data_52597 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52597 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for WT transthyretin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-09-05 _Entry.Accession_date 2024-09-05 _Entry.Last_release_date 2024-09-05 _Entry.Original_release_date 2024-09-05 _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 1 _Entry.Generated_software_label $software_1 _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 Yu-Chen Feng . . . 0009-0004-0826-2686 52597 2 Tsyr-Yan Yu . . . 0000-0001-7051-4769 52597 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52597 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 114 52597 '15N chemical shifts' 113 52597 '1H chemical shifts' 113 52597 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 . . 2024-09-09 . original BMRB . 52597 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52598 'A97S transthyretin' 52597 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52597 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for WT transthyretin ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 . _Citation.Page_last . _Citation.Year . _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 Yu-Chen Feng . . . . 52597 1 2 Tsyr-Yan Yu . . . . 52597 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52597 _Assembly.ID 1 _Assembly.Name 'WT TTR' _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 'WT TTR' 1 $entity_1 . . yes native no no . . . 52597 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52597 _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 ; GPTGTGESKCPLMVKVLDAV RGSPAINVAVHVFRKAADDT WEPFASGKTSESGELHGLTT EEEFVEGIYKVEIDTKSYWK ALGISPFHEHAEVVFTANDS GPRRYTIAALLSPYSYSTTA VVTNPKE ; _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 127 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . 52597 1 2 . PRO . 52597 1 3 . THR . 52597 1 4 . GLY . 52597 1 5 . THR . 52597 1 6 . GLY . 52597 1 7 . GLU . 52597 1 8 . SER . 52597 1 9 . LYS . 52597 1 10 . CYS . 52597 1 11 . PRO . 52597 1 12 . LEU . 52597 1 13 . MET . 52597 1 14 . VAL . 52597 1 15 . LYS . 52597 1 16 . VAL . 52597 1 17 . LEU . 52597 1 18 . ASP . 52597 1 19 . ALA . 52597 1 20 . VAL . 52597 1 21 . ARG . 52597 1 22 . GLY . 52597 1 23 . SER . 52597 1 24 . PRO . 52597 1 25 . ALA . 52597 1 26 . ILE . 52597 1 27 . ASN . 52597 1 28 . VAL . 52597 1 29 . ALA . 52597 1 30 . VAL . 52597 1 31 . HIS . 52597 1 32 . VAL . 52597 1 33 . PHE . 52597 1 34 . ARG . 52597 1 35 . LYS . 52597 1 36 . ALA . 52597 1 37 . ALA . 52597 1 38 . ASP . 52597 1 39 . ASP . 52597 1 40 . THR . 52597 1 41 . TRP . 52597 1 42 . GLU . 52597 1 43 . PRO . 52597 1 44 . PHE . 52597 1 45 . ALA . 52597 1 46 . SER . 52597 1 47 . GLY . 52597 1 48 . LYS . 52597 1 49 . THR . 52597 1 50 . SER . 52597 1 51 . GLU . 52597 1 52 . SER . 52597 1 53 . GLY . 52597 1 54 . GLU . 52597 1 55 . LEU . 52597 1 56 . HIS . 52597 1 57 . GLY . 52597 1 58 . LEU . 52597 1 59 . THR . 52597 1 60 . THR . 52597 1 61 . GLU . 52597 1 62 . GLU . 52597 1 63 . GLU . 52597 1 64 . PHE . 52597 1 65 . VAL . 52597 1 66 . GLU . 52597 1 67 . GLY . 52597 1 68 . ILE . 52597 1 69 . TYR . 52597 1 70 . LYS . 52597 1 71 . VAL . 52597 1 72 . GLU . 52597 1 73 . ILE . 52597 1 74 . ASP . 52597 1 75 . THR . 52597 1 76 . LYS . 52597 1 77 . SER . 52597 1 78 . TYR . 52597 1 79 . TRP . 52597 1 80 . LYS . 52597 1 81 . ALA . 52597 1 82 . LEU . 52597 1 83 . GLY . 52597 1 84 . ILE . 52597 1 85 . SER . 52597 1 86 . PRO . 52597 1 87 . PHE . 52597 1 88 . HIS . 52597 1 89 . GLU . 52597 1 90 . HIS . 52597 1 91 . ALA . 52597 1 92 . GLU . 52597 1 93 . VAL . 52597 1 94 . VAL . 52597 1 95 . PHE . 52597 1 96 . THR . 52597 1 97 . ALA . 52597 1 98 . ASN . 52597 1 99 . ASP . 52597 1 100 . SER . 52597 1 101 . GLY . 52597 1 102 . PRO . 52597 1 103 . ARG . 52597 1 104 . ARG . 52597 1 105 . TYR . 52597 1 106 . THR . 52597 1 107 . ILE . 52597 1 108 . ALA . 52597 1 109 . ALA . 52597 1 110 . LEU . 52597 1 111 . LEU . 52597 1 112 . SER . 52597 1 113 . PRO . 52597 1 114 . TYR . 52597 1 115 . SER . 52597 1 116 . TYR . 52597 1 117 . SER . 52597 1 118 . THR . 52597 1 119 . THR . 52597 1 120 . ALA . 52597 1 121 . VAL . 52597 1 122 . VAL . 52597 1 123 . THR . 52597 1 124 . ASN . 52597 1 125 . PRO . 52597 1 126 . LYS . 52597 1 127 . GLU . 52597 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 52597 1 . PRO 2 2 52597 1 . THR 3 3 52597 1 . GLY 4 4 52597 1 . THR 5 5 52597 1 . GLY 6 6 52597 1 . GLU 7 7 52597 1 . SER 8 8 52597 1 . LYS 9 9 52597 1 . CYS 10 10 52597 1 . PRO 11 11 52597 1 . LEU 12 12 52597 1 . MET 13 13 52597 1 . VAL 14 14 52597 1 . LYS 15 15 52597 1 . VAL 16 16 52597 1 . LEU 17 17 52597 1 . ASP 18 18 52597 1 . ALA 19 19 52597 1 . VAL 20 20 52597 1 . ARG 21 21 52597 1 . GLY 22 22 52597 1 . SER 23 23 52597 1 . PRO 24 24 52597 1 . ALA 25 25 52597 1 . ILE 26 26 52597 1 . ASN 27 27 52597 1 . VAL 28 28 52597 1 . ALA 29 29 52597 1 . VAL 30 30 52597 1 . HIS 31 31 52597 1 . VAL 32 32 52597 1 . PHE 33 33 52597 1 . ARG 34 34 52597 1 . LYS 35 35 52597 1 . ALA 36 36 52597 1 . ALA 37 37 52597 1 . ASP 38 38 52597 1 . ASP 39 39 52597 1 . THR 40 40 52597 1 . TRP 41 41 52597 1 . GLU 42 42 52597 1 . PRO 43 43 52597 1 . PHE 44 44 52597 1 . ALA 45 45 52597 1 . SER 46 46 52597 1 . GLY 47 47 52597 1 . LYS 48 48 52597 1 . THR 49 49 52597 1 . SER 50 50 52597 1 . GLU 51 51 52597 1 . SER 52 52 52597 1 . GLY 53 53 52597 1 . GLU 54 54 52597 1 . LEU 55 55 52597 1 . HIS 56 56 52597 1 . GLY 57 57 52597 1 . LEU 58 58 52597 1 . THR 59 59 52597 1 . THR 60 60 52597 1 . GLU 61 61 52597 1 . GLU 62 62 52597 1 . GLU 63 63 52597 1 . PHE 64 64 52597 1 . VAL 65 65 52597 1 . GLU 66 66 52597 1 . GLY 67 67 52597 1 . ILE 68 68 52597 1 . TYR 69 69 52597 1 . LYS 70 70 52597 1 . VAL 71 71 52597 1 . GLU 72 72 52597 1 . ILE 73 73 52597 1 . ASP 74 74 52597 1 . THR 75 75 52597 1 . LYS 76 76 52597 1 . SER 77 77 52597 1 . TYR 78 78 52597 1 . TRP 79 79 52597 1 . LYS 80 80 52597 1 . ALA 81 81 52597 1 . LEU 82 82 52597 1 . GLY 83 83 52597 1 . ILE 84 84 52597 1 . SER 85 85 52597 1 . PRO 86 86 52597 1 . PHE 87 87 52597 1 . HIS 88 88 52597 1 . GLU 89 89 52597 1 . HIS 90 90 52597 1 . ALA 91 91 52597 1 . GLU 92 92 52597 1 . VAL 93 93 52597 1 . VAL 94 94 52597 1 . PHE 95 95 52597 1 . THR 96 96 52597 1 . ALA 97 97 52597 1 . ASN 98 98 52597 1 . ASP 99 99 52597 1 . SER 100 100 52597 1 . GLY 101 101 52597 1 . PRO 102 102 52597 1 . ARG 103 103 52597 1 . ARG 104 104 52597 1 . TYR 105 105 52597 1 . THR 106 106 52597 1 . ILE 107 107 52597 1 . ALA 108 108 52597 1 . ALA 109 109 52597 1 . LEU 110 110 52597 1 . LEU 111 111 52597 1 . SER 112 112 52597 1 . PRO 113 113 52597 1 . TYR 114 114 52597 1 . SER 115 115 52597 1 . TYR 116 116 52597 1 . SER 117 117 52597 1 . THR 118 118 52597 1 . THR 119 119 52597 1 . ALA 120 120 52597 1 . VAL 121 121 52597 1 . VAL 122 122 52597 1 . THR 123 123 52597 1 . ASN 124 124 52597 1 . PRO 125 125 52597 1 . LYS 126 126 52597 1 . GLU 127 127 52597 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 52597 _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 . . . . . . . . . . . . . 52597 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 52597 _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 . . pET21b . . . 52597 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52597 _Sample.ID 1 _Sample.Name 'WT TTR' _Sample.Type solution _Sample.Sub_type . _Sample.Details '1mM WT TTR [U-99% 13C; U-99% 15N]' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system 94%H2O/6%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 'WT TTR' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 52597 1 2 HEPES 'natural abundance' . . . . . . 25 . . mM . . . . 52597 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 52597 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 52597 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'WT TTR, [U-99% 13C; U-99% 15N], 1mM; HEPES 25 mM; NaCl 100 mM' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 52597 1 pressure 1 . atm 52597 1 temperature 305.2 . K 52597 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52597 _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' . 52597 1 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 52597 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name AVIII600MHz _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52597 _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 . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52597 1 2 '3D HNCA' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52597 1 3 '3D HNCACB' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52597 1 4 '3D HN(CO)CA' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52597 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 52597 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 0.0 external indirect 0.251449530 . . . . . 52597 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1.000000000 . . . . . 52597 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 . . . . . 52597 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 52597 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Backbone 1H, 13C, and 15N Chemical Shift Assignments for WT transthyretin' _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' . . . 52597 1 2 '3D HNCA' . . . 52597 1 3 '3D HNCACB' . . . 52597 1 4 '3D HN(CO)CA' . . . 52597 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 . . 52597 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 THR H H 1 8.311 0.020 . 1 . . . . . 3 THR H . 52597 1 2 . 1 . 1 3 3 THR CA C 13 61.641 0.3 . 1 . . . . . 3 THR CA . 52597 1 3 . 1 . 1 3 3 THR N N 15 113.930 0.3 . 1 . . . . . 3 THR N . 52597 1 4 . 1 . 1 4 4 GLY H H 1 8.412 0.020 . 1 . . . . . 4 GLY H . 52597 1 5 . 1 . 1 4 4 GLY CA C 13 44.990 0.3 . 1 . . . . . 4 GLY CA . 52597 1 6 . 1 . 1 4 4 GLY N N 15 110.960 0.3 . 1 . . . . . 4 GLY N . 52597 1 7 . 1 . 1 5 5 THR H H 1 8.115 0.020 . 1 . . . . . 5 THR H . 52597 1 8 . 1 . 1 5 5 THR CA C 13 61.516 0.3 . 1 . . . . . 5 THR CA . 52597 1 9 . 1 . 1 5 5 THR N N 15 112.769 0.3 . 1 . . . . . 5 THR N . 52597 1 10 . 1 . 1 6 6 GLY H H 1 8.423 0.020 . 1 . . . . . 6 GLY H . 52597 1 11 . 1 . 1 6 6 GLY CA C 13 45.012 0.3 . 1 . . . . . 6 GLY CA . 52597 1 12 . 1 . 1 6 6 GLY N N 15 110.893 0.3 . 1 . . . . . 6 GLY N . 52597 1 13 . 1 . 1 7 7 GLU H H 1 8.201 0.020 . 1 . . . . . 7 GLU H . 52597 1 14 . 1 . 1 7 7 GLU CA C 13 56.117 0.3 . 1 . . . . . 7 GLU CA . 52597 1 15 . 1 . 1 7 7 GLU N N 15 120.501 0.3 . 1 . . . . . 7 GLU N . 52597 1 16 . 1 . 1 8 8 SER H H 1 8.316 0.020 . 1 . . . . . 8 SER H . 52597 1 17 . 1 . 1 8 8 SER CA C 13 58.040 0.3 . 1 . . . . . 8 SER CA . 52597 1 18 . 1 . 1 8 8 SER N N 15 116.766 0.3 . 1 . . . . . 8 SER N . 52597 1 19 . 1 . 1 9 9 LYS H H 1 8.412 0.020 . 1 . . . . . 9 LYS H . 52597 1 20 . 1 . 1 9 9 LYS CA C 13 55.205 0.3 . 1 . . . . . 9 LYS CA . 52597 1 21 . 1 . 1 9 9 LYS N N 15 123.014 0.3 . 1 . . . . . 9 LYS N . 52597 1 22 . 1 . 1 10 10 CYS H H 1 8.185 0.020 . 1 . . . . . 10 CYS H . 52597 1 23 . 1 . 1 10 10 CYS CA C 13 55.326 0.3 . 1 . . . . . 10 CYS CA . 52597 1 24 . 1 . 1 10 10 CYS N N 15 121.850 0.3 . 1 . . . . . 10 CYS N . 52597 1 25 . 1 . 1 12 12 LEU H H 1 6.972 0.020 . 1 . . . . . 12 LEU H . 52597 1 26 . 1 . 1 12 12 LEU CA C 13 53.405 0.3 . 1 . . . . . 12 LEU CA . 52597 1 27 . 1 . 1 12 12 LEU N N 15 120.240 0.3 . 1 . . . . . 12 LEU N . 52597 1 28 . 1 . 1 13 13 MET H H 1 8.692 0.020 . 1 . . . . . 13 MET H . 52597 1 29 . 1 . 1 13 13 MET CA C 13 54.040 0.3 . 1 . . . . . 13 MET CA . 52597 1 30 . 1 . 1 13 13 MET N N 15 126.560 0.3 . 1 . . . . . 13 MET N . 52597 1 31 . 1 . 1 14 14 VAL H H 1 7.502 0.020 . 1 . . . . . 14 VAL H . 52597 1 32 . 1 . 1 14 14 VAL CA C 13 59.583 0.3 . 1 . . . . . 14 VAL CA . 52597 1 33 . 1 . 1 14 14 VAL N N 15 122.232 0.3 . 1 . . . . . 14 VAL N . 52597 1 34 . 1 . 1 15 15 LYS H H 1 8.817 0.020 . 1 . . . . . 15 LYS H . 52597 1 35 . 1 . 1 15 15 LYS CA C 13 54.177 0.3 . 1 . . . . . 15 LYS CA . 52597 1 36 . 1 . 1 15 15 LYS N N 15 126.987 0.3 . 1 . . . . . 15 LYS N . 52597 1 37 . 1 . 1 16 16 VAL H H 1 9.063 0.020 . 1 . . . . . 16 VAL H . 52597 1 38 . 1 . 1 16 16 VAL CA C 13 60.490 0.3 . 1 . . . . . 16 VAL CA . 52597 1 39 . 1 . 1 16 16 VAL N N 15 124.060 0.3 . 1 . . . . . 16 VAL N . 52597 1 40 . 1 . 1 17 17 LEU H H 1 8.540 0.020 . 1 . . . . . 17 LEU H . 52597 1 41 . 1 . 1 17 17 LEU CA C 13 53.499 0.3 . 1 . . . . . 17 LEU CA . 52597 1 42 . 1 . 1 17 17 LEU N N 15 126.436 0.3 . 1 . . . . . 17 LEU N . 52597 1 43 . 1 . 1 18 18 ASP H H 1 8.688 0.020 . 1 . . . . . 18 ASP H . 52597 1 44 . 1 . 1 18 18 ASP CA C 13 52.759 0.3 . 1 . . . . . 18 ASP CA . 52597 1 45 . 1 . 1 18 18 ASP N N 15 121.536 0.3 . 1 . . . . . 18 ASP N . 52597 1 46 . 1 . 1 19 19 ALA H H 1 9.069 0.020 . 1 . . . . . 19 ALA H . 52597 1 47 . 1 . 1 19 19 ALA CA C 13 53.270 0.3 . 1 . . . . . 19 ALA CA . 52597 1 48 . 1 . 1 19 19 ALA N N 15 127.463 0.3 . 1 . . . . . 19 ALA N . 52597 1 49 . 1 . 1 20 20 VAL H H 1 9.707 0.020 . 1 . . . . . 20 VAL H . 52597 1 50 . 1 . 1 20 20 VAL CA C 13 65.117 0.3 . 1 . . . . . 20 VAL CA . 52597 1 51 . 1 . 1 20 20 VAL N N 15 120.375 0.3 . 1 . . . . . 20 VAL N . 52597 1 52 . 1 . 1 22 22 GLY H H 1 7.480 0.020 . 1 . . . . . 22 GLY H . 52597 1 53 . 1 . 1 22 22 GLY CA C 13 46.824 0.3 . 1 . . . . . 22 GLY CA . 52597 1 54 . 1 . 1 22 22 GLY N N 15 109.412 0.3 . 1 . . . . . 22 GLY N . 52597 1 55 . 1 . 1 23 23 SER H H 1 7.442 0.020 . 1 . . . . . 23 SER H . 52597 1 56 . 1 . 1 23 23 SER CA C 13 54.808 0.3 . 1 . . . . . 23 SER CA . 52597 1 57 . 1 . 1 23 23 SER N N 15 111.221 0.3 . 1 . . . . . 23 SER N . 52597 1 58 . 1 . 1 25 25 ALA H H 1 8.044 0.020 . 1 . . . . . 25 ALA H . 52597 1 59 . 1 . 1 25 25 ALA CA C 13 50.299 0.3 . 1 . . . . . 25 ALA CA . 52597 1 60 . 1 . 1 25 25 ALA N N 15 127.207 0.3 . 1 . . . . . 25 ALA N . 52597 1 61 . 1 . 1 26 26 ILE H H 1 7.916 0.020 . 1 . . . . . 26 ILE H . 52597 1 62 . 1 . 1 26 26 ILE CA C 13 61.389 0.3 . 1 . . . . . 26 ILE CA . 52597 1 63 . 1 . 1 26 26 ILE N N 15 126.952 0.3 . 1 . . . . . 26 ILE N . 52597 1 64 . 1 . 1 27 27 ASN H H 1 7.820 0.020 . 1 . . . . . 27 ASN H . 52597 1 65 . 1 . 1 27 27 ASN CA C 13 53.910 0.3 . 1 . . . . . 27 ASN CA . 52597 1 66 . 1 . 1 27 27 ASN N N 15 122.241 0.3 . 1 . . . . . 27 ASN N . 52597 1 67 . 1 . 1 28 28 VAL H H 1 8.411 0.020 . 1 . . . . . 28 VAL H . 52597 1 68 . 1 . 1 28 28 VAL CA C 13 61.130 0.3 . 1 . . . . . 28 VAL CA . 52597 1 69 . 1 . 1 28 28 VAL N N 15 119.920 0.3 . 1 . . . . . 28 VAL N . 52597 1 70 . 1 . 1 29 29 ALA H H 1 9.166 0.020 . 1 . . . . . 29 ALA H . 52597 1 71 . 1 . 1 29 29 ALA CA C 13 52.389 0.3 . 1 . . . . . 29 ALA CA . 52597 1 72 . 1 . 1 29 29 ALA N N 15 130.812 0.3 . 1 . . . . . 29 ALA N . 52597 1 73 . 1 . 1 30 30 VAL H H 1 8.404 0.020 . 1 . . . . . 30 VAL H . 52597 1 74 . 1 . 1 30 30 VAL CA C 13 60.243 0.3 . 1 . . . . . 30 VAL CA . 52597 1 75 . 1 . 1 30 30 VAL N N 15 122.115 0.3 . 1 . . . . . 30 VAL N . 52597 1 76 . 1 . 1 31 31 HIS H H 1 9.029 0.020 . 1 . . . . . 31 HIS H . 52597 1 77 . 1 . 1 31 31 HIS CA C 13 54.682 0.3 . 1 . . . . . 31 HIS CA . 52597 1 78 . 1 . 1 31 31 HIS N N 15 124.362 0.3 . 1 . . . . . 31 HIS N . 52597 1 79 . 1 . 1 32 32 VAL H H 1 9.251 0.020 . 1 . . . . . 32 VAL H . 52597 1 80 . 1 . 1 32 32 VAL CA C 13 59.652 0.3 . 1 . . . . . 32 VAL CA . 52597 1 81 . 1 . 1 32 32 VAL N N 15 121.663 0.3 . 1 . . . . . 32 VAL N . 52597 1 82 . 1 . 1 33 33 PHE H H 1 9.955 0.020 . 1 . . . . . 33 PHE H . 52597 1 83 . 1 . 1 33 33 PHE CA C 13 55.851 0.3 . 1 . . . . . 33 PHE CA . 52597 1 84 . 1 . 1 33 33 PHE N N 15 128.342 0.3 . 1 . . . . . 33 PHE N . 52597 1 85 . 1 . 1 34 34 ARG H H 1 9.522 0.020 . 1 . . . . . 34 ARG H . 52597 1 86 . 1 . 1 34 34 ARG CA C 13 53.910 0.3 . 1 . . . . . 34 ARG CA . 52597 1 87 . 1 . 1 34 34 ARG N N 15 122.500 0.3 . 1 . . . . . 34 ARG N . 52597 1 88 . 1 . 1 35 35 LYS H H 1 8.633 0.020 . 1 . . . . . 35 LYS H . 52597 1 89 . 1 . 1 35 35 LYS CA C 13 57.010 0.3 . 1 . . . . . 35 LYS CA . 52597 1 90 . 1 . 1 35 35 LYS N N 15 130.112 0.3 . 1 . . . . . 35 LYS N . 52597 1 91 . 1 . 1 36 36 ALA H H 1 8.836 0.020 . 1 . . . . . 36 ALA H . 52597 1 92 . 1 . 1 36 36 ALA CA C 13 50.572 0.3 . 1 . . . . . 36 ALA CA . 52597 1 93 . 1 . 1 36 36 ALA N N 15 131.393 0.3 . 1 . . . . . 36 ALA N . 52597 1 94 . 1 . 1 37 37 ALA H H 1 8.406 0.020 . 1 . . . . . 37 ALA H . 52597 1 95 . 1 . 1 37 37 ALA CA C 13 53.781 0.3 . 1 . . . . . 37 ALA CA . 52597 1 96 . 1 . 1 37 37 ALA N N 15 122.163 0.3 . 1 . . . . . 37 ALA N . 52597 1 97 . 1 . 1 38 38 ASP H H 1 7.736 0.020 . 1 . . . . . 38 ASP H . 52597 1 98 . 1 . 1 38 38 ASP CA C 13 52.754 0.3 . 1 . . . . . 38 ASP CA . 52597 1 99 . 1 . 1 38 38 ASP CB C 13 38.958 0.3 . 1 . . . . . 38 ASP CB . 52597 1 100 . 1 . 1 38 38 ASP N N 15 115.618 0.3 . 1 . . . . . 38 ASP N . 52597 1 101 . 1 . 1 39 39 ASP H H 1 7.930 0.020 . 1 . . . . . 39 ASP H . 52597 1 102 . 1 . 1 39 39 ASP CA C 13 55.713 0.3 . 1 . . . . . 39 ASP CA . 52597 1 103 . 1 . 1 39 39 ASP N N 15 112.766 0.3 . 1 . . . . . 39 ASP N . 52597 1 104 . 1 . 1 40 40 THR H H 1 7.278 0.020 . 1 . . . . . 40 THR H . 52597 1 105 . 1 . 1 40 40 THR CA C 13 61.135 0.3 . 1 . . . . . 40 THR CA . 52597 1 106 . 1 . 1 40 40 THR N N 15 110.449 0.3 . 1 . . . . . 40 THR N . 52597 1 107 . 1 . 1 41 41 TRP H H 1 8.413 0.020 . 1 . . . . . 41 TRP H . 52597 1 108 . 1 . 1 41 41 TRP CA C 13 55.200 0.3 . 1 . . . . . 41 TRP CA . 52597 1 109 . 1 . 1 41 41 TRP N N 15 119.993 0.3 . 1 . . . . . 41 TRP N . 52597 1 110 . 1 . 1 42 42 GLU H H 1 9.264 0.020 . 1 . . . . . 42 GLU H . 52597 1 111 . 1 . 1 42 42 GLU CA C 13 52.761 0.3 . 1 . . . . . 42 GLU CA . 52597 1 112 . 1 . 1 42 42 GLU N N 15 126.557 0.3 . 1 . . . . . 42 GLU N . 52597 1 113 . 1 . 1 44 44 PHE H H 1 8.865 0.020 . 1 . . . . . 44 PHE H . 52597 1 114 . 1 . 1 44 44 PHE CA C 13 58.808 0.3 . 1 . . . . . 44 PHE CA . 52597 1 115 . 1 . 1 44 44 PHE N N 15 125.013 0.3 . 1 . . . . . 44 PHE N . 52597 1 116 . 1 . 1 45 45 ALA H H 1 7.930 0.020 . 1 . . . . . 45 ALA H . 52597 1 117 . 1 . 1 45 45 ALA CA C 13 51.987 0.3 . 1 . . . . . 45 ALA CA . 52597 1 118 . 1 . 1 45 45 ALA N N 15 118.739 0.3 . 1 . . . . . 45 ALA N . 52597 1 119 . 1 . 1 46 46 SER H H 1 8.564 0.020 . 1 . . . . . 46 SER H . 52597 1 120 . 1 . 1 46 46 SER CA C 13 57.390 0.3 . 1 . . . . . 46 SER CA . 52597 1 121 . 1 . 1 46 46 SER N N 15 113.034 0.3 . 1 . . . . . 46 SER N . 52597 1 122 . 1 . 1 47 47 GLY H H 1 8.465 0.020 . 1 . . . . . 47 GLY H . 52597 1 123 . 1 . 1 47 47 GLY CA C 13 45.407 0.3 . 1 . . . . . 47 GLY CA . 52597 1 124 . 1 . 1 47 47 GLY N N 15 106.643 0.3 . 1 . . . . . 47 GLY N . 52597 1 125 . 1 . 1 48 48 LYS H H 1 8.479 0.020 . 1 . . . . . 48 LYS H . 52597 1 126 . 1 . 1 48 48 LYS CA C 13 53.389 0.3 . 1 . . . . . 48 LYS CA . 52597 1 127 . 1 . 1 48 48 LYS N N 15 119.857 0.3 . 1 . . . . . 48 LYS N . 52597 1 128 . 1 . 1 49 49 THR H H 1 8.689 0.020 . 1 . . . . . 49 THR H . 52597 1 129 . 1 . 1 49 49 THR CA C 13 61.895 0.3 . 1 . . . . . 49 THR CA . 52597 1 130 . 1 . 1 49 49 THR N N 15 111.552 0.3 . 1 . . . . . 49 THR N . 52597 1 131 . 1 . 1 50 50 SER H H 1 8.561 0.020 . 1 . . . . . 50 SER H . 52597 1 132 . 1 . 1 50 50 SER CA C 13 56.810 0.3 . 1 . . . . . 50 SER CA . 52597 1 133 . 1 . 1 50 50 SER N N 15 118.244 0.3 . 1 . . . . . 50 SER N . 52597 1 134 . 1 . 1 51 51 GLU H H 1 9.122 0.020 . 1 . . . . . 51 GLU H . 52597 1 135 . 1 . 1 51 51 GLU CA C 13 58.811 0.3 . 1 . . . . . 51 GLU CA . 52597 1 136 . 1 . 1 51 51 GLU N N 15 118.442 0.3 . 1 . . . . . 51 GLU N . 52597 1 137 . 1 . 1 52 52 SER H H 1 8.122 0.020 . 1 . . . . . 52 SER H . 52597 1 138 . 1 . 1 52 52 SER CA C 13 57.016 0.3 . 1 . . . . . 52 SER CA . 52597 1 139 . 1 . 1 52 52 SER N N 15 111.481 0.3 . 1 . . . . . 52 SER N . 52597 1 140 . 1 . 1 53 53 GLY H H 1 8.586 0.020 . 1 . . . . . 53 GLY H . 52597 1 141 . 1 . 1 53 53 GLY CA C 13 45.272 0.3 . 1 . . . . . 53 GLY CA . 52597 1 142 . 1 . 1 53 53 GLY N N 15 112.246 0.3 . 1 . . . . . 53 GLY N . 52597 1 143 . 1 . 1 54 54 GLU H H 1 7.177 0.020 . 1 . . . . . 54 GLU H . 52597 1 144 . 1 . 1 54 54 GLU CA C 13 54.047 0.3 . 1 . . . . . 54 GLU CA . 52597 1 145 . 1 . 1 54 54 GLU N N 15 115.600 0.3 . 1 . . . . . 54 GLU N . 52597 1 146 . 1 . 1 55 55 LEU H H 1 8.595 0.020 . 1 . . . . . 55 LEU H . 52597 1 147 . 1 . 1 55 55 LEU CA C 13 53.714 0.3 . 1 . . . . . 55 LEU CA . 52597 1 148 . 1 . 1 55 55 LEU N N 15 123.278 0.3 . 1 . . . . . 55 LEU N . 52597 1 149 . 1 . 1 58 58 LEU H H 1 8.342 0.020 . 1 . . . . . 58 LEU H . 52597 1 150 . 1 . 1 58 58 LEU CA C 13 57.121 0.3 . 1 . . . . . 58 LEU CA . 52597 1 151 . 1 . 1 58 58 LEU N N 15 119.667 0.3 . 1 . . . . . 58 LEU N . 52597 1 152 . 1 . 1 59 59 THR H H 1 7.238 0.020 . 1 . . . . . 59 THR H . 52597 1 153 . 1 . 1 59 59 THR CA C 13 58.946 0.3 . 1 . . . . . 59 THR CA . 52597 1 154 . 1 . 1 59 59 THR N N 15 107.222 0.3 . 1 . . . . . 59 THR N . 52597 1 155 . 1 . 1 60 60 THR H H 1 8.519 0.020 . 1 . . . . . 60 THR H . 52597 1 156 . 1 . 1 60 60 THR CA C 13 59.069 0.3 . 1 . . . . . 60 THR CA . 52597 1 157 . 1 . 1 60 60 THR N N 15 111.612 0.3 . 1 . . . . . 60 THR N . 52597 1 158 . 1 . 1 61 61 GLU H H 1 9.091 0.020 . 1 . . . . . 61 GLU H . 52597 1 159 . 1 . 1 61 61 GLU CA C 13 59.838 0.3 . 1 . . . . . 61 GLU CA . 52597 1 160 . 1 . 1 61 61 GLU N N 15 120.761 0.3 . 1 . . . . . 61 GLU N . 52597 1 161 . 1 . 1 62 62 GLU H H 1 8.731 0.020 . 1 . . . . . 62 GLU H . 52597 1 162 . 1 . 1 62 62 GLU CA C 13 58.953 0.3 . 1 . . . . . 62 GLU CA . 52597 1 163 . 1 . 1 62 62 GLU N N 15 115.988 0.3 . 1 . . . . . 62 GLU N . 52597 1 164 . 1 . 1 63 63 GLU H H 1 7.285 0.020 . 1 . . . . . 63 GLU H . 52597 1 165 . 1 . 1 63 63 GLU CA C 13 56.744 0.3 . 1 . . . . . 63 GLU CA . 52597 1 166 . 1 . 1 63 63 GLU N N 15 115.345 0.3 . 1 . . . . . 63 GLU N . 52597 1 167 . 1 . 1 64 64 PHE H H 1 7.825 0.020 . 1 . . . . . 64 PHE H . 52597 1 168 . 1 . 1 64 64 PHE CA C 13 54.686 0.3 . 1 . . . . . 64 PHE CA . 52597 1 169 . 1 . 1 64 64 PHE N N 15 123.469 0.3 . 1 . . . . . 64 PHE N . 52597 1 170 . 1 . 1 65 65 VAL H H 1 7.144 0.020 . 1 . . . . . 65 VAL H . 52597 1 171 . 1 . 1 65 65 VAL CA C 13 59.853 0.3 . 1 . . . . . 65 VAL CA . 52597 1 172 . 1 . 1 65 65 VAL N N 15 114.956 0.3 . 1 . . . . . 65 VAL N . 52597 1 173 . 1 . 1 66 66 GLU H H 1 8.608 0.020 . 1 . . . . . 66 GLU H . 52597 1 174 . 1 . 1 66 66 GLU CA C 13 56.488 0.3 . 1 . . . . . 66 GLU CA . 52597 1 175 . 1 . 1 66 66 GLU N N 15 121.598 0.3 . 1 . . . . . 66 GLU N . 52597 1 176 . 1 . 1 67 67 GLY H H 1 7.917 0.020 . 1 . . . . . 67 GLY H . 52597 1 177 . 1 . 1 67 67 GLY CA C 13 44.373 0.3 . 1 . . . . . 67 GLY CA . 52597 1 178 . 1 . 1 67 67 GLY N N 15 111.155 0.3 . 1 . . . . . 67 GLY N . 52597 1 179 . 1 . 1 68 68 ILE H H 1 8.342 0.020 . 1 . . . . . 68 ILE H . 52597 1 180 . 1 . 1 68 68 ILE CA C 13 60.623 0.3 . 1 . . . . . 68 ILE CA . 52597 1 181 . 1 . 1 68 68 ILE N N 15 120.313 0.3 . 1 . . . . . 68 ILE N . 52597 1 182 . 1 . 1 69 69 TYR H H 1 8.644 0.020 . 1 . . . . . 69 TYR H . 52597 1 183 . 1 . 1 69 69 TYR CA C 13 55.989 0.3 . 1 . . . . . 69 TYR CA . 52597 1 184 . 1 . 1 69 69 TYR N N 15 124.828 0.3 . 1 . . . . . 69 TYR N . 52597 1 185 . 1 . 1 70 70 LYS H H 1 8.722 0.020 . 1 . . . . . 70 LYS H . 52597 1 186 . 1 . 1 70 70 LYS CA C 13 53.141 0.3 . 1 . . . . . 70 LYS CA . 52597 1 187 . 1 . 1 70 70 LYS N N 15 118.440 0.3 . 1 . . . . . 70 LYS N . 52597 1 188 . 1 . 1 71 71 VAL H H 1 9.645 0.020 . 1 . . . . . 71 VAL H . 52597 1 189 . 1 . 1 71 71 VAL CA C 13 60.761 0.3 . 1 . . . . . 71 VAL CA . 52597 1 190 . 1 . 1 71 71 VAL N N 15 127.465 0.3 . 1 . . . . . 71 VAL N . 52597 1 191 . 1 . 1 72 72 GLU H H 1 9.760 0.020 . 1 . . . . . 72 GLU H . 52597 1 192 . 1 . 1 72 72 GLU CA C 13 54.818 0.3 . 1 . . . . . 72 GLU CA . 52597 1 193 . 1 . 1 72 72 GLU N N 15 128.297 0.3 . 1 . . . . . 72 GLU N . 52597 1 194 . 1 . 1 73 73 ILE H H 1 9.214 0.020 . 1 . . . . . 73 ILE H . 52597 1 195 . 1 . 1 73 73 ILE CA C 13 59.971 0.3 . 1 . . . . . 73 ILE CA . 52597 1 196 . 1 . 1 73 73 ILE N N 15 125.853 0.3 . 1 . . . . . 73 ILE N . 52597 1 197 . 1 . 1 74 74 ASP H H 1 8.922 0.020 . 1 . . . . . 74 ASP H . 52597 1 198 . 1 . 1 74 74 ASP CA C 13 53.018 0.3 . 1 . . . . . 74 ASP CA . 52597 1 199 . 1 . 1 74 74 ASP N N 15 127.980 0.3 . 1 . . . . . 74 ASP N . 52597 1 200 . 1 . 1 75 75 THR H H 1 8.249 0.020 . 1 . . . . . 75 THR H . 52597 1 201 . 1 . 1 75 75 THR CA C 13 64.222 0.3 . 1 . . . . . 75 THR CA . 52597 1 202 . 1 . 1 75 75 THR N N 15 117.280 0.3 . 1 . . . . . 75 THR N . 52597 1 203 . 1 . 1 76 76 LYS H H 1 7.646 0.020 . 1 . . . . . 76 LYS H . 52597 1 204 . 1 . 1 76 76 LYS CA C 13 60.104 0.3 . 1 . . . . . 76 LYS CA . 52597 1 205 . 1 . 1 76 76 LYS N N 15 124.497 0.3 . 1 . . . . . 76 LYS N . 52597 1 206 . 1 . 1 77 77 SER H H 1 8.200 0.020 . 1 . . . . . 77 SER H . 52597 1 207 . 1 . 1 77 77 SER CA C 13 61.395 0.3 . 1 . . . . . 77 SER CA . 52597 1 208 . 1 . 1 77 77 SER N N 15 112.962 0.3 . 1 . . . . . 77 SER N . 52597 1 209 . 1 . 1 78 78 TYR H H 1 6.773 0.020 . 1 . . . . . 78 TYR H . 52597 1 210 . 1 . 1 78 78 TYR CA C 13 60.875 0.3 . 1 . . . . . 78 TYR CA . 52597 1 211 . 1 . 1 78 78 TYR N N 15 121.022 0.3 . 1 . . . . . 78 TYR N . 52597 1 212 . 1 . 1 79 79 TRP H H 1 7.819 0.020 . 1 . . . . . 79 TRP H . 52597 1 213 . 1 . 1 79 79 TRP CA C 13 58.943 0.3 . 1 . . . . . 79 TRP CA . 52597 1 214 . 1 . 1 79 79 TRP N N 15 117.336 0.3 . 1 . . . . . 79 TRP N . 52597 1 215 . 1 . 1 80 80 LYS H H 1 8.804 0.020 . 1 . . . . . 80 LYS H . 52597 1 216 . 1 . 1 80 80 LYS CA C 13 59.207 0.3 . 1 . . . . . 80 LYS CA . 52597 1 217 . 1 . 1 80 80 LYS N N 15 118.377 0.3 . 1 . . . . . 80 LYS N . 52597 1 218 . 1 . 1 81 81 ALA H H 1 7.557 0.020 . 1 . . . . . 81 ALA H . 52597 1 219 . 1 . 1 81 81 ALA CA C 13 54.038 0.3 . 1 . . . . . 81 ALA CA . 52597 1 220 . 1 . 1 81 81 ALA N N 15 122.045 0.3 . 1 . . . . . 81 ALA N . 52597 1 221 . 1 . 1 82 82 LEU H H 1 7.301 0.020 . 1 . . . . . 82 LEU H . 52597 1 222 . 1 . 1 82 82 LEU CA C 13 54.038 0.3 . 1 . . . . . 82 LEU CA . 52597 1 223 . 1 . 1 82 82 LEU N N 15 117.408 0.3 . 1 . . . . . 82 LEU N . 52597 1 224 . 1 . 1 83 83 GLY H H 1 7.966 0.020 . 1 . . . . . 83 GLY H . 52597 1 225 . 1 . 1 83 83 GLY CA C 13 45.275 0.3 . 1 . . . . . 83 GLY CA . 52597 1 226 . 1 . 1 83 83 GLY N N 15 107.413 0.3 . 1 . . . . . 83 GLY N . 52597 1 227 . 1 . 1 84 84 ILE H H 1 7.943 0.020 . 1 . . . . . 84 ILE H . 52597 1 228 . 1 . 1 84 84 ILE CA C 13 59.264 0.3 . 1 . . . . . 84 ILE CA . 52597 1 229 . 1 . 1 84 84 ILE N N 15 122.756 0.3 . 1 . . . . . 84 ILE N . 52597 1 230 . 1 . 1 85 85 SER H H 1 8.477 0.020 . 1 . . . . . 85 SER H . 52597 1 231 . 1 . 1 85 85 SER CA C 13 54.545 0.3 . 1 . . . . . 85 SER CA . 52597 1 232 . 1 . 1 85 85 SER N N 15 121.921 0.3 . 1 . . . . . 85 SER N . 52597 1 233 . 1 . 1 87 87 PHE H H 1 7.336 0.020 . 1 . . . . . 87 PHE H . 52597 1 234 . 1 . 1 87 87 PHE CA C 13 60.094 0.3 . 1 . . . . . 87 PHE CA . 52597 1 235 . 1 . 1 87 87 PHE N N 15 115.612 0.3 . 1 . . . . . 87 PHE N . 52597 1 236 . 1 . 1 88 88 HIS H H 1 7.729 0.020 . 1 . . . . . 88 HIS H . 52597 1 237 . 1 . 1 88 88 HIS CA C 13 57.664 0.3 . 1 . . . . . 88 HIS CA . 52597 1 238 . 1 . 1 88 88 HIS N N 15 113.349 0.3 . 1 . . . . . 88 HIS N . 52597 1 239 . 1 . 1 90 90 HIS H H 1 8.165 0.020 . 1 . . . . . 90 HIS H . 52597 1 240 . 1 . 1 90 90 HIS CA C 13 54.301 0.3 . 1 . . . . . 90 HIS CA . 52597 1 241 . 1 . 1 90 90 HIS N N 15 116.817 0.3 . 1 . . . . . 90 HIS N . 52597 1 242 . 1 . 1 91 91 ALA H H 1 8.442 0.020 . 1 . . . . . 91 ALA H . 52597 1 243 . 1 . 1 91 91 ALA CA C 13 51.459 0.3 . 1 . . . . . 91 ALA CA . 52597 1 244 . 1 . 1 91 91 ALA N N 15 119.698 0.3 . 1 . . . . . 91 ALA N . 52597 1 245 . 1 . 1 92 92 GLU H H 1 8.418 0.020 . 1 . . . . . 92 GLU H . 52597 1 246 . 1 . 1 92 92 GLU CA C 13 54.045 0.3 . 1 . . . . . 92 GLU CA . 52597 1 247 . 1 . 1 92 92 GLU N N 15 121.564 0.3 . 1 . . . . . 92 GLU N . 52597 1 248 . 1 . 1 93 93 VAL H H 1 8.898 0.020 . 1 . . . . . 93 VAL H . 52597 1 249 . 1 . 1 93 93 VAL CA C 13 61.268 0.3 . 1 . . . . . 93 VAL CA . 52597 1 250 . 1 . 1 93 93 VAL N N 15 121.550 0.3 . 1 . . . . . 93 VAL N . 52597 1 251 . 1 . 1 94 94 VAL H H 1 9.248 0.020 . 1 . . . . . 94 VAL H . 52597 1 252 . 1 . 1 94 94 VAL CA C 13 60.877 0.3 . 1 . . . . . 94 VAL CA . 52597 1 253 . 1 . 1 94 94 VAL N N 15 128.042 0.3 . 1 . . . . . 94 VAL N . 52597 1 254 . 1 . 1 95 95 PHE H H 1 9.041 0.020 . 1 . . . . . 95 PHE H . 52597 1 255 . 1 . 1 95 95 PHE CA C 13 55.605 0.3 . 1 . . . . . 95 PHE CA . 52597 1 256 . 1 . 1 95 95 PHE N N 15 124.473 0.3 . 1 . . . . . 95 PHE N . 52597 1 257 . 1 . 1 96 96 THR H H 1 8.728 0.020 . 1 . . . . . 96 THR H . 52597 1 258 . 1 . 1 96 96 THR CA C 13 62.680 0.3 . 1 . . . . . 96 THR CA . 52597 1 259 . 1 . 1 96 96 THR N N 15 118.369 0.3 . 1 . . . . . 96 THR N . 52597 1 260 . 1 . 1 97 97 ALA H H 1 9.184 0.020 . 1 . . . . . 97 ALA H . 52597 1 261 . 1 . 1 97 97 ALA CA C 13 49.668 0.3 . 1 . . . . . 97 ALA CA . 52597 1 262 . 1 . 1 97 97 ALA N N 15 129.585 0.3 . 1 . . . . . 97 ALA N . 52597 1 263 . 1 . 1 98 98 ASN H H 1 8.695 0.020 . 1 . . . . . 98 ASN H . 52597 1 264 . 1 . 1 98 98 ASN CA C 13 53.916 0.3 . 1 . . . . . 98 ASN CA . 52597 1 265 . 1 . 1 98 98 ASN N N 15 112.433 0.3 . 1 . . . . . 98 ASN N . 52597 1 266 . 1 . 1 99 99 ASP H H 1 8.914 0.020 . 1 . . . . . 99 ASP H . 52597 1 267 . 1 . 1 99 99 ASP CA C 13 55.066 0.3 . 1 . . . . . 99 ASP CA . 52597 1 268 . 1 . 1 99 99 ASP N N 15 117.217 0.3 . 1 . . . . . 99 ASP N . 52597 1 269 . 1 . 1 100 100 SER H H 1 8.890 0.020 . 1 . . . . . 100 SER H . 52597 1 270 . 1 . 1 100 100 SER CA C 13 56.833 0.3 . 1 . . . . . 100 SER CA . 52597 1 271 . 1 . 1 100 100 SER N N 15 117.350 0.3 . 1 . . . . . 100 SER N . 52597 1 272 . 1 . 1 101 101 GLY H H 1 7.207 0.020 . 1 . . . . . 101 GLY H . 52597 1 273 . 1 . 1 101 101 GLY CA C 13 43.219 0.3 . 1 . . . . . 101 GLY CA . 52597 1 274 . 1 . 1 101 101 GLY N N 15 109.993 0.3 . 1 . . . . . 101 GLY N . 52597 1 275 . 1 . 1 103 103 ARG H H 1 8.989 0.020 . 1 . . . . . 103 ARG H . 52597 1 276 . 1 . 1 103 103 ARG CA C 13 57.778 0.3 . 1 . . . . . 103 ARG CA . 52597 1 277 . 1 . 1 103 103 ARG N N 15 121.212 0.3 . 1 . . . . . 103 ARG N . 52597 1 278 . 1 . 1 104 104 ARG H H 1 7.325 0.020 . 1 . . . . . 104 ARG H . 52597 1 279 . 1 . 1 104 104 ARG CA C 13 54.286 0.3 . 1 . . . . . 104 ARG CA . 52597 1 280 . 1 . 1 104 104 ARG N N 15 106.576 0.3 . 1 . . . . . 104 ARG N . 52597 1 281 . 1 . 1 105 105 TYR H H 1 8.887 0.020 . 1 . . . . . 105 TYR H . 52597 1 282 . 1 . 1 105 105 TYR CA C 13 57.531 0.3 . 1 . . . . . 105 TYR CA . 52597 1 283 . 1 . 1 105 105 TYR N N 15 121.228 0.3 . 1 . . . . . 105 TYR N . 52597 1 284 . 1 . 1 106 106 THR H H 1 8.849 0.020 . 1 . . . . . 106 THR H . 52597 1 285 . 1 . 1 106 106 THR CA C 13 61.509 0.3 . 1 . . . . . 106 THR CA . 52597 1 286 . 1 . 1 106 106 THR N N 15 120.576 0.3 . 1 . . . . . 106 THR N . 52597 1 287 . 1 . 1 107 107 ILE H H 1 8.874 0.020 . 1 . . . . . 107 ILE H . 52597 1 288 . 1 . 1 107 107 ILE CA C 13 58.271 0.3 . 1 . . . . . 107 ILE CA . 52597 1 289 . 1 . 1 107 107 ILE N N 15 127.381 0.3 . 1 . . . . . 107 ILE N . 52597 1 290 . 1 . 1 108 108 ALA H H 1 8.827 0.020 . 1 . . . . . 108 ALA H . 52597 1 291 . 1 . 1 108 108 ALA CA C 13 48.899 0.3 . 1 . . . . . 108 ALA CA . 52597 1 292 . 1 . 1 108 108 ALA N N 15 128.689 0.3 . 1 . . . . . 108 ALA N . 52597 1 293 . 1 . 1 109 109 ALA H H 1 9.103 0.020 . 1 . . . . . 109 ALA H . 52597 1 294 . 1 . 1 109 109 ALA CA C 13 49.916 0.3 . 1 . . . . . 109 ALA CA . 52597 1 295 . 1 . 1 109 109 ALA N N 15 126.046 0.3 . 1 . . . . . 109 ALA N . 52597 1 296 . 1 . 1 110 110 LEU H H 1 8.808 0.020 . 1 . . . . . 110 LEU H . 52597 1 297 . 1 . 1 110 110 LEU CA C 13 53.546 0.3 . 1 . . . . . 110 LEU CA . 52597 1 298 . 1 . 1 110 110 LEU N N 15 125.846 0.3 . 1 . . . . . 110 LEU N . 52597 1 299 . 1 . 1 111 111 LEU H H 1 9.091 0.020 . 1 . . . . . 111 LEU H . 52597 1 300 . 1 . 1 111 111 LEU CA C 13 55.231 0.3 . 1 . . . . . 111 LEU CA . 52597 1 301 . 1 . 1 111 111 LEU N N 15 124.009 0.3 . 1 . . . . . 111 LEU N . 52597 1 302 . 1 . 1 112 112 SER H H 1 9.055 0.020 . 1 . . . . . 112 SER H . 52597 1 303 . 1 . 1 112 112 SER CA C 13 57.655 0.3 . 1 . . . . . 112 SER CA . 52597 1 304 . 1 . 1 112 112 SER N N 15 116.687 0.3 . 1 . . . . . 112 SER N . 52597 1 305 . 1 . 1 114 114 TYR H H 1 8.232 0.020 . 1 . . . . . 114 TYR H . 52597 1 306 . 1 . 1 114 114 TYR CA C 13 57.819 0.3 . 1 . . . . . 114 TYR CA . 52597 1 307 . 1 . 1 114 114 TYR N N 15 113.868 0.3 . 1 . . . . . 114 TYR N . 52597 1 308 . 1 . 1 115 115 SER H H 1 7.446 0.020 . 1 . . . . . 115 SER H . 52597 1 309 . 1 . 1 115 115 SER CA C 13 56.997 0.3 . 1 . . . . . 115 SER CA . 52597 1 310 . 1 . 1 115 115 SER N N 15 111.598 0.3 . 1 . . . . . 115 SER N . 52597 1 311 . 1 . 1 117 117 SER H H 1 8.397 0.020 . 1 . . . . . 117 SER H . 52597 1 312 . 1 . 1 117 117 SER CA C 13 54.958 0.3 . 1 . . . . . 117 SER CA . 52597 1 313 . 1 . 1 117 117 SER N N 15 113.851 0.3 . 1 . . . . . 117 SER N . 52597 1 314 . 1 . 1 118 118 THR H H 1 8.910 0.020 . 1 . . . . . 118 THR H . 52597 1 315 . 1 . 1 118 118 THR CA C 13 58.301 0.3 . 1 . . . . . 118 THR CA . 52597 1 316 . 1 . 1 118 118 THR N N 15 116.155 0.3 . 1 . . . . . 118 THR N . 52597 1 317 . 1 . 1 119 119 THR H H 1 8.400 0.020 . 1 . . . . . 119 THR H . 52597 1 318 . 1 . 1 119 119 THR CA C 13 60.865 0.3 . 1 . . . . . 119 THR CA . 52597 1 319 . 1 . 1 119 119 THR N N 15 122.303 0.3 . 1 . . . . . 119 THR N . 52597 1 320 . 1 . 1 120 120 ALA H H 1 8.368 0.020 . 1 . . . . . 120 ALA H . 52597 1 321 . 1 . 1 120 120 ALA CA C 13 49.273 0.3 . 1 . . . . . 120 ALA CA . 52597 1 322 . 1 . 1 120 120 ALA N N 15 128.924 0.3 . 1 . . . . . 120 ALA N . 52597 1 323 . 1 . 1 121 121 VAL H H 1 8.274 0.020 . 1 . . . . . 121 VAL H . 52597 1 324 . 1 . 1 121 121 VAL CA C 13 60.346 0.3 . 1 . . . . . 121 VAL CA . 52597 1 325 . 1 . 1 121 121 VAL N N 15 119.280 0.3 . 1 . . . . . 121 VAL N . 52597 1 326 . 1 . 1 122 122 VAL H H 1 8.355 0.020 . 1 . . . . . 122 VAL H . 52597 1 327 . 1 . 1 122 122 VAL CA C 13 60.872 0.3 . 1 . . . . . 122 VAL CA . 52597 1 328 . 1 . 1 122 122 VAL N N 15 128.877 0.3 . 1 . . . . . 122 VAL N . 52597 1 329 . 1 . 1 123 123 THR H H 1 8.755 0.020 . 1 . . . . . 123 THR H . 52597 1 330 . 1 . 1 123 123 THR CA C 13 59.714 0.3 . 1 . . . . . 123 THR CA . 52597 1 331 . 1 . 1 123 123 THR N N 15 119.342 0.3 . 1 . . . . . 123 THR N . 52597 1 332 . 1 . 1 124 124 ASN H H 1 8.740 0.020 . 1 . . . . . 124 ASN H . 52597 1 333 . 1 . 1 124 124 ASN CA C 13 50.012 0.3 . 1 . . . . . 124 ASN CA . 52597 1 334 . 1 . 1 124 124 ASN N N 15 120.952 0.3 . 1 . . . . . 124 ASN N . 52597 1 335 . 1 . 1 126 126 LYS H H 1 7.997 0.020 . 1 . . . . . 126 LYS H . 52597 1 336 . 1 . 1 126 126 LYS CA C 13 55.655 0.3 . 1 . . . . . 126 LYS CA . 52597 1 337 . 1 . 1 126 126 LYS N N 15 119.985 0.3 . 1 . . . . . 126 LYS N . 52597 1 338 . 1 . 1 127 127 GLU H H 1 7.681 0.020 . 1 . . . . . 127 GLU H . 52597 1 339 . 1 . 1 127 127 GLU CA C 13 57.652 0.3 . 1 . . . . . 127 GLU CA . 52597 1 340 . 1 . 1 127 127 GLU N N 15 126.626 0.3 . 1 . . . . . 127 GLU N . 52597 1 stop_ save_