 1 2 '2D 15N-13C-Proline-CON' . . . 53838 1 3 '3D (HACA)N(CA)CON' . . . 53838 1 4 '3D (HACA)N(CA)NCO' . . . 53838 1 5 '3D (H)CCCON' . . . 53838 1 6 '3D (H)CCCdNCO' . . . 53838 1 7 '3D Proline-selective (H)CCCON' . . . 53838 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 2 $software_2 . . 53838 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 6 6 VAL C C 13 176.3 . . . . . . . . 798 VAL C . 53838 1 2 . 1 . 1 6 6 VAL CA C 13 62.16 . . . . . . . . 798 VAL CA . 53838 1 3 . 1 . 1 6 6 VAL CB C 13 31.71 . . . . . . . . 798 VAL CB . 53838 1 4 . 1 . 1 6 6 VAL CG1 C 13 20.62 . . . . . . . . 798 VAL CG1 . 53838 1 5 . 1 . 1 6 6 VAL CG2 C 13 20.62 . . . . . . . . 798 VAL CG2 . 53838 1 6 . 1 . 1 6 6 VAL N N 15 121.3 . . . . . . . . 798 VAL N . 53838 1 7 . 1 . 1 7 7 SER C C 13 174.8 . . . . . . . . 799 SER C . 53838 1 8 . 1 . 1 7 7 SER CA C 13 58.11 . . . . . . . . 799 SER CA . 53838 1 9 . 1 . 1 7 7 SER CB C 13 64.36 . . . . . . . . 799 SER CB . 53838 1 10 . 1 . 1 7 7 SER N N 15 119.1 . . . . . . . . 799 SER N . 53838 1 11 . 1 . 1 8 8 THR C C 13 174.4 . . . . . . . . 800 THR C . 53838 1 12 . 1 . 1 8 8 THR CA C 13 61.82 . . . . . . . . 800 THR CA . 53838 1 13 . 1 . 1 8 8 THR CB C 13 69.38 . . . . . . . . 800 THR CB . 53838 1 14 . 1 . 1 8 8 THR CG2 C 13 21.42 . . . . . . . . 800 THR CG . 53838 1 15 . 1 . 1 8 8 THR N N 15 115.6 . . . . . . . . 800 THR N . 53838 1 16 . 1 . 1 9 9 TYR C C 13 176.3 . . . . . . . . 801 TYR C . 53838 1 17 . 1 . 1 9 9 TYR CA C 13 58.01 . . . . . . . . 801 TYR CA . 53838 1 18 . 1 . 1 9 9 TYR CB C 13 38.4 . . . . . . . . 801 TYR CB . 53838 1 19 . 1 . 1 9 9 TYR N N 15 122 . . . . . . . . 801 TYR N . 53838 1 20 . 1 . 1 10 10 GLY C C 13 173.8 . . . . . . . . 802 GLY C . 53838 1 21 . 1 . 1 10 10 GLY CA C 13 45.07 . . . . . . . . 802 GLY CA . 53838 1 22 . 1 . 1 10 10 GLY N N 15 110.6 . . . . . . . . 802 GLY N . 53838 1 23 . 1 . 1 11 11 ARG C C 13 176.2 . . . . . . . . 803 ARG C . 53838 1 24 . 1 . 1 11 11 ARG CA C 13 55.58 . . . . . . . . 803 ARG CA . 53838 1 25 . 1 . 1 11 11 ARG CB C 13 30.92 . . . . . . . . 803 ARG CB . 53838 1 26 . 1 . 1 11 11 ARG CG C 13 26.8 . . . . . . . . 803 ARG CG . 53838 1 27 . 1 . 1 11 11 ARG CD C 13 43.14 . . . . . . . . 803 ARG CD . 53838 1 28 . 1 . 1 11 11 ARG N N 15 120.2 . . . . . . . . 803 ARG N . 53838 1 29 . 1 . 1 12 12 THR C C 13 172.7 . . . . . . . . 804 THR C . 53838 1 30 . 1 . 1 12 12 THR CA C 13 59.71 . . . . . . . . 804 THR CA . 53838 1 31 . 1 . 1 12 12 THR CB C 13 69.76 . . . . . . . . 804 THR CB . 53838 1 32 . 1 . 1 12 12 THR CG2 C 13 21.24 . . . . . . . . 804 THR CG . 53838 1 33 . 1 . 1 12 12 THR N N 15 118 . . . . . . . . 804 THR N . 53838 1 34 . 1 . 1 13 13 PRO C C 13 176.4 . . . . . . . . 805 PRO C . 53838 1 35 . 1 . 1 13 13 PRO CA C 13 62.96 . . . . . . . . 805 PRO CA . 53838 1 36 . 1 . 1 13 13 PRO CD C 13 50.88 . . . . . . . . 805 PRO CD . 53838 1 37 . 1 . 1 13 13 PRO N N 15 139 . . . . . . . . 805 PRO N . 53838 1 38 . 1 . 1 14 14 ALA C C 13 177.6 . . . . . . . . 806 ALA C . 53838 1 39 . 1 . 1 14 14 ALA CA C 13 53.03 . . . . . . . . 806 ALA CA . 53838 1 40 . 1 . 1 14 14 ALA CB C 13 18.98 . . . . . . . . 806 ALA CB . 53838 1 41 . 1 . 1 14 14 ALA N N 15 124.3 . . . . . . . . 806 ALA N . 53838 1 42 . 1 . 1 15 15 ARG C C 13 176.1 . . . . . . . . 807 ARG C . 53838 1 43 . 1 . 1 15 15 ARG CA C 13 55.47 . . . . . . . . 807 ARG CA . 53838 1 44 . 1 . 1 15 15 ARG CB C 13 30.73 . . . . . . . . 807 ARG CB . 53838 1 45 . 1 . 1 15 15 ARG CG C 13 26.76 . . . . . . . . 807 ARG CG . 53838 1 46 . 1 . 1 15 15 ARG CD C 13 43.14 . . . . . . . . 807 ARG CD . 53838 1 47 . 1 . 1 15 15 ARG N N 15 120.2 . . . . . . . . 807 ARG N . 53838 1 48 . 1 . 1 16 16 THR C C 13 172.8 . . . . . . . . 808 THR C . 53838 1 49 . 1 . 1 16 16 THR CA C 13 59.7 . . . . . . . . 808 THR CA . 53838 1 50 . 1 . 1 16 16 THR CB C 13 69.75 . . . . . . . . 808 THR CB . 53838 1 51 . 1 . 1 16 16 THR CG2 C 13 21.37 . . . . . . . . 808 THR CG . 53838 1 52 . 1 . 1 16 16 THR N N 15 117.8 . . . . . . . . 808 THR N . 53838 1 53 . 1 . 1 17 17 PRO C C 13 177.3 . . . . . . . . 809 PRO C . 53838 1 54 . 1 . 1 17 17 PRO CA C 13 63.47 . . . . . . . . 809 PRO CA . 53838 1 55 . 1 . 1 17 17 PRO CB C 13 31.86 . . . . . . . . 809 PRO CB . 53838 1 56 . 1 . 1 17 17 PRO CG C 13 27.19 . . . . . . . . 809 PRO CG . 53838 1 57 . 1 . 1 17 17 PRO CD C 13 50.82 . . . . . . . . 809 PRO CD . 53838 1 58 . 1 . 1 17 17 PRO N N 15 138.6 . . . . . . . . 809 PRO N . 53838 1 59 . 1 . 1 18 18 GLY C C 13 173.9 . . . . . . . . 810 GLY C . 53838 1 60 . 1 . 1 18 18 GLY CA C 13 44.97 . . . . . . . . 810 GLY CA . 53838 1 61 . 1 . 1 18 18 GLY N N 15 109.2 . . . . . . . . 810 GLY N . 53838 1 62 . 1 . 1 19 19 TYR C C 13 176.4 . . . . . . . . 811 TYR C . 53838 1 63 . 1 . 1 19 19 TYR CA C 13 58.06 . . . . . . . . 811 TYR CA . 53838 1 64 . 1 . 1 19 19 TYR CB C 13 38.6 . . . . . . . . 811 TYR CB . 53838 1 65 . 1 . 1 19 19 TYR N N 15 120.1 . . . . . . . . 811 TYR N . 53838 1 66 . 1 . 1 20 20 GLY C C 13 173.7 . . . . . . . . 812 GLY C . 53838 1 67 . 1 . 1 20 20 GLY CA C 13 45.06 . . . . . . . . 812 GLY CA . 53838 1 68 . 1 . 1 20 20 GLY N N 15 111.2 . . . . . . . . 812 GLY N . 53838 1 69 . 1 . 1 21 21 ALA C C 13 177.6 . . . . . . . . 813 ALA C . 53838 1 70 . 1 . 1 21 21 ALA CA C 13 52.31 . . . . . . . . 813 ALA CA . 53838 1 71 . 1 . 1 21 21 ALA CB C 13 19.14 . . . . . . . . 813 ALA CB . 53838 1 72 . 1 . 1 21 21 ALA N N 15 123.5 . . . . . . . . 813 ALA N . 53838 1 73 . 1 . 1 22 22 GLN C C 13 175.8 . . . . . . . . 814 GLN C . 53838 1 74 . 1 . 1 22 22 GLN CA C 13 55.54 . . . . . . . . 814 GLN CA . 53838 1 75 . 1 . 1 22 22 GLN CB C 13 29.31 . . . . . . . . 814 GLN CB . 53838 1 76 . 1 . 1 22 22 GLN CG C 13 33.63 . . . . . . . . 814 GLN CG . 53838 1 77 . 1 . 1 22 22 GLN N N 15 119.1 . . . . . . . . 814 GLN N . 53838 1 78 . 1 . 1 23 23 THR C C 13 172.8 . . . . . . . . 815 THR C . 53838 1 79 . 1 . 1 23 23 THR CA C 13 59.71 . . . . . . . . 815 THR CA . 53838 1 80 . 1 . 1 23 23 THR CB C 13 69.6 . . . . . . . . 815 THR CB . 53838 1 81 . 1 . 1 23 23 THR CG2 C 13 21.4 . . . . . . . . 815 THR CG . 53838 1 82 . 1 . 1 23 23 THR N N 15 117.9 . . . . . . . . 815 THR N . 53838 1 83 . 1 . 1 24 24 PRO C C 13 176.7 . . . . . . . . 816 PRO C . 53838 1 84 . 1 . 1 24 24 PRO CA C 13 63.11 . . . . . . . . 816 PRO CA . 53838 1 85 . 1 . 1 24 24 PRO CB C 13 31.96 . . . . . . . . 816 PRO CB . 53838 1 86 . 1 . 1 24 24 PRO CG C 13 27.15 . . . . . . . . 816 PRO CG . 53838 1 87 . 1 . 1 24 24 PRO CD C 13 50.8 . . . . . . . . 816 PRO CD . 53838 1 88 . 1 . 1 24 24 PRO N N 15 138.7 . . . . . . . . 816 PRO N . 53838 1 89 . 1 . 1 25 25 SER C C 13 174.2 . . . . . . . . 817 SER C . 53838 1 90 . 1 . 1 25 25 SER CA C 13 58.08 . . . . . . . . 817 SER CA . 53838 1 91 . 1 . 1 25 25 SER CB C 13 64.33 . . . . . . . . 817 SER CB . 53838 1 92 . 1 . 1 25 25 SER N N 15 115.6 . . . . . . . . 817 SER N . 53838 1 93 . 1 . 1 26 26 TYR C C 13 175.8 . . . . . . . . 818 TYR C . 53838 1 94 . 1 . 1 26 26 TYR CA C 13 57.81 . . . . . . . . 818 TYR CA . 53838 1 95 . 1 . 1 26 26 TYR CB C 13 38.7 . . . . . . . . 818 TYR CB . 53838 1 96 . 1 . 1 26 26 TYR N N 15 122.1 . . . . . . . . 818 TYR N . 53838 1 97 . 1 . 1 27 27 THR C C 13 173.9 . . . . . . . . 819 THR C . 53838 1 98 . 1 . 1 27 27 THR CA C 13 61.32 . . . . . . . . 819 THR CA . 53838 1 99 . 1 . 1 27 27 THR CB C 13 69.91 . . . . . . . . 819 THR CB . 53838 1 100 . 1 . 1 27 27 THR CG2 C 13 21.34 . . . . . . . . 819 THR CG . 53838 1 101 . 1 . 1 27 27 THR N N 15 116.1 . . . . . . . . 819 THR N . 53838 1 102 . 1 . 1 28 28 ALA C C 13 177.5 . . . . . . . . 820 ALA C . 53838 1 103 . 1 . 1 28 28 ALA CA C 13 53.18 . . . . . . . . 820 ALA CA . 53838 1 104 . 1 . 1 28 28 ALA CB C 13 18.93 . . . . . . . . 820 ALA CB . 53838 1 105 . 1 . 1 28 28 ALA N N 15 126.6 . . . . . . . . 820 ALA N . 53838 1 106 . 1 . 1 29 29 ALA C C 13 178.3 . . . . . . . . 821 ALA C . 53838 1 107 . 1 . 1 29 29 ALA CA C 13 53.41 . . . . . . . . 821 ALA CA . 53838 1 108 . 1 . 1 29 29 ALA CB C 13 18.91 . . . . . . . . 821 ALA CB . 53838 1 109 . 1 . 1 29 29 ALA N N 15 123.2 . . . . . . . . 821 ALA N . 53838 1 110 . 1 . 1 30 30 GLY C C 13 174.2 . . . . . . . . 822 GLY C . 53838 1 111 . 1 . 1 30 30 GLY CA C 13 45.14 . . . . . . . . 822 GLY CA . 53838 1 112 . 1 . 1 30 30 GLY N N 15 108 . . . . . . . . 822 GLY N . 53838 1 113 . 1 . 1 31 31 SER C C 13 174.5 . . . . . . . . 823 SER C . 53838 1 114 . 1 . 1 31 31 SER CA C 13 58.11 . . . . . . . . 823 SER CA . 53838 1 115 . 1 . 1 31 31 SER CB C 13 64.46 . . . . . . . . 823 SER CB . 53838 1 116 . 1 . 1 31 31 SER N N 15 115.3 . . . . . . . . 823 SER N . 53838 1 117 . 1 . 1 32 32 LYS C C 13 176.4 . . . . . . . . 824 LYS C . 53838 1 118 . 1 . 1 32 32 LYS CA C 13 56.02 . . . . . . . . 824 LYS CA . 53838 1 119 . 1 . 1 32 32 LYS CB C 13 32.9 . . . . . . . . 824 LYS CB . 53838 1 120 . 1 . 1 32 32 LYS CG C 13 24.57 . . . . . . . . 824 LYS CG . 53838 1 121 . 1 . 1 32 32 LYS CD C 13 29.29 . . . . . . . . 824 LYS CD . 53838 1 122 . 1 . 1 32 32 LYS N N 15 123 . . . . . . . . 824 LYS N . 53838 1 123 . 1 . 1 33 33 THR C C 13 172.7 . . . . . . . . 825 THR C . 53838 1 124 . 1 . 1 33 33 THR CA C 13 59.66 . . . . . . . . 825 THR CA . 53838 1 125 . 1 . 1 33 33 THR CB C 13 69.76 . . . . . . . . 825 THR CB . 53838 1 126 . 1 . 1 33 33 THR CG2 C 13 21.4 . . . . . . . . 825 THR CG . 53838 1 127 . 1 . 1 33 33 THR N N 15 117.7 . . . . . . . . 825 THR N . 53838 1 128 . 1 . 1 34 34 PRO C C 13 176.6 . . . . . . . . 826 PRO C . 53838 1 129 . 1 . 1 34 34 PRO CA C 13 62.95 . . . . . . . . 826 PRO CA . 53838 1 130 . 1 . 1 34 34 PRO CB C 13 32.01 . . . . . . . . 826 PRO CB . 53838 1 131 . 1 . 1 34 34 PRO CG C 13 27.13 . . . . . . . . 826 PRO CG . 53838 1 132 . 1 . 1 34 34 PRO CD C 13 50.81 . . . . . . . . 826 PRO CD . 53838 1 133 . 1 . 1 34 34 PRO N N 15 138.5 . . . . . . . . 826 PRO N . 53838 1 134 . 1 . 1 35 35 LEU C C 13 177.4 . . . . . . . . 827 LEU C . 53838 1 135 . 1 . 1 35 35 LEU CA C 13 55.05 . . . . . . . . 827 LEU CA . 53838 1 136 . 1 . 1 35 35 LEU CB C 13 42.11 . . . . . . . . 827 LEU CB . 53838 1 137 . 1 . 1 35 35 LEU CG C 13 26.68 . . . . . . . . 827 LEU CG . 53838 1 138 . 1 . 1 35 35 LEU CD1 C 13 23.01 . . . . . . . . 827 LEU CD1 . 53838 1 139 . 1 . 1 35 35 LEU CD2 C 13 24.58 . . . . . . . . 827 LEU CD2 . 53838 1 140 . 1 . 1 35 35 LEU N N 15 122.6 . . . . . . . . 827 LEU N . 53838 1 141 . 1 . 1 36 36 VAL C C 13 176.5 . . . . . . . . 828 VAL C . 53838 1 142 . 1 . 1 36 36 VAL CA C 13 62.19 . . . . . . . . 828 VAL CA . 53838 1 143 . 1 . 1 36 36 VAL CB C 13 32.58 . . . . . . . . 828 VAL CB . 53838 1 144 . 1 . 1 36 36 VAL CG1 C 13 20.62 . . . . . . . . 828 VAL CG1 . 53838 1 145 . 1 . 1 36 36 VAL CG2 C 13 20.62 . . . . . . . . 828 VAL CG2 . 53838 1 146 . 1 . 1 36 36 VAL N N 15 121.1 . . . . . . . . 828 VAL N . 53838 1 147 . 1 . 1 37 37 GLY C C 13 174.1 . . . . . . . . 829 GLY C . 53838 1 148 . 1 . 1 37 37 GLY CA C 13 45.07 . . . . . . . . 829 GLY CA . 53838 1 149 . 1 . 1 37 37 GLY N N 15 112.6 . . . . . . . . 829 GLY N . 53838 1 150 . 1 . 1 38 38 SER C C 13 174.5 . . . . . . . . 830 SER C . 53838 1 151 . 1 . 1 38 38 SER CA C 13 58.06 . . . . . . . . 830 SER CA . 53838 1 152 . 1 . 1 38 38 SER CB C 13 64.38 . . . . . . . . 830 SER CB . 53838 1 153 . 1 . 1 38 38 SER N N 15 115.4 . . . . . . . . 830 SER N . 53838 1 154 . 1 . 1 39 39 GLN C C 13 175.7 . . . . . . . . 831 GLN C . 53838 1 155 . 1 . 1 39 39 GLN CA C 13 55.57 . . . . . . . . 831 GLN CA . 53838 1 156 . 1 . 1 39 39 GLN CB C 13 29.32 . . . . . . . . 831 GLN CB . 53838 1 157 . 1 . 1 39 39 GLN CG C 13 33.68 . . . . . . . . 831 GLN CG . 53838 1 158 . 1 . 1 39 39 GLN N N 15 121.7 . . . . . . . . 831 GLN N . 53838 1 159 . 1 . 1 40 40 THR C C 13 172.7 . . . . . . . . 832 THR C . 53838 1 160 . 1 . 1 40 40 THR CA C 13 59.7 . . . . . . . . 832 THR CA . 53838 1 161 . 1 . 1 40 40 THR CB C 13 69.47 . . . . . . . . 832 THR CB . 53838 1 162 . 1 . 1 40 40 THR CG2 C 13 21.37 . . . . . . . . 832 THR CG . 53838 1 163 . 1 . 1 40 40 THR N N 15 117.6 . . . . . . . . 832 THR N . 53838 1 164 . 1 . 1 41 41 PRO C C 13 176.3 . . . . . . . . 833 PRO C . 53838 1 165 . 1 . 1 41 41 PRO CA C 13 63.03 . . . . . . . . 833 PRO CA . 53838 1 166 . 1 . 1 41 41 PRO CB C 13 31.7 . . . . . . . . 833 PRO CB . 53838 1 167 . 1 . 1 41 41 PRO CG C 13 27.12 . . . . . . . . 833 PRO CG . 53838 1 168 . 1 . 1 41 41 PRO CD C 13 50.69 . . . . . . . . 833 PRO CD . 53838 1 169 . 1 . 1 41 41 PRO N N 15 138.3 . . . . . . . . 833 PRO N . 53838 1 170 . 1 . 1 42 42 ASN C C 13 174.9 . . . . . . . . 834 ASN C . 53838 1 171 . 1 . 1 42 42 ASN CA C 13 52.89 . . . . . . . . 834 ASN CA . 53838 1 172 . 1 . 1 42 42 ASN CB C 13 38.55 . . . . . . . . 834 ASN CB . 53838 1 173 . 1 . 1 42 42 ASN N N 15 118.5 . . . . . . . . 834 ASN N . 53838 1 174 . 1 . 1 43 43 TRP C C 13 175.8 . . . . . . . . 835 TRP C . 53838 1 175 . 1 . 1 43 43 TRP CA C 13 57.03 . . . . . . . . 835 TRP CA . 53838 1 176 . 1 . 1 43 43 TRP CB C 13 29.34 . . . . . . . . 835 TRP CB . 53838 1 177 . 1 . 1 43 43 TRP N N 15 121 . . . . . . . . 835 TRP N . 53838 1 178 . 1 . 1 44 44 ASP C C 13 176.4 . . . . . . . . 836 ASP C . 53838 1 179 . 1 . 1 44 44 ASP CA C 13 54.15 . . . . . . . . 836 ASP CA . 53838 1 180 . 1 . 1 44 44 ASP CB C 13 40.83 . . . . . . . . 836 ASP CB . 53838 1 181 . 1 . 1 44 44 ASP N N 15 121.2 . . . . . . . . 836 ASP N . 53838 1 182 . 1 . 1 45 45 THR C C 13 174.4 . . . . . . . . 837 THR C . 53838 1 183 . 1 . 1 45 45 THR CA C 13 61.95 . . . . . . . . 837 THR CA . 53838 1 184 . 1 . 1 45 45 THR CB C 13 69.69 . . . . . . . . 837 THR CB . 53838 1 185 . 1 . 1 45 45 THR CG2 C 13 21.44 . . . . . . . . 837 THR CG . 53838 1 186 . 1 . 1 45 45 THR N N 15 113.5 . . . . . . . . 837 THR N . 53838 1 187 . 1 . 1 46 46 ASP C C 13 176.6 . . . . . . . . 838 ASP C . 53838 1 188 . 1 . 1 46 46 ASP CA C 13 54.45 . . . . . . . . 838 ASP CA . 53838 1 189 . 1 . 1 46 46 ASP CB C 13 41.05 . . . . . . . . 838 ASP CB . 53838 1 190 . 1 . 1 46 46 ASP N N 15 122.6 . . . . . . . . 838 ASP N . 53838 1 191 . 1 . 1 47 47 THR C C 13 174.6 . . . . . . . . 839 THR C . 53838 1 192 . 1 . 1 47 47 THR CA C 13 61.9 . . . . . . . . 839 THR CA . 53838 1 193 . 1 . 1 47 47 THR CB C 13 69.3 . . . . . . . . 839 THR CB . 53838 1 194 . 1 . 1 47 47 THR CG2 C 13 21.52 . . . . . . . . 839 THR CG . 53838 1 195 . 1 . 1 47 47 THR N N 15 114.2 . . . . . . . . 839 THR N . 53838 1 196 . 1 . 1 48 48 ARG C C 13 176.2 . . . . . . . . 840 ARG C . 53838 1 197 . 1 . 1 48 48 ARG CA C 13 56 . . . . . . . . 840 ARG CA . 53838 1 198 . 1 . 1 48 48 ARG CB C 13 30.48 . . . . . . . . 840 ARG CB . 53838 1 199 . 1 . 1 48 48 ARG CG C 13 26.73 . . . . . . . . 840 ARG CG . 53838 1 200 . 1 . 1 48 48 ARG CD C 13 43.1 . . . . . . . . 840 ARG CD . 53838 1 201 . 1 . 1 48 48 ARG N N 15 122.9 . . . . . . . . 840 ARG N . 53838 1 202 . 1 . 1 49 49 THR C C 13 173 . . . . . . . . 841 THR C . 53838 1 203 . 1 . 1 49 49 THR CA C 13 59.47 . . . . . . . . 841 THR CA . 53838 1 204 . 1 . 1 49 49 THR CB C 13 69.51 . . . . . . . . 841 THR CB . 53838 1 205 . 1 . 1 49 49 THR CG2 C 13 21.36 . . . . . . . . 841 THR CG . 53838 1 206 . 1 . 1 49 49 THR N N 15 116.6 . . . . . . . . 841 THR N . 53838 1 207 . 1 . 1 50 50 PRO C C 13 176.6 . . . . . . . . 842 PRO C . 53838 1 208 . 1 . 1 50 50 PRO CA C 13 63.19 . . . . . . . . 842 PRO CA . 53838 1 209 . 1 . 1 50 50 PRO CB C 13 31.68 . . . . . . . . 842 PRO CB . 53838 1 210 . 1 . 1 50 50 PRO CG C 13 27 . . . . . . . . 842 PRO CG . 53838 1 211 . 1 . 1 50 50 PRO CD C 13 50.68 . . . . . . . . 842 PRO CD . 53838 1 212 . 1 . 1 50 50 PRO N N 15 137.7 . . . . . . . . 842 PRO N . 53838 1 213 . 1 . 1 51 51 TYR C C 13 176.4 . . . . . . . . 843 TYR C . 53838 1 214 . 1 . 1 51 51 TYR CA C 13 57.81 . . . . . . . . 843 TYR CA . 53838 1 215 . 1 . 1 51 51 TYR CB C 13 38.54 . . . . . . . . 843 TYR CB . 53838 1 216 . 1 . 1 51 51 TYR N N 15 119.7 . . . . . . . . 843 TYR N . 53838 1 217 . 1 . 1 52 52 GLY C C 13 174.1 . . . . . . . . 844 GLY C . 53838 1 218 . 1 . 1 52 52 GLY CA C 13 45.24 . . . . . . . . 844 GLY CA . 53838 1 219 . 1 . 1 52 52 GLY N N 15 110.4 . . . . . . . . 844 GLY N . 53838 1 220 . 1 . 1 53 53 THR C C 13 174.4 . . . . . . . . 845 THR C . 53838 1 221 . 1 . 1 53 53 THR CA C 13 61.92 . . . . . . . . 845 THR CA . 53838 1 222 . 1 . 1 53 53 THR CB C 13 69.56 . . . . . . . . 845 THR CB . 53838 1 223 . 1 . 1 53 53 THR CG2 C 13 21.45 . . . . . . . . 845 THR CG . 53838 1 224 . 1 . 1 53 53 THR N N 15 113.6 . . . . . . . . 845 THR N . 53838 1 225 . 1 . 1 54 54 MET C C 13 175.8 . . . . . . . . 846 MET C . 53838 1 226 . 1 . 1 54 54 MET CA C 13 55.38 . . . . . . . . 846 MET CA . 53838 1 227 . 1 . 1 54 54 MET CB C 13 31.88 . . . . . . . . 846 MET CB . 53838 1 228 . 1 . 1 54 54 MET N N 15 122.6 . . . . . . . . 846 MET N . 53838 1 229 . 1 . 1 55 55 THR C C 13 172.7 . . . . . . . . 847 THR C . 53838 1 230 . 1 . 1 55 55 THR CA C 13 59.71 . . . . . . . . 847 THR CA . 53838 1 231 . 1 . 1 55 55 THR CB C 13 70.15 . . . . . . . . 847 THR CB . 53838 1 232 . 1 . 1 55 55 THR CG2 C 13 21.36 . . . . . . . . 847 THR CG . 53838 1 233 . 1 . 1 55 55 THR N N 15 118.1 . . . . . . . . 847 THR N . 53838 1 234 . 1 . 1 56 56 PRO C C 13 176.8 . . . . . . . . 848 PRO C . 53838 1 235 . 1 . 1 56 56 PRO CA C 13 63.1 . . . . . . . . 848 PRO CA . 53838 1 236 . 1 . 1 56 56 PRO CB C 13 31.99 . . . . . . . . 848 PRO CB . 53838 1 237 . 1 . 1 56 56 PRO CG C 13 27.16 . . . . . . . . 848 PRO CG . 53838 1 238 . 1 . 1 56 56 PRO CD C 13 50.82 . . . . . . . . 848 PRO CD . 53838 1 239 . 1 . 1 56 56 PRO N N 15 138.6 . . . . . . . . 848 PRO N . 53838 1 240 . 1 . 1 57 57 SER C C 13 174.6 . . . . . . . . 849 SER C . 53838 1 241 . 1 . 1 57 57 SER CA C 13 58.71 . . . . . . . . 849 SER CA . 53838 1 242 . 1 . 1 57 57 SER CB C 13 64.27 . . . . . . . . 849 SER CB . 53838 1 243 . 1 . 1 57 57 SER N N 15 115.7 . . . . . . . . 849 SER N . 53838 1 244 . 1 . 1 58 58 HIS C C 13 175.2 . . . . . . . . 850 HIS C . 53838 1 245 . 1 . 1 58 58 HIS CA C 13 57.85 . . . . . . . . 850 HIS CA . 53838 1 246 . 1 . 1 58 58 HIS CB C 13 30.84 . . . . . . . . 850 HIS CB . 53838 1 247 . 1 . 1 58 58 HIS N N 15 121.5 . . . . . . . . 850 HIS N . 53838 1 248 . 1 . 1 59 59 ASP C C 13 176.8 . . . . . . . . 851 ASP C . 53838 1 249 . 1 . 1 59 59 ASP CA C 13 53.98 . . . . . . . . 851 ASP CA . 53838 1 250 . 1 . 1 59 59 ASP CB C 13 40.93 . . . . . . . . 851 ASP CB . 53838 1 251 . 1 . 1 59 59 ASP N N 15 121.2 . . . . . . . . 851 ASP N . 53838 1 252 . 1 . 1 60 60 GLY C C 13 174.6 . . . . . . . . 852 GLY C . 53838 1 253 . 1 . 1 60 60 GLY CA C 13 45.43 . . . . . . . . 852 GLY CA . 53838 1 254 . 1 . 1 60 60 GLY N N 15 109.8 . . . . . . . . 852 GLY N . 53838 1 255 . 1 . 1 61 61 SER C C 13 174.6 . . . . . . . . 853 SER C . 53838 1 256 . 1 . 1 61 61 SER CA C 13 58.51 . . . . . . . . 853 SER CA . 53838 1 257 . 1 . 1 61 61 SER CB C 13 64.36 . . . . . . . . 853 SER CB . 53838 1 258 . 1 . 1 61 61 SER N N 15 115.8 . . . . . . . . 853 SER N . 53838 1 259 . 1 . 1 62 62 MET C C 13 176 . . . . . . . . 854 MET C . 53838 1 260 . 1 . 1 62 62 MET CA C 13 55.18 . . . . . . . . 854 MET CA . 53838 1 261 . 1 . 1 62 62 MET CB C 13 31.83 . . . . . . . . 854 MET CB . 53838 1 262 . 1 . 1 62 62 MET N N 15 121.4 . . . . . . . . 854 MET N . 53838 1 263 . 1 . 1 63 63 THR C C 13 172.6 . . . . . . . . 855 THR C . 53838 1 264 . 1 . 1 63 63 THR CA C 13 59.88 . . . . . . . . 855 THR CA . 53838 1 265 . 1 . 1 63 63 THR CB C 13 70.03 . . . . . . . . 855 THR CB . 53838 1 266 . 1 . 1 63 63 THR CG2 C 13 21.31 . . . . . . . . 855 THR CG . 53838 1 267 . 1 . 1 63 63 THR N N 15 117.9 . . . . . . . . 855 THR N . 53838 1 268 . 1 . 1 64 64 PRO C C 13 176.7 . . . . . . . . 856 PRO C . 53838 1 269 . 1 . 1 64 64 PRO CA C 13 63.04 . . . . . . . . 856 PRO CA . 53838 1 270 . 1 . 1 64 64 PRO CB C 13 32.01 . . . . . . . . 856 PRO CB . 53838 1 271 . 1 . 1 64 64 PRO CG C 13 27.19 . . . . . . . . 856 PRO CG . 53838 1 272 . 1 . 1 64 64 PRO CD C 13 50.79 . . . . . . . . 856 PRO CD . 53838 1 273 . 1 . 1 64 64 PRO N N 15 138.7 . . . . . . . . 856 PRO N . 53838 1 274 . 1 . 1 65 65 ARG C C 13 176 . . . . . . . . 857 ARG C . 53838 1 275 . 1 . 1 65 65 ARG CA C 13 55.8 . . . . . . . . 857 ARG CA . 53838 1 276 . 1 . 1 65 65 ARG CB C 13 30.63 . . . . . . . . 857 ARG CB . 53838 1 277 . 1 . 1 65 65 ARG CG C 13 26.61 . . . . . . . . 857 ARG CG . 53838 1 278 . 1 . 1 65 65 ARG CD C 13 43.08 . . . . . . . . 857 ARG CD . 53838 1 279 . 1 . 1 65 65 ARG N N 15 121.3 . . . . . . . . 857 ARG N . 53838 1 280 . 1 . 1 66 66 HIS C C 13 175.9 . . . . . . . . 858 HIS C . 53838 1 281 . 1 . 1 66 66 HIS CB C 13 30.86 . . . . . . . . 858 HIS CB . 53838 1 282 . 1 . 1 66 66 HIS N N 15 120.5 . . . . . . . . 858 HIS N . 53838 1 283 . 1 . 1 67 67 GLY C C 13 173.6 . . . . . . . . 859 GLY C . 53838 1 284 . 1 . 1 67 67 GLY CA C 13 45.07 . . . . . . . . 859 GLY CA . 53838 1 285 . 1 . 1 67 67 GLY N N 15 110.3 . . . . . . . . 859 GLY N . 53838 1 286 . 1 . 1 68 68 ALA C C 13 177.1 . . . . . . . . 860 ALA C . 53838 1 287 . 1 . 1 68 68 ALA CB C 13 19.04 . . . . . . . . 860 ALA CB . 53838 1 288 . 1 . 1 68 68 ALA N N 15 123.6 . . . . . . . . 860 ALA N . 53838 1 289 . 1 . 1 69 69 TRP C C 13 175 . . . . . . . . 861 TRP C . 53838 1 290 . 1 . 1 69 69 TRP CA C 13 57.14 . . . . . . . . 861 TRP CA . 53838 1 291 . 1 . 1 69 69 TRP CB C 13 29.4 . . . . . . . . 861 TRP CB . 53838 1 292 . 1 . 1 69 69 TRP N N 15 120.6 . . . . . . . . 861 TRP N . 53838 1 293 . 1 . 1 70 70 ASP C C 13 174.6 . . . . . . . . 862 ASP C . 53838 1 294 . 1 . 1 70 70 ASP CA C 13 50.84 . . . . . . . . 862 ASP CA . 53838 1 295 . 1 . 1 70 70 ASP CB C 13 41.46 . . . . . . . . 862 ASP CB . 53838 1 296 . 1 . 1 70 70 ASP N N 15 124.2 . . . . . . . . 862 ASP N . 53838 1 297 . 1 . 1 71 71 PRO C C 13 177.5 . . . . . . . . 863 PRO C . 53838 1 298 . 1 . 1 71 71 PRO CA C 13 63.55 . . . . . . . . 863 PRO CA . 53838 1 299 . 1 . 1 71 71 PRO CB C 13 32.03 . . . . . . . . 863 PRO CB . 53838 1 300 . 1 . 1 71 71 PRO CG C 13 26.62 . . . . . . . . 863 PRO CG . 53838 1 301 . 1 . 1 71 71 PRO CD C 13 50.4 . . . . . . . . 863 PRO CD . 53838 1 302 . 1 . 1 71 71 PRO N N 15 136.4 . . . . . . . . 863 PRO N . 53838 1 303 . 1 . 1 72 72 THR C C 13 174.8 . . . . . . . . 864 THR C . 53838 1 304 . 1 . 1 72 72 THR CA C 13 62.19 . . . . . . . . 864 THR CA . 53838 1 305 . 1 . 1 72 72 THR CB C 13 69.26 . . . . . . . . 864 THR CB . 53838 1 306 . 1 . 1 72 72 THR CG2 C 13 21.59 . . . . . . . . 864 THR CG . 53838 1 307 . 1 . 1 72 72 THR N N 15 111.3 . . . . . . . . 864 THR N . 53838 1 308 . 1 . 1 73 73 ALA C C 13 177.3 . . . . . . . . 865 ALA C . 53838 1 309 . 1 . 1 73 73 ALA CA C 13 52.58 . . . . . . . . 865 ALA CA . 53838 1 310 . 1 . 1 73 73 ALA CB C 13 19.04 . . . . . . . . 865 ALA CB . 53838 1 311 . 1 . 1 73 73 ALA N N 15 125.1 . . . . . . . . 865 ALA N . 53838 1 312 . 1 . 1 74 74 ASN C C 13 175.3 . . . . . . . . 866 ASN C . 53838 1 313 . 1 . 1 74 74 ASN CA C 13 53.14 . . . . . . . . 866 ASN CA . 53838 1 314 . 1 . 1 74 74 ASN CB C 13 38.75 . . . . . . . . 866 ASN CB . 53838 1 315 . 1 . 1 74 74 ASN N N 15 117.5 . . . . . . . . 866 ASN N . 53838 1 316 . 1 . 1 75 75 THR C C 13 174.4 . . . . . . . . 867 THR C . 53838 1 317 . 1 . 1 75 75 THR CA C 13 61.53 . . . . . . . . 867 THR CA . 53838 1 318 . 1 . 1 75 75 THR CB C 13 68.97 . . . . . . . . 867 THR CB . 53838 1 319 . 1 . 1 75 75 THR CG2 C 13 21.44 . . . . . . . . 867 THR CG . 53838 1 320 . 1 . 1 75 75 THR N N 15 113.5 . . . . . . . . 867 THR N . 53838 1 321 . 1 . 1 76 76 THR C C 13 172.6 . . . . . . . . 868 THR C . 53838 1 322 . 1 . 1 76 76 THR CA C 13 59.84 . . . . . . . . 868 THR CA . 53838 1 323 . 1 . 1 76 76 THR CB C 13 69.96 . . . . . . . . 868 THR CB . 53838 1 324 . 1 . 1 76 76 THR CG2 C 13 21.24 . . . . . . . . 868 THR CG . 53838 1 325 . 1 . 1 76 76 THR N N 15 118.8 . . . . . . . . 868 THR N . 53838 1 326 . 1 . 1 77 77 PRO C C 13 176.5 . . . . . . . . 869 PRO C . 53838 1 327 . 1 . 1 77 77 PRO CA C 13 63 . . . . . . . . 869 PRO CA . 53838 1 328 . 1 . 1 77 77 PRO CB C 13 31.95 . . . . . . . . 869 PRO CB . 53838 1 329 . 1 . 1 77 77 PRO CG C 13 27.12 . . . . . . . . 869 PRO CG . 53838 1 330 . 1 . 1 77 77 PRO CD C 13 50.83 . . . . . . . . 869 PRO CD . 53838 1 331 . 1 . 1 77 77 PRO N N 15 139 . . . . . . . . 869 PRO N . 53838 1 332 . 1 . 1 78 78 ALA C C 13 177.6 . . . . . . . . 870 ALA C . 53838 1 333 . 1 . 1 78 78 ALA CA C 13 51.61 . . . . . . . . 870 ALA CA . 53838 1 334 . 1 . 1 78 78 ALA CB C 13 18.98 . . . . . . . . 870 ALA CB . 53838 1 335 . 1 . 1 78 78 ALA N N 15 124.3 . . . . . . . . 870 ALA N . 53838 1 336 . 1 . 1 79 79 ARG C C 13 175.9 . . . . . . . . 871 ARG C . 53838 1 337 . 1 . 1 79 79 ARG CA C 13 55.6 . . . . . . . . 871 ARG CA . 53838 1 338 . 1 . 1 79 79 ARG CB C 13 30.79 . . . . . . . . 871 ARG CB . 53838 1 339 . 1 . 1 79 79 ARG CG C 13 26.71 . . . . . . . . 871 ARG CG . 53838 1 340 . 1 . 1 79 79 ARG CD C 13 43.09 . . . . . . . . 871 ARG CD . 53838 1 341 . 1 . 1 79 79 ARG N N 15 120.1 . . . . . . . . 871 ARG N . 53838 1 342 . 1 . 1 80 80 ASN C C 13 174.9 . . . . . . . . 872 ASN C . 53838 1 343 . 1 . 1 80 80 ASN CA C 13 53.1 . . . . . . . . 872 ASN CA . 53838 1 344 . 1 . 1 80 80 ASN CB C 13 38.79 . . . . . . . . 872 ASN CB . 53838 1 345 . 1 . 1 80 80 ASN N N 15 119.9 . . . . . . . . 872 ASN N . 53838 1 346 . 1 . 1 81 81 ASN C C 13 174.8 . . . . . . . . 873 ASN C . 53838 1 347 . 1 . 1 81 81 ASN CA C 13 53.18 . . . . . . . . 873 ASN CA . 53838 1 348 . 1 . 1 81 81 ASN CB C 13 38.77 . . . . . . . . 873 ASN CB . 53838 1 349 . 1 . 1 81 81 ASN N N 15 119.1 . . . . . . . . 873 ASN N . 53838 1 350 . 1 . 1 82 82 ASP C C 13 175.8 . . . . . . . . 874 ASP C . 53838 1 351 . 1 . 1 82 82 ASP CA C 13 54.53 . . . . . . . . 874 ASP CA . 53838 1 352 . 1 . 1 82 82 ASP CB C 13 40.8 . . . . . . . . 874 ASP CB . 53838 1 353 . 1 . 1 82 82 ASP N N 15 120 . . . . . . . . 874 ASP N . 53838 1 354 . 1 . 1 83 83 PHE C C 13 175 . . . . . . . . 875 PHE C . 53838 1 355 . 1 . 1 83 83 PHE CA C 13 57.49 . . . . . . . . 875 PHE CA . 53838 1 356 . 1 . 1 83 83 PHE CB C 13 39.48 . . . . . . . . 875 PHE CB . 53838 1 357 . 1 . 1 83 83 PHE N N 15 119.5 . . . . . . . . 875 PHE N . 53838 1 358 . 1 . 1 84 84 ASP C C 13 175.7 . . . . . . . . 876 ASP C . 53838 1 359 . 1 . 1 84 84 ASP CA C 13 53.74 . . . . . . . . 876 ASP CA . 53838 1 360 . 1 . 1 84 84 ASP CB C 13 40.87 . . . . . . . . 876 ASP CB . 53838 1 361 . 1 . 1 84 84 ASP N N 15 121.7 . . . . . . . . 876 ASP N . 53838 1 362 . 1 . 1 85 85 TYR C C 13 175.8 . . . . . . . . 877 TYR C . 53838 1 363 . 1 . 1 85 85 TYR CA C 13 57.94 . . . . . . . . 877 TYR CA . 53838 1 364 . 1 . 1 85 85 TYR CB C 13 38.34 . . . . . . . . 877 TYR CB . 53838 1 365 . 1 . 1 85 85 TYR N N 15 121.2 . . . . . . . . 877 TYR N . 53838 1 366 . 1 . 1 86 86 SER C C 13 174.2 . . . . . . . . 878 SER C . 53838 1 367 . 1 . 1 86 86 SER CA C 13 58.45 . . . . . . . . 878 SER CA . 53838 1 368 . 1 . 1 86 86 SER CB C 13 64.27 . . . . . . . . 878 SER CB . 53838 1 369 . 1 . 1 86 86 SER N N 15 117.2 . . . . . . . . 878 SER N . 53838 1 370 . 1 . 1 87 87 LEU C C 13 177.1 . . . . . . . . 879 LEU C . 53838 1 371 . 1 . 1 87 87 LEU CA C 13 54.99 . . . . . . . . 879 LEU CA . 53838 1 372 . 1 . 1 87 87 LEU CB C 13 42.27 . . . . . . . . 879 LEU CB . 53838 1 373 . 1 . 1 87 87 LEU CG C 13 26.62 . . . . . . . . 879 LEU CG . 53838 1 374 . 1 . 1 87 87 LEU CD1 C 13 22.95 . . . . . . . . 879 LEU CD1 . 53838 1 375 . 1 . 1 87 87 LEU CD2 C 13 24.59 . . . . . . . . 879 LEU CD2 . 53838 1 376 . 1 . 1 87 87 LEU N N 15 123.7 . . . . . . . . 879 LEU N . 53838 1 377 . 1 . 1 88 88 GLU C C 13 175.4 . . . . . . . . 880 GLU C . 53838 1 378 . 1 . 1 88 88 GLU CA C 13 56.22 . . . . . . . . 880 GLU CA . 53838 1 379 . 1 . 1 88 88 GLU CB C 13 30.29 . . . . . . . . 880 GLU CB . 53838 1 380 . 1 . 1 88 88 GLU CG C 13 36.1 . . . . . . . . 880 GLU CG . 53838 1 381 . 1 . 1 88 88 GLU N N 15 121.7 . . . . . . . . 880 GLU N . 53838 1 stop_ save_