data_27169 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27169 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for truncated forms of the coronavirus nsp1 protein and its solubility domain GB1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-07-06 _Entry.Accession_date 2017-07-06 _Entry.Last_release_date 2017-07-06 _Entry.Original_release_date 2017-07-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 ; The data deposited here represent a study of the truncated froms of the globular domain of the nsp1 SARS coronavirus protein. ; 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 Leonardo Vazquez . . . . 27169 2 Marcius Almeida . S. . . 27169 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Universidade Federal do Rio de Janeiro' . 27169 2 . 'Centro de Ciencias da Saude' . 27169 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27169 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 244 27169 '15N chemical shifts' 65 27169 '1H chemical shifts' 234 27169 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 2 . . 2017-11-02 2017-07-06 update BMRB 'update entry citation' 27169 1 . . 2017-08-10 2017-07-06 original author 'original release' 27169 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27176 'truncated forms of the coronavirus nsp1 protein; nsp1(13-25)' 27169 BMRB 27177 'truncated forms of the coronavirus nsp1 protein; nsp1(13-50)' 27169 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27169 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1371/journal.pone.0182132 _Citation.PubMed_ID 28750053 _Citation.Full_citation . _Citation.Title ; Comprehensive structural analysis of designed incomplete polypeptide chains of the replicase nonstructural protein 1 from the severe acute respiratory syndrome coronavirus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS ONE' _Citation.Journal_name_full 'PloS one' _Citation.Journal_volume 12 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1932-6203 _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 e0182132 _Citation.Page_last e0182132 _Citation.Year 2017 _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 Leonardo Vazquez . . . . 27169 1 2 Luis Lima . MTR . . 27169 1 3 Marcius Almeida . S. . . 27169 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID coronavirus 27169 1 nsp1 27169 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27169 _Assembly.ID 1 _Assembly.Name 'solubility domain GB1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _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 'solubility domain GB1' 1 $GB1 A . yes 'partially disordered' no yes . . . 27169 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Virulence factor of the SARS coronavirus' 27169 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GB1 _Entity.Sf_category entity _Entity.Sf_framecode GB1 _Entity.Entry_ID 27169 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name GB1 _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 ; MFQYKLILNGKTLKGETTTE AVDAATAEKVFKQYANDNGV DGEWTYDDATKTFTVTEGSA TMAENLYFQGLSLANAAALE HHHHHH ; _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 86 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment ; D25 - nsp1(13-25) T50 - nsp1(13-50) S100 - nsp1(13-100) ; _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 . MET . 27169 1 2 . PHE . 27169 1 3 2 GLN . 27169 1 4 3 TYR . 27169 1 5 4 LYS . 27169 1 6 5 LEU . 27169 1 7 6 ILE . 27169 1 8 7 LEU . 27169 1 9 8 ASN . 27169 1 10 9 GLY . 27169 1 11 10 LYS . 27169 1 12 11 THR . 27169 1 13 12 LEU . 27169 1 14 13 LYS . 27169 1 15 14 GLY . 27169 1 16 15 GLU . 27169 1 17 16 THR . 27169 1 18 17 THR . 27169 1 19 18 THR . 27169 1 20 19 GLU . 27169 1 21 20 ALA . 27169 1 22 21 VAL . 27169 1 23 22 ASP . 27169 1 24 23 ALA . 27169 1 25 24 ALA . 27169 1 26 25 THR . 27169 1 27 26 ALA . 27169 1 28 27 GLU . 27169 1 29 28 LYS . 27169 1 30 29 VAL . 27169 1 31 30 PHE . 27169 1 32 31 LYS . 27169 1 33 32 GLN . 27169 1 34 33 TYR . 27169 1 35 34 ALA . 27169 1 36 35 ASN . 27169 1 37 36 ASP . 27169 1 38 37 ASN . 27169 1 39 38 GLY . 27169 1 40 39 VAL . 27169 1 41 40 ASP . 27169 1 42 41 GLY . 27169 1 43 42 GLU . 27169 1 44 43 TRP . 27169 1 45 44 THR . 27169 1 46 45 TYR . 27169 1 47 46 ASP . 27169 1 48 47 ASP . 27169 1 49 48 ALA . 27169 1 50 49 THR . 27169 1 51 50 LYS . 27169 1 52 51 THR . 27169 1 53 52 PHE . 27169 1 54 53 THR . 27169 1 55 54 VAL . 27169 1 56 55 THR . 27169 1 57 56 GLU . 27169 1 58 57 GLY . 27169 1 59 58 SER . 27169 1 60 59 ALA . 27169 1 61 60 THR . 27169 1 62 61 MET . 27169 1 63 62 ALA . 27169 1 64 63 GLU . 27169 1 65 64 ASN . 27169 1 66 65 LEU . 27169 1 67 66 TYR . 27169 1 68 67 PHE . 27169 1 69 68 GLN . 27169 1 70 69 GLY . 27169 1 71 70 LEU . 27169 1 72 71 SER . 27169 1 73 72 LEU . 27169 1 74 73 ALA . 27169 1 75 74 ASN . 27169 1 76 75 ALA . 27169 1 77 76 ALA . 27169 1 78 77 ALA . 27169 1 79 78 LEU . 27169 1 80 79 GLU . 27169 1 81 80 HIS . 27169 1 82 81 HIS . 27169 1 83 82 HIS . 27169 1 84 83 HIS . 27169 1 85 84 HIS . 27169 1 86 85 HIS . 27169 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 . MET 1 1 27169 1 . PHE 2 2 27169 1 . GLN 3 3 27169 1 . TYR 4 4 27169 1 . LYS 5 5 27169 1 . LEU 6 6 27169 1 . ILE 7 7 27169 1 . LEU 8 8 27169 1 . ASN 9 9 27169 1 . GLY 10 10 27169 1 . LYS 11 11 27169 1 . THR 12 12 27169 1 . LEU 13 13 27169 1 . LYS 14 14 27169 1 . GLY 15 15 27169 1 . GLU 16 16 27169 1 . THR 17 17 27169 1 . THR 18 18 27169 1 . THR 19 19 27169 1 . GLU 20 20 27169 1 . ALA 21 21 27169 1 . VAL 22 22 27169 1 . ASP 23 23 27169 1 . ALA 24 24 27169 1 . ALA 25 25 27169 1 . THR 26 26 27169 1 . ALA 27 27 27169 1 . GLU 28 28 27169 1 . LYS 29 29 27169 1 . VAL 30 30 27169 1 . PHE 31 31 27169 1 . LYS 32 32 27169 1 . GLN 33 33 27169 1 . TYR 34 34 27169 1 . ALA 35 35 27169 1 . ASN 36 36 27169 1 . ASP 37 37 27169 1 . ASN 38 38 27169 1 . GLY 39 39 27169 1 . VAL 40 40 27169 1 . ASP 41 41 27169 1 . GLY 42 42 27169 1 . GLU 43 43 27169 1 . TRP 44 44 27169 1 . THR 45 45 27169 1 . TYR 46 46 27169 1 . ASP 47 47 27169 1 . ASP 48 48 27169 1 . ALA 49 49 27169 1 . THR 50 50 27169 1 . LYS 51 51 27169 1 . THR 52 52 27169 1 . PHE 53 53 27169 1 . THR 54 54 27169 1 . VAL 55 55 27169 1 . THR 56 56 27169 1 . GLU 57 57 27169 1 . GLY 58 58 27169 1 . SER 59 59 27169 1 . ALA 60 60 27169 1 . THR 61 61 27169 1 . MET 62 62 27169 1 . ALA 63 63 27169 1 . GLU 64 64 27169 1 . ASN 65 65 27169 1 . LEU 66 66 27169 1 . TYR 67 67 27169 1 . PHE 68 68 27169 1 . GLN 69 69 27169 1 . GLY 70 70 27169 1 . LEU 71 71 27169 1 . SER 72 72 27169 1 . LEU 73 73 27169 1 . ALA 74 74 27169 1 . ASN 75 75 27169 1 . ALA 76 76 27169 1 . ALA 77 77 27169 1 . ALA 78 78 27169 1 . LEU 79 79 27169 1 . GLU 80 80 27169 1 . HIS 81 81 27169 1 . HIS 82 82 27169 1 . HIS 83 83 27169 1 . HIS 84 84 27169 1 . HIS 85 85 27169 1 . HIS 86 86 27169 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27169 _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 $GB1 . 227859 virus . 'SARS coronavirus' 'SARS coronavirus' . . Viruses . SARS coronavirus . . . . . . . . . . . . . 27169 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27169 _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 $GB1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . pET-25(+) . . . 27169 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_All_samples _Sample.Sf_category sample _Sample.Sf_framecode All_samples _Sample.Entry_ID 27169 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'potassium phosphate' 'natural abundance' . . . . . . 2 . . mM . . . . 27169 1 2 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 27169 1 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 27169 1 4 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 27169 1 5 GB1 '[U-13C; U-15N]' . . 1 $GB1 . . 4 . . mM . . . . 27169 1 stop_ save_ ####################### # Sample conditions # ####################### save_Condition_of_all_samples _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Condition_of_all_samples _Sample_condition_list.Entry_ID 27169 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; The condition described here were applied exactly the same for all samples deposited." ; 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' 250 . mM 27169 1 pH 7.0 . pH 27169 1 pressure 1 . atm 27169 1 temperature 298 . K 27169 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 27169 _Software.ID 1 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 27169 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27169 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27169 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27169 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 27169 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27169 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $All_samples isotropic . . 1 $Condition_of_all_samples . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27169 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $All_samples isotropic . . 1 $Condition_of_all_samples . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27169 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $All_samples isotropic . . 1 $Condition_of_all_samples . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27169 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $All_samples isotropic . . 1 $Condition_of_all_samples . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27169 1 5 '3D HNCACB' no . . . . . . . . . . 1 $All_samples isotropic . . 1 $Condition_of_all_samples . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27169 1 6 '3D HNCO' no . . . . . . . . . . 1 $All_samples isotropic . . 1 $Condition_of_all_samples . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27169 1 7 '3D HNCA' no . . . . . . . . . . 1 $All_samples isotropic . . 1 $Condition_of_all_samples . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27169 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $All_samples isotropic . . 1 $Condition_of_all_samples . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27169 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27169 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27169 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27169 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27169 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27169 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Condition_of_all_samples _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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' . . . 27169 1 4 '3D CBCA(CO)NH' . . . 27169 1 5 '3D HNCACB' . . . 27169 1 6 '3D HNCO' . . . 27169 1 7 '3D HNCA' . . . 27169 1 8 '3D HBHA(CO)NH' . . . 27169 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 1 1 MET HA H 1 4.206 0.020 . 1 . . . . . 1 MET HA . 27169 1 2 . 1 1 1 1 MET HB2 H 1 2.121 0.020 . 2 . . . . . 1 MET HB2 . 27169 1 3 . 1 1 1 1 MET HB3 H 1 2.247 0.020 . 2 . . . . . 1 MET HB3 . 27169 1 4 . 1 1 1 1 MET HG2 H 1 2.220 0.020 . 2 . . . . . 1 MET HG2 . 27169 1 5 . 1 1 1 1 MET HG3 H 1 2.442 0.020 . 2 . . . . . 1 MET HG3 . 27169 1 6 . 1 1 1 1 MET C C 13 171.018 0.3 . 1 . . . . . 1 MET C . 27169 1 7 . 1 1 1 1 MET CA C 13 54.816 0.3 . 1 . . . . . 1 MET CA . 27169 1 8 . 1 1 1 1 MET CB C 13 32.941 0.3 . 1 . . . . . 1 MET CB . 27169 1 9 . 1 1 1 1 MET CG C 13 30.877 0.3 . 1 . . . . . 1 MET CG . 27169 1 10 . 1 1 1 1 MET CE C 13 16.362 0.3 . 1 . . . . . 1 MET CE . 27169 1 11 . 1 1 3 3 GLN H H 1 8.402 0.020 . 1 . . . . . 2 GLN H . 27169 1 12 . 1 1 3 3 GLN HA H 1 5.016 0.020 . 1 . . . . . 2 GLN HA . 27169 1 13 . 1 1 3 3 GLN HB2 H 1 2.070 0.020 . 2 . . . . . 2 GLN HB2 . 27169 1 14 . 1 1 3 3 GLN HB3 H 1 2.015 0.020 . 2 . . . . . 2 GLN HB3 . 27169 1 15 . 1 1 3 3 GLN C C 13 174.963 0.3 . 1 . . . . . 2 GLN C . 27169 1 16 . 1 1 3 3 GLN CA C 13 56.060 0.3 . 1 . . . . . 2 GLN CA . 27169 1 17 . 1 1 3 3 GLN CB C 13 30.627 0.3 . 1 . . . . . 2 GLN CB . 27169 1 18 . 1 1 3 3 GLN N N 15 123.720 0.3 . 1 . . . . . 2 GLN N . 27169 1 19 . 1 1 4 4 TYR H H 1 9.137 0.020 . 1 . . . . . 3 TYR H . 27169 1 20 . 1 1 4 4 TYR HA H 1 5.410 0.020 . 1 . . . . . 3 TYR HA . 27169 1 21 . 1 1 4 4 TYR HB2 H 1 2.772 0.020 . 2 . . . . . 3 TYR HB2 . 27169 1 22 . 1 1 4 4 TYR HB3 H 1 3.442 0.020 . 2 . . . . . 3 TYR HB3 . 27169 1 23 . 1 1 4 4 TYR C C 13 174.861 0.3 . 1 . . . . . 3 TYR C . 27169 1 24 . 1 1 4 4 TYR CA C 13 57.284 0.3 . 1 . . . . . 3 TYR CA . 27169 1 25 . 1 1 4 4 TYR CB C 13 43.543 0.3 . 1 . . . . . 3 TYR CB . 27169 1 26 . 1 1 4 4 TYR CD1 C 13 133.604 0.3 . 1 . . . . . 3 TYR CD1 . 27169 1 27 . 1 1 4 4 TYR CD2 C 13 133.604 0.3 . 1 . . . . . 3 TYR CD2 . 27169 1 28 . 1 1 4 4 TYR CE1 C 13 118.091 0.3 . 1 . . . . . 3 TYR CE1 . 27169 1 29 . 1 1 4 4 TYR CE2 C 13 118.091 0.3 . 1 . . . . . 3 TYR CE2 . 27169 1 30 . 1 1 4 4 TYR N N 15 124.620 0.3 . 1 . . . . . 3 TYR N . 27169 1 31 . 1 1 5 5 LYS H H 1 9.132 0.020 . 1 . . . . . 4 LYS H . 27169 1 32 . 1 1 5 5 LYS HA H 1 5.259 0.020 . 1 . . . . . 4 LYS HA . 27169 1 33 . 1 1 5 5 LYS HB2 H 1 2.063 0.020 . 2 . . . . . 4 LYS HB2 . 27169 1 34 . 1 1 5 5 LYS HB3 H 1 1.925 0.020 . 2 . . . . . 4 LYS HB3 . 27169 1 35 . 1 1 5 5 LYS HG2 H 1 1.508 0.020 . 2 . . . . . 4 LYS HG2 . 27169 1 36 . 1 1 5 5 LYS HG3 H 1 1.371 0.020 . 2 . . . . . 4 LYS HG3 . 27169 1 37 . 1 1 5 5 LYS HE2 H 1 2.884 0.020 . 2 . . . . . 4 LYS HE2 . 27169 1 38 . 1 1 5 5 LYS HE3 H 1 2.804 0.020 . 2 . . . . . 4 LYS HE3 . 27169 1 39 . 1 1 5 5 LYS C C 13 172.888 0.3 . 1 . . . . . 4 LYS C . 27169 1 40 . 1 1 5 5 LYS CA C 13 55.073 0.3 . 1 . . . . . 4 LYS CA . 27169 1 41 . 1 1 5 5 LYS CB C 13 36.158 0.3 . 1 . . . . . 4 LYS CB . 27169 1 42 . 1 1 5 5 LYS CG C 13 25.626 0.3 . 1 . . . . . 4 LYS CG . 27169 1 43 . 1 1 5 5 LYS CD C 13 29.191 0.3 . 1 . . . . . 4 LYS CD . 27169 1 44 . 1 1 5 5 LYS CE C 13 42.078 0.3 . 1 . . . . . 4 LYS CE . 27169 1 45 . 1 1 5 5 LYS N N 15 122.384 0.3 . 1 . . . . . 4 LYS N . 27169 1 46 . 1 1 6 6 LEU H H 1 8.643 0.020 . 1 . . . . . 5 LEU H . 27169 1 47 . 1 1 6 6 LEU HA H 1 4.987 0.020 . 1 . . . . . 5 LEU HA . 27169 1 48 . 1 1 6 6 LEU HB2 H 1 0.776 0.020 . 2 . . . . . 5 LEU HB2 . 27169 1 49 . 1 1 6 6 LEU HB3 H 1 -1.128 0.020 . 2 . . . . . 5 LEU HB3 . 27169 1 50 . 1 1 6 6 LEU C C 13 174.688 0.3 . 1 . . . . . 5 LEU C . 27169 1 51 . 1 1 6 6 LEU CA C 13 52.866 0.3 . 1 . . . . . 5 LEU CA . 27169 1 52 . 1 1 6 6 LEU CB C 13 42.593 0.3 . 1 . . . . . 5 LEU CB . 27169 1 53 . 1 1 6 6 LEU CD1 C 13 24.611 0.3 . 1 . . . . . 5 LEU CD1 . 27169 1 54 . 1 1 6 6 LEU CD2 C 13 24.610 0.3 . 1 . . . . . 5 LEU CD2 . 27169 1 55 . 1 1 6 6 LEU N N 15 126.489 0.3 . 1 . . . . . 5 LEU N . 27169 1 56 . 1 1 7 7 ILE H H 1 9.116 0.020 . 1 . . . . . 6 ILE H . 27169 1 57 . 1 1 7 7 ILE HA H 1 4.360 0.020 . 1 . . . . . 6 ILE HA . 27169 1 58 . 1 1 7 7 ILE HB H 1 1.991 0.020 . 1 . . . . . 6 ILE HB . 27169 1 59 . 1 1 7 7 ILE HG12 H 1 1.122 0.020 . 2 . . . . . 6 ILE HG12 . 27169 1 60 . 1 1 7 7 ILE HG13 H 1 1.434 0.020 . 2 . . . . . 6 ILE HG13 . 27169 1 61 . 1 1 7 7 ILE C C 13 174.782 0.3 . 1 . . . . . 6 ILE C . 27169 1 62 . 1 1 7 7 ILE CA C 13 60.178 0.3 . 1 . . . . . 6 ILE CA . 27169 1 63 . 1 1 7 7 ILE CB C 13 38.209 0.3 . 1 . . . . . 6 ILE CB . 27169 1 64 . 1 1 7 7 ILE CG1 C 13 27.362 0.3 . 1 . . . . . 6 ILE CG1 . 27169 1 65 . 1 1 7 7 ILE CG2 C 13 17.070 0.3 . 1 . . . . . 6 ILE CG2 . 27169 1 66 . 1 1 7 7 ILE CD1 C 13 12.653 0.3 . 1 . . . . . 6 ILE CD1 . 27169 1 67 . 1 1 7 7 ILE N N 15 126.274 0.3 . 1 . . . . . 6 ILE N . 27169 1 68 . 1 1 8 8 LEU H H 1 8.734 0.020 . 1 . . . . . 7 LEU H . 27169 1 69 . 1 1 8 8 LEU HA H 1 4.531 0.020 . 1 . . . . . 7 LEU HA . 27169 1 70 . 1 1 8 8 LEU HB2 H 1 1.375 0.020 . 2 . . . . . 7 LEU HB2 . 27169 1 71 . 1 1 8 8 LEU HB3 H 1 1.470 0.020 . 2 . . . . . 7 LEU HB3 . 27169 1 72 . 1 1 8 8 LEU HG H 1 1.470 0.020 . 1 . . . . . 7 LEU HG . 27169 1 73 . 1 1 8 8 LEU C C 13 174.998 0.3 . 1 . . . . . 7 LEU C . 27169 1 74 . 1 1 8 8 LEU CA C 13 54.638 0.3 . 1 . . . . . 7 LEU CA . 27169 1 75 . 1 1 8 8 LEU CB C 13 42.317 0.3 . 1 . . . . . 7 LEU CB . 27169 1 76 . 1 1 8 8 LEU CG C 13 25.788 0.3 . 1 . . . . . 7 LEU CG . 27169 1 77 . 1 1 8 8 LEU CD1 C 13 25.887 0.3 . 1 . . . . . 7 LEU CD1 . 27169 1 78 . 1 1 8 8 LEU CD2 C 13 25.890 0.3 . 1 . . . . . 7 LEU CD2 . 27169 1 79 . 1 1 8 8 LEU N N 15 125.663 0.3 . 1 . . . . . 7 LEU N . 27169 1 80 . 1 1 9 9 ASN H H 1 8.874 0.020 . 1 . . . . . 8 ASN H . 27169 1 81 . 1 1 9 9 ASN HA H 1 5.281 0.020 . 1 . . . . . 8 ASN HA . 27169 1 82 . 1 1 9 9 ASN HB2 H 1 2.996 0.020 . 2 . . . . . 8 ASN HB2 . 27169 1 83 . 1 1 9 9 ASN HB3 H 1 2.556 0.020 . 2 . . . . . 8 ASN HB3 . 27169 1 84 . 1 1 9 9 ASN HD21 H 1 7.156 0.020 . 1 . . . . . 8 ASN HD21 . 27169 1 85 . 1 1 9 9 ASN HD22 H 1 6.793 0.020 . 1 . . . . . 8 ASN HD22 . 27169 1 86 . 1 1 9 9 ASN C C 13 175.409 0.3 . 1 . . . . . 8 ASN C . 27169 1 87 . 1 1 9 9 ASN CA C 13 51.258 0.3 . 1 . . . . . 8 ASN CA . 27169 1 88 . 1 1 9 9 ASN CB C 13 38.141 0.3 . 1 . . . . . 8 ASN CB . 27169 1 89 . 1 1 9 9 ASN N N 15 125.618 0.3 . 1 . . . . . 8 ASN N . 27169 1 90 . 1 1 9 9 ASN ND2 N 15 111.305 0.3 . 1 . . . . . 8 ASN ND2 . 27169 1 91 . 1 1 10 10 GLY H H 1 7.981 0.020 . 1 . . . . . 9 GLY H . 27169 1 92 . 1 1 10 10 GLY HA2 H 1 4.498 0.020 . 2 . . . . . 9 GLY HA2 . 27169 1 93 . 1 1 10 10 GLY HA3 H 1 4.062 0.020 . 2 . . . . . 9 GLY HA3 . 27169 1 94 . 1 1 10 10 GLY C C 13 173.480 0.3 . 1 . . . . . 9 GLY C . 27169 1 95 . 1 1 10 10 GLY CA C 13 44.687 0.3 . 1 . . . . . 9 GLY CA . 27169 1 96 . 1 1 10 10 GLY N N 15 109.799 0.3 . 1 . . . . . 9 GLY N . 27169 1 97 . 1 1 11 11 LYS H H 1 9.325 0.020 . 1 . . . . . 10 LYS H . 27169 1 98 . 1 1 11 11 LYS HA H 1 4.075 0.020 . 1 . . . . . 10 LYS HA . 27169 1 99 . 1 1 11 11 LYS HD2 H 1 2.068 0.020 . 2 . . . . . 10 LYS HD2 . 27169 1 100 . 1 1 11 11 LYS HD3 H 1 2.205 0.020 . 2 . . . . . 10 LYS HD3 . 27169 1 101 . 1 1 11 11 LYS C C 13 178.827 0.3 . 1 . . . . . 10 LYS C . 27169 1 102 . 1 1 11 11 LYS CA C 13 59.162 0.3 . 1 . . . . . 10 LYS CA . 27169 1 103 . 1 1 11 11 LYS CB C 13 32.558 0.3 . 1 . . . . . 10 LYS CB . 27169 1 104 . 1 1 11 11 LYS CG C 13 25.217 0.3 . 1 . . . . . 10 LYS CG . 27169 1 105 . 1 1 11 11 LYS CD C 13 31.843 0.3 . 1 . . . . . 10 LYS CD . 27169 1 106 . 1 1 11 11 LYS N N 15 121.268 0.3 . 1 . . . . . 10 LYS N . 27169 1 107 . 1 1 12 12 THR H H 1 8.862 0.020 . 1 . . . . . 11 THR H . 27169 1 108 . 1 1 12 12 THR HA H 1 4.407 0.020 . 1 . . . . . 11 THR HA . 27169 1 109 . 1 1 12 12 THR HB H 1 4.258 0.020 . 1 . . . . . 11 THR HB . 27169 1 110 . 1 1 12 12 THR C C 13 173.926 0.3 . 1 . . . . . 11 THR C . 27169 1 111 . 1 1 12 12 THR CA C 13 61.945 0.3 . 1 . . . . . 11 THR CA . 27169 1 112 . 1 1 12 12 THR CB C 13 69.700 0.3 . 1 . . . . . 11 THR CB . 27169 1 113 . 1 1 12 12 THR CG2 C 13 21.840 0.3 . 1 . . . . . 11 THR CG2 . 27169 1 114 . 1 1 12 12 THR N N 15 108.853 0.3 . 1 . . . . . 11 THR N . 27169 1 115 . 1 1 13 13 LEU H H 1 7.369 0.020 . 1 . . . . . 12 LEU H . 27169 1 116 . 1 1 13 13 LEU HA H 1 4.482 0.020 . 1 . . . . . 12 LEU HA . 27169 1 117 . 1 1 13 13 LEU HB2 H 1 1.579 0.020 . 2 . . . . . 12 LEU HB2 . 27169 1 118 . 1 1 13 13 LEU HB3 H 1 1.453 0.020 . 2 . . . . . 12 LEU HB3 . 27169 1 119 . 1 1 13 13 LEU HG H 1 1.440 0.020 . 1 . . . . . 12 LEU HG . 27169 1 120 . 1 1 13 13 LEU C C 13 173.449 0.3 . 1 . . . . . 12 LEU C . 27169 1 121 . 1 1 13 13 LEU CA C 13 55.136 0.3 . 1 . . . . . 12 LEU CA . 27169 1 122 . 1 1 13 13 LEU CB C 13 43.406 0.3 . 1 . . . . . 12 LEU CB . 27169 1 123 . 1 1 13 13 LEU CG C 13 27.336 0.3 . 1 . . . . . 12 LEU CG . 27169 1 124 . 1 1 13 13 LEU CD1 C 13 25.427 0.3 . 1 . . . . . 12 LEU CD1 . 27169 1 125 . 1 1 13 13 LEU CD2 C 13 24.053 0.3 . 1 . . . . . 12 LEU CD2 . 27169 1 126 . 1 1 13 13 LEU N N 15 125.102 0.3 . 1 . . . . . 12 LEU N . 27169 1 127 . 1 1 14 14 LYS H H 1 8.154 0.020 . 1 . . . . . 13 LYS H . 27169 1 128 . 1 1 14 14 LYS HA H 1 5.167 0.020 . 1 . . . . . 13 LYS HA . 27169 1 129 . 1 1 14 14 LYS HB2 H 1 1.926 0.020 . 2 . . . . . 13 LYS HB2 . 27169 1 130 . 1 1 14 14 LYS HB3 H 1 1.759 0.020 . 2 . . . . . 13 LYS HB3 . 27169 1 131 . 1 1 14 14 LYS C C 13 176.483 0.3 . 1 . . . . . 13 LYS C . 27169 1 132 . 1 1 14 14 LYS CA C 13 54.001 0.3 . 1 . . . . . 13 LYS CA . 27169 1 133 . 1 1 14 14 LYS CB C 13 34.686 0.3 . 1 . . . . . 13 LYS CB . 27169 1 134 . 1 1 14 14 LYS CG C 13 25.205 0.3 . 1 . . . . . 13 LYS CG . 27169 1 135 . 1 1 14 14 LYS CE C 13 41.983 0.3 . 1 . . . . . 13 LYS CE . 27169 1 136 . 1 1 14 14 LYS N N 15 124.018 0.3 . 1 . . . . . 13 LYS N . 27169 1 137 . 1 1 15 15 GLY H H 1 8.451 0.020 . 1 . . . . . 14 GLY H . 27169 1 138 . 1 1 15 15 GLY HA2 H 1 4.317 0.020 . 2 . . . . . 14 GLY HA2 . 27169 1 139 . 1 1 15 15 GLY HA3 H 1 4.178 0.020 . 2 . . . . . 14 GLY HA3 . 27169 1 140 . 1 1 15 15 GLY C C 13 171.397 0.3 . 1 . . . . . 14 GLY C . 27169 1 141 . 1 1 15 15 GLY CA C 13 45.135 0.3 . 1 . . . . . 14 GLY CA . 27169 1 142 . 1 1 15 15 GLY N N 15 109.549 0.3 . 1 . . . . . 14 GLY N . 27169 1 143 . 1 1 16 16 GLU H H 1 8.432 0.020 . 1 . . . . . 15 GLU H . 27169 1 144 . 1 1 16 16 GLU HA H 1 5.643 0.020 . 1 . . . . . 15 GLU HA . 27169 1 145 . 1 1 16 16 GLU HB2 H 1 1.950 0.020 . 2 . . . . . 15 GLU HB2 . 27169 1 146 . 1 1 16 16 GLU HB3 H 1 2.047 0.020 . 2 . . . . . 15 GLU HB3 . 27169 1 147 . 1 1 16 16 GLU C C 13 175.397 0.3 . 1 . . . . . 15 GLU C . 27169 1 148 . 1 1 16 16 GLU CA C 13 54.608 0.3 . 1 . . . . . 15 GLU CA . 27169 1 149 . 1 1 16 16 GLU CB C 13 33.783 0.3 . 1 . . . . . 15 GLU CB . 27169 1 150 . 1 1 16 16 GLU CG C 13 35.869 0.3 . 1 . . . . . 15 GLU CG . 27169 1 151 . 1 1 16 16 GLU N N 15 118.678 0.3 . 1 . . . . . 15 GLU N . 27169 1 152 . 1 1 17 17 THR H H 1 8.798 0.020 . 1 . . . . . 16 THR H . 27169 1 153 . 1 1 17 17 THR HA H 1 4.759 0.020 . 1 . . . . . 16 THR HA . 27169 1 154 . 1 1 17 17 THR HB H 1 3.920 0.020 . 1 . . . . . 16 THR HB . 27169 1 155 . 1 1 17 17 THR C C 13 172.065 0.3 . 1 . . . . . 16 THR C . 27169 1 156 . 1 1 17 17 THR CA C 13 60.610 0.3 . 1 . . . . . 16 THR CA . 27169 1 157 . 1 1 17 17 THR CB C 13 69.465 0.3 . 1 . . . . . 16 THR CB . 27169 1 158 . 1 1 17 17 THR CG2 C 13 19.092 0.3 . 1 . . . . . 16 THR CG2 . 27169 1 159 . 1 1 17 17 THR N N 15 115.973 0.3 . 1 . . . . . 16 THR N . 27169 1 160 . 1 1 18 18 THR H H 1 8.098 0.020 . 1 . . . . . 17 THR H . 27169 1 161 . 1 1 18 18 THR HA H 1 5.846 0.020 . 1 . . . . . 17 THR HA . 27169 1 162 . 1 1 18 18 THR HB H 1 4.336 0.020 . 1 . . . . . 17 THR HB . 27169 1 163 . 1 1 18 18 THR C C 13 174.153 0.3 . 1 . . . . . 17 THR C . 27169 1 164 . 1 1 18 18 THR CA C 13 59.817 0.3 . 1 . . . . . 17 THR CA . 27169 1 165 . 1 1 18 18 THR CB C 13 73.345 0.3 . 1 . . . . . 17 THR CB . 27169 1 166 . 1 1 18 18 THR CG2 C 13 21.397 0.3 . 1 . . . . . 17 THR CG2 . 27169 1 167 . 1 1 18 18 THR N N 15 111.868 0.3 . 1 . . . . . 17 THR N . 27169 1 168 . 1 1 19 19 THR H H 1 9.015 0.020 . 1 . . . . . 18 THR H . 27169 1 169 . 1 1 19 19 THR HA H 1 4.703 0.020 . 1 . . . . . 18 THR HA . 27169 1 170 . 1 1 19 19 THR HB H 1 3.873 0.020 . 1 . . . . . 18 THR HB . 27169 1 171 . 1 1 19 19 THR C C 13 170.704 0.3 . 1 . . . . . 18 THR C . 27169 1 172 . 1 1 19 19 THR CA C 13 62.366 0.3 . 1 . . . . . 18 THR CA . 27169 1 173 . 1 1 19 19 THR CB C 13 70.013 0.3 . 1 . . . . . 18 THR CB . 27169 1 174 . 1 1 19 19 THR CG2 C 13 19.066 0.3 . 1 . . . . . 18 THR CG2 . 27169 1 175 . 1 1 19 19 THR N N 15 114.743 0.3 . 1 . . . . . 18 THR N . 27169 1 176 . 1 1 20 20 GLU H H 1 7.978 0.020 . 1 . . . . . 19 GLU H . 27169 1 177 . 1 1 20 20 GLU HA H 1 5.198 0.020 . 1 . . . . . 19 GLU HA . 27169 1 178 . 1 1 20 20 GLU HG2 H 1 2.074 0.020 . 2 . . . . . 19 GLU HG2 . 27169 1 179 . 1 1 20 20 GLU HG3 H 1 2.322 0.020 . 2 . . . . . 19 GLU HG3 . 27169 1 180 . 1 1 20 20 GLU C C 13 175.880 0.3 . 1 . . . . . 19 GLU C . 27169 1 181 . 1 1 20 20 GLU CA C 13 54.355 0.3 . 1 . . . . . 19 GLU CA . 27169 1 182 . 1 1 20 20 GLU CB C 13 30.194 0.3 . 1 . . . . . 19 GLU CB . 27169 1 183 . 1 1 20 20 GLU CG C 13 35.596 0.3 . 1 . . . . . 19 GLU CG . 27169 1 184 . 1 1 20 20 GLU N N 15 126.111 0.3 . 1 . . . . . 19 GLU N . 27169 1 185 . 1 1 21 21 ALA H H 1 9.360 0.020 . 1 . . . . . 20 ALA H . 27169 1 186 . 1 1 21 21 ALA HA H 1 4.974 0.020 . 1 . . . . . 20 ALA HA . 27169 1 187 . 1 1 21 21 ALA C C 13 177.674 0.3 . 1 . . . . . 20 ALA C . 27169 1 188 . 1 1 21 21 ALA CA C 13 50.803 0.3 . 1 . . . . . 20 ALA CA . 27169 1 189 . 1 1 21 21 ALA CB C 13 23.693 0.3 . 1 . . . . . 20 ALA CB . 27169 1 190 . 1 1 21 21 ALA N N 15 127.483 0.3 . 1 . . . . . 20 ALA N . 27169 1 191 . 1 1 22 22 VAL H H 1 8.527 0.020 . 1 . . . . . 21 VAL H . 27169 1 192 . 1 1 22 22 VAL HA H 1 4.139 0.020 . 1 . . . . . 21 VAL HA . 27169 1 193 . 1 1 22 22 VAL HB H 1 2.223 0.020 . 1 . . . . . 21 VAL HB . 27169 1 194 . 1 1 22 22 VAL C C 13 175.118 0.3 . 1 . . . . . 21 VAL C . 27169 1 195 . 1 1 22 22 VAL CA C 13 63.483 0.3 . 1 . . . . . 21 VAL CA . 27169 1 196 . 1 1 22 22 VAL CB C 13 31.975 0.3 . 1 . . . . . 21 VAL CB . 27169 1 197 . 1 1 22 22 VAL CG1 C 13 19.886 0.3 . 1 . . . . . 21 VAL CG1 . 27169 1 198 . 1 1 22 22 VAL CG2 C 13 20.884 0.3 . 1 . . . . . 21 VAL CG2 . 27169 1 199 . 1 1 22 22 VAL N N 15 115.819 0.3 . 1 . . . . . 21 VAL N . 27169 1 200 . 1 1 23 23 ASP H H 1 7.363 0.020 . 1 . . . . . 22 ASP H . 27169 1 201 . 1 1 23 23 ASP HA H 1 4.769 0.020 . 1 . . . . . 22 ASP HA . 27169 1 202 . 1 1 23 23 ASP HB2 H 1 3.018 0.020 . 2 . . . . . 22 ASP HB2 . 27169 1 203 . 1 1 23 23 ASP HB3 H 1 3.073 0.020 . 2 . . . . . 22 ASP HB3 . 27169 1 204 . 1 1 23 23 ASP C C 13 174.779 0.3 . 1 . . . . . 22 ASP C . 27169 1 205 . 1 1 23 23 ASP CA C 13 52.569 0.3 . 1 . . . . . 22 ASP CA . 27169 1 206 . 1 1 23 23 ASP CB C 13 42.107 0.3 . 1 . . . . . 22 ASP CB . 27169 1 207 . 1 1 23 23 ASP N N 15 115.259 0.3 . 1 . . . . . 22 ASP N . 27169 1 208 . 1 1 24 24 ALA H H 1 8.317 0.020 . 1 . . . . . 23 ALA H . 27169 1 209 . 1 1 24 24 ALA HA H 1 3.344 0.020 . 1 . . . . . 23 ALA HA . 27169 1 210 . 1 1 24 24 ALA C C 13 179.277 0.3 . 1 . . . . . 23 ALA C . 27169 1 211 . 1 1 24 24 ALA CA C 13 54.562 0.3 . 1 . . . . . 23 ALA CA . 27169 1 212 . 1 1 24 24 ALA CB C 13 17.414 0.3 . 1 . . . . . 23 ALA CB . 27169 1 213 . 1 1 24 24 ALA N N 15 121.433 0.3 . 1 . . . . . 23 ALA N . 27169 1 214 . 1 1 25 25 ALA H H 1 8.080 0.020 . 1 . . . . . 24 ALA H . 27169 1 215 . 1 1 25 25 ALA HA H 1 3.999 0.020 . 1 . . . . . 24 ALA HA . 27169 1 216 . 1 1 25 25 ALA C C 13 180.984 0.3 . 1 . . . . . 24 ALA C . 27169 1 217 . 1 1 25 25 ALA CA C 13 54.724 0.3 . 1 . . . . . 24 ALA CA . 27169 1 218 . 1 1 25 25 ALA CB C 13 17.858 0.3 . 1 . . . . . 24 ALA CB . 27169 1 219 . 1 1 25 25 ALA N N 15 120.626 0.3 . 1 . . . . . 24 ALA N . 27169 1 220 . 1 1 26 26 THR H H 1 8.306 0.020 . 1 . . . . . 25 THR H . 27169 1 221 . 1 1 26 26 THR HA H 1 3.730 0.020 . 1 . . . . . 25 THR HA . 27169 1 222 . 1 1 26 26 THR HB H 1 4.049 0.020 . 1 . . . . . 25 THR HB . 27169 1 223 . 1 1 26 26 THR C C 13 176.171 0.3 . 1 . . . . . 25 THR C . 27169 1 224 . 1 1 26 26 THR CA C 13 66.855 0.3 . 1 . . . . . 25 THR CA . 27169 1 225 . 1 1 26 26 THR CB C 13 67.862 0.3 . 1 . . . . . 25 THR CB . 27169 1 226 . 1 1 26 26 THR CG2 C 13 21.010 0.3 . 1 . . . . . 25 THR CG2 . 27169 1 227 . 1 1 26 26 THR N N 15 116.439 0.3 . 1 . . . . . 25 THR N . 27169 1 228 . 1 1 27 27 ALA H H 1 7.183 0.020 . 1 . . . . . 26 ALA H . 27169 1 229 . 1 1 27 27 ALA HA H 1 3.105 0.020 . 1 . . . . . 26 ALA HA . 27169 1 230 . 1 1 27 27 ALA C C 13 177.162 0.3 . 1 . . . . . 26 ALA C . 27169 1 231 . 1 1 27 27 ALA CA C 13 54.808 0.3 . 1 . . . . . 26 ALA CA . 27169 1 232 . 1 1 27 27 ALA CB C 13 17.457 0.3 . 1 . . . . . 26 ALA CB . 27169 1 233 . 1 1 27 27 ALA N N 15 123.720 0.3 . 1 . . . . . 26 ALA N . 27169 1 234 . 1 1 28 28 GLU H H 1 8.367 0.020 . 1 . . . . . 27 GLU H . 27169 1 235 . 1 1 28 28 GLU HA H 1 2.648 0.020 . 1 . . . . . 27 GLU HA . 27169 1 236 . 1 1 28 28 GLU HB2 H 1 1.974 0.020 . 2 . . . . . 27 GLU HB2 . 27169 1 237 . 1 1 28 28 GLU HB3 H 1 1.853 0.020 . 2 . . . . . 27 GLU HB3 . 27169 1 238 . 1 1 28 28 GLU C C 13 177.383 0.3 . 1 . . . . . 27 GLU C . 27169 1 239 . 1 1 28 28 GLU CA C 13 59.633 0.3 . 1 . . . . . 27 GLU CA . 27169 1 240 . 1 1 28 28 GLU CB C 13 29.254 0.3 . 1 . . . . . 27 GLU CB . 27169 1 241 . 1 1 28 28 GLU CG C 13 35.780 0.3 . 1 . . . . . 27 GLU CG . 27169 1 242 . 1 1 28 28 GLU N N 15 116.706 0.3 . 1 . . . . . 27 GLU N . 27169 1 243 . 1 1 29 29 LYS H H 1 6.977 0.020 . 1 . . . . . 28 LYS H . 27169 1 244 . 1 1 29 29 LYS HA H 1 3.750 0.020 . 1 . . . . . 28 LYS HA . 27169 1 245 . 1 1 29 29 LYS HG2 H 1 1.569 0.020 . 2 . . . . . 28 LYS HG2 . 27169 1 246 . 1 1 29 29 LYS HG3 H 1 1.349 0.020 . 2 . . . . . 28 LYS HG3 . 27169 1 247 . 1 1 29 29 LYS C C 13 180.075 0.3 . 1 . . . . . 28 LYS C . 27169 1 248 . 1 1 29 29 LYS CA C 13 59.703 0.3 . 1 . . . . . 28 LYS CA . 27169 1 249 . 1 1 29 29 LYS CB C 13 32.232 0.3 . 1 . . . . . 28 LYS CB . 27169 1 250 . 1 1 29 29 LYS CG C 13 25.046 0.3 . 1 . . . . . 28 LYS CG . 27169 1 251 . 1 1 29 29 LYS CD C 13 29.247 0.3 . 1 . . . . . 28 LYS CD . 27169 1 252 . 1 1 29 29 LYS CE C 13 42.043 0.3 . 1 . . . . . 28 LYS CE . 27169 1 253 . 1 1 29 29 LYS N N 15 116.644 0.3 . 1 . . . . . 28 LYS N . 27169 1 254 . 1 1 30 30 VAL H H 1 7.343 0.020 . 1 . . . . . 29 VAL H . 27169 1 255 . 1 1 30 30 VAL HA H 1 3.650 0.020 . 1 . . . . . 29 VAL HA . 27169 1 256 . 1 1 30 30 VAL HB H 1 1.769 0.020 . 1 . . . . . 29 VAL HB . 27169 1 257 . 1 1 30 30 VAL C C 13 179.881 0.3 . 1 . . . . . 29 VAL C . 27169 1 258 . 1 1 30 30 VAL CA C 13 65.967 0.3 . 1 . . . . . 29 VAL CA . 27169 1 259 . 1 1 30 30 VAL CB C 13 31.724 0.3 . 1 . . . . . 29 VAL CB . 27169 1 260 . 1 1 30 30 VAL CG1 C 13 20.311 0.3 . 1 . . . . . 29 VAL CG1 . 27169 1 261 . 1 1 30 30 VAL CG2 C 13 21.684 0.3 . 1 . . . . . 29 VAL CG2 . 27169 1 262 . 1 1 30 30 VAL N N 15 120.679 0.3 . 1 . . . . . 29 VAL N . 27169 1 263 . 1 1 31 31 PHE H H 1 8.552 0.020 . 1 . . . . . 30 PHE H . 27169 1 264 . 1 1 31 31 PHE HA H 1 4.801 0.020 . 1 . . . . . 30 PHE HA . 27169 1 265 . 1 1 31 31 PHE HB2 H 1 3.363 0.020 . 2 . . . . . 30 PHE HB2 . 27169 1 266 . 1 1 31 31 PHE HB3 H 1 2.871 0.020 . 2 . . . . . 30 PHE HB3 . 27169 1 267 . 1 1 31 31 PHE C C 13 178.398 0.3 . 1 . . . . . 30 PHE C . 27169 1 268 . 1 1 31 31 PHE CA C 13 56.551 0.3 . 1 . . . . . 30 PHE CA . 27169 1 269 . 1 1 31 31 PHE CB C 13 37.357 0.3 . 1 . . . . . 30 PHE CB . 27169 1 270 . 1 1 31 31 PHE N N 15 120.737 0.3 . 1 . . . . . 30 PHE N . 27169 1 271 . 1 1 32 32 LYS H H 1 9.131 0.020 . 1 . . . . . 31 LYS H . 27169 1 272 . 1 1 32 32 LYS HA H 1 4.197 0.020 . 1 . . . . . 31 LYS HA . 27169 1 273 . 1 1 32 32 LYS HB2 H 1 1.694 0.020 . 2 . . . . . 31 LYS HB2 . 27169 1 274 . 1 1 32 32 LYS HB3 H 1 1.592 0.020 . 2 . . . . . 31 LYS HB3 . 27169 1 275 . 1 1 32 32 LYS HG2 H 1 0.512 0.020 . 2 . . . . . 31 LYS HG2 . 27169 1 276 . 1 1 32 32 LYS HG3 H 1 0.846 0.020 . 2 . . . . . 31 LYS HG3 . 27169 1 277 . 1 1 32 32 LYS HD2 H 1 1.142 0.020 . 2 . . . . . 31 LYS HD2 . 27169 1 278 . 1 1 32 32 LYS HD3 H 1 1.071 0.020 . 2 . . . . . 31 LYS HD3 . 27169 1 279 . 1 1 32 32 LYS C C 13 179.634 0.3 . 1 . . . . . 31 LYS C . 27169 1 280 . 1 1 32 32 LYS CA C 13 59.841 0.3 . 1 . . . . . 31 LYS CA . 27169 1 281 . 1 1 32 32 LYS CB C 13 31.552 0.3 . 1 . . . . . 31 LYS CB . 27169 1 282 . 1 1 32 32 LYS CG C 13 25.795 0.3 . 1 . . . . . 31 LYS CG . 27169 1 283 . 1 1 32 32 LYS CD C 13 28.817 0.3 . 1 . . . . . 31 LYS CD . 27169 1 284 . 1 1 32 32 LYS N N 15 122.952 0.3 . 1 . . . . . 31 LYS N . 27169 1 285 . 1 1 33 33 GLN H H 1 7.463 0.020 . 1 . . . . . 32 GLN H . 27169 1 286 . 1 1 33 33 GLN HA H 1 4.071 0.020 . 1 . . . . . 32 GLN HA . 27169 1 287 . 1 1 33 33 GLN HB2 H 1 2.238 0.020 . 2 . . . . . 32 GLN HB2 . 27169 1 288 . 1 1 33 33 GLN HB3 H 1 2.282 0.020 . 2 . . . . . 32 GLN HB3 . 27169 1 289 . 1 1 33 33 GLN HE21 H 1 7.972 0.020 . 1 . . . . . 32 GLN HE21 . 27169 1 290 . 1 1 33 33 GLN HE22 H 1 6.911 0.020 . 1 . . . . . 32 GLN HE22 . 27169 1 291 . 1 1 33 33 GLN C C 13 177.104 0.3 . 1 . . . . . 32 GLN C . 27169 1 292 . 1 1 33 33 GLN CA C 13 58.644 0.3 . 1 . . . . . 32 GLN CA . 27169 1 293 . 1 1 33 33 GLN CB C 13 28.172 0.3 . 1 . . . . . 32 GLN CB . 27169 1 294 . 1 1 33 33 GLN CG C 13 33.402 0.3 . 1 . . . . . 32 GLN CG . 27169 1 295 . 1 1 33 33 GLN N N 15 119.636 0.3 . 1 . . . . . 32 GLN N . 27169 1 296 . 1 1 33 33 GLN NE2 N 15 115.404 0.3 . 1 . . . . . 32 GLN NE2 . 27169 1 297 . 1 1 34 34 TYR H H 1 8.295 0.020 . 1 . . . . . 33 TYR H . 27169 1 298 . 1 1 34 34 TYR HA H 1 4.297 0.020 . 1 . . . . . 33 TYR HA . 27169 1 299 . 1 1 34 34 TYR C C 13 179.085 0.3 . 1 . . . . . 33 TYR C . 27169 1 300 . 1 1 34 34 TYR CA C 13 61.992 0.3 . 1 . . . . . 33 TYR CA . 27169 1 301 . 1 1 34 34 TYR CB C 13 38.591 0.3 . 1 . . . . . 33 TYR CB . 27169 1 302 . 1 1 34 34 TYR CD1 C 13 132.769 0.3 . 1 . . . . . 33 TYR CD1 . 27169 1 303 . 1 1 34 34 TYR CD2 C 13 132.769 0.3 . 1 . . . . . 33 TYR CD2 . 27169 1 304 . 1 1 34 34 TYR CE1 C 13 118.300 0.3 . 1 . . . . . 33 TYR CE1 . 27169 1 305 . 1 1 34 34 TYR CE2 C 13 118.300 0.3 . 1 . . . . . 33 TYR CE2 . 27169 1 306 . 1 1 34 34 TYR N N 15 121.075 0.3 . 1 . . . . . 33 TYR N . 27169 1 307 . 1 1 35 35 ALA H H 1 9.230 0.020 . 1 . . . . . 34 ALA H . 27169 1 308 . 1 1 35 35 ALA HA H 1 3.842 0.020 . 1 . . . . . 34 ALA HA . 27169 1 309 . 1 1 35 35 ALA C C 13 179.376 0.3 . 1 . . . . . 34 ALA C . 27169 1 310 . 1 1 35 35 ALA CA C 13 56.244 0.3 . 1 . . . . . 34 ALA CA . 27169 1 311 . 1 1 35 35 ALA CB C 13 17.872 0.3 . 1 . . . . . 34 ALA CB . 27169 1 312 . 1 1 35 35 ALA N N 15 122.650 0.3 . 1 . . . . . 34 ALA N . 27169 1 313 . 1 1 36 36 ASN H H 1 8.272 0.020 . 1 . . . . . 35 ASN H . 27169 1 314 . 1 1 36 36 ASN HA H 1 4.453 0.020 . 1 . . . . . 35 ASN HA . 27169 1 315 . 1 1 36 36 ASN HD21 H 1 7.648 0.020 . 1 . . . . . 35 ASN HD21 . 27169 1 316 . 1 1 36 36 ASN HD22 H 1 7.000 0.020 . 1 . . . . . 35 ASN HD22 . 27169 1 317 . 1 1 36 36 ASN C C 13 179.425 0.3 . 1 . . . . . 35 ASN C . 27169 1 318 . 1 1 36 36 ASN CA C 13 57.002 0.3 . 1 . . . . . 35 ASN CA . 27169 1 319 . 1 1 36 36 ASN CB C 13 38.814 0.3 . 1 . . . . . 35 ASN CB . 27169 1 320 . 1 1 36 36 ASN N N 15 117.649 0.3 . 1 . . . . . 35 ASN N . 27169 1 321 . 1 1 36 36 ASN ND2 N 15 112.308 0.3 . 1 . . . . . 35 ASN ND2 . 27169 1 322 . 1 1 37 37 ASP H H 1 8.980 0.020 . 1 . . . . . 36 ASP H . 27169 1 323 . 1 1 37 37 ASP HA H 1 4.389 0.020 . 1 . . . . . 36 ASP HA . 27169 1 324 . 1 1 37 37 ASP HB2 H 1 2.742 0.020 . 2 . . . . . 36 ASP HB2 . 27169 1 325 . 1 1 37 37 ASP HB3 H 1 2.590 0.020 . 2 . . . . . 36 ASP HB3 . 27169 1 326 . 1 1 37 37 ASP C C 13 177.194 0.3 . 1 . . . . . 36 ASP C . 27169 1 327 . 1 1 37 37 ASP CA C 13 56.892 0.3 . 1 . . . . . 36 ASP CA . 27169 1 328 . 1 1 37 37 ASP CB C 13 39.986 0.3 . 1 . . . . . 36 ASP CB . 27169 1 329 . 1 1 37 37 ASP N N 15 121.500 0.3 . 1 . . . . . 36 ASP N . 27169 1 330 . 1 1 38 38 ASN H H 1 7.426 0.020 . 1 . . . . . 37 ASN H . 27169 1 331 . 1 1 38 38 ASN HA H 1 4.632 0.020 . 1 . . . . . 37 ASN HA . 27169 1 332 . 1 1 38 38 ASN HB2 H 1 2.722 0.020 . 2 . . . . . 37 ASN HB2 . 27169 1 333 . 1 1 38 38 ASN HB3 H 1 2.131 0.020 . 2 . . . . . 37 ASN HB3 . 27169 1 334 . 1 1 38 38 ASN HD21 H 1 6.674 0.020 . 1 . . . . . 37 ASN HD21 . 27169 1 335 . 1 1 38 38 ASN HD22 H 1 6.296 0.020 . 1 . . . . . 37 ASN HD22 . 27169 1 336 . 1 1 38 38 ASN C C 13 174.058 0.3 . 1 . . . . . 37 ASN C . 27169 1 337 . 1 1 38 38 ASN CA C 13 53.788 0.3 . 1 . . . . . 37 ASN CA . 27169 1 338 . 1 1 38 38 ASN CB C 13 39.992 0.3 . 1 . . . . . 37 ASN CB . 27169 1 339 . 1 1 38 38 ASN N N 15 115.437 0.3 . 1 . . . . . 37 ASN N . 27169 1 340 . 1 1 38 38 ASN ND2 N 15 114.912 0.3 . 1 . . . . . 37 ASN ND2 . 27169 1 341 . 1 1 39 39 GLY H H 1 7.834 0.020 . 1 . . . . . 38 GLY H . 27169 1 342 . 1 1 39 39 GLY C C 13 174.258 0.3 . 1 . . . . . 38 GLY C . 27169 1 343 . 1 1 39 39 GLY CA C 13 46.890 0.3 . 1 . . . . . 38 GLY CA . 27169 1 344 . 1 1 39 39 GLY N N 15 108.219 0.3 . 1 . . . . . 38 GLY N . 27169 1 345 . 1 1 40 40 VAL H H 1 8.155 0.020 . 1 . . . . . 39 VAL H . 27169 1 346 . 1 1 40 40 VAL HA H 1 4.197 0.020 . 1 . . . . . 39 VAL HA . 27169 1 347 . 1 1 40 40 VAL HB H 1 1.762 0.020 . 1 . . . . . 39 VAL HB . 27169 1 348 . 1 1 40 40 VAL C C 13 173.756 0.3 . 1 . . . . . 39 VAL C . 27169 1 349 . 1 1 40 40 VAL CA C 13 61.929 0.3 . 1 . . . . . 39 VAL CA . 27169 1 350 . 1 1 40 40 VAL CB C 13 33.285 0.3 . 1 . . . . . 39 VAL CB . 27169 1 351 . 1 1 40 40 VAL CG1 C 13 21.493 0.3 . 1 . . . . . 39 VAL CG1 . 27169 1 352 . 1 1 40 40 VAL CG2 C 13 21.689 0.3 . 1 . . . . . 39 VAL CG2 . 27169 1 353 . 1 1 40 40 VAL N N 15 120.848 0.3 . 1 . . . . . 39 VAL N . 27169 1 354 . 1 1 41 41 ASP H H 1 8.519 0.020 . 1 . . . . . 40 ASP H . 27169 1 355 . 1 1 41 41 ASP HA H 1 4.925 0.020 . 1 . . . . . 40 ASP HA . 27169 1 356 . 1 1 41 41 ASP HB2 H 1 2.627 0.020 . 2 . . . . . 40 ASP HB2 . 27169 1 357 . 1 1 41 41 ASP HB3 H 1 2.758 0.020 . 2 . . . . . 40 ASP HB3 . 27169 1 358 . 1 1 41 41 ASP C C 13 174.704 0.3 . 1 . . . . . 40 ASP C . 27169 1 359 . 1 1 41 41 ASP CA C 13 52.449 0.3 . 1 . . . . . 40 ASP CA . 27169 1 360 . 1 1 41 41 ASP CB C 13 43.131 0.3 . 1 . . . . . 40 ASP CB . 27169 1 361 . 1 1 41 41 ASP N N 15 127.425 0.3 . 1 . . . . . 40 ASP N . 27169 1 362 . 1 1 42 42 GLY H H 1 7.962 0.020 . 1 . . . . . 41 GLY H . 27169 1 363 . 1 1 42 42 GLY HA2 H 1 4.274 0.020 . 2 . . . . . 41 GLY HA2 . 27169 1 364 . 1 1 42 42 GLY HA3 H 1 3.769 0.020 . 2 . . . . . 41 GLY HA3 . 27169 1 365 . 1 1 42 42 GLY C C 13 171.914 0.3 . 1 . . . . . 41 GLY C . 27169 1 366 . 1 1 42 42 GLY CA C 13 45.474 0.3 . 1 . . . . . 41 GLY CA . 27169 1 367 . 1 1 42 42 GLY N N 15 107.552 0.3 . 1 . . . . . 41 GLY N . 27169 1 368 . 1 1 43 43 GLU H H 1 8.075 0.020 . 1 . . . . . 42 GLU H . 27169 1 369 . 1 1 43 43 GLU HA H 1 4.720 0.020 . 1 . . . . . 42 GLU HA . 27169 1 370 . 1 1 43 43 GLU HB2 H 1 1.992 0.020 . 2 . . . . . 42 GLU HB2 . 27169 1 371 . 1 1 43 43 GLU HB3 H 1 2.093 0.020 . 2 . . . . . 42 GLU HB3 . 27169 1 372 . 1 1 43 43 GLU HG2 H 1 2.387 0.020 . 2 . . . . . 42 GLU HG2 . 27169 1 373 . 1 1 43 43 GLU HG3 H 1 2.283 0.020 . 2 . . . . . 42 GLU HG3 . 27169 1 374 . 1 1 43 43 GLU C C 13 177.013 0.3 . 1 . . . . . 42 GLU C . 27169 1 375 . 1 1 43 43 GLU CA C 13 55.535 0.3 . 1 . . . . . 42 GLU CA . 27169 1 376 . 1 1 43 43 GLU CB C 13 31.531 0.3 . 1 . . . . . 42 GLU CB . 27169 1 377 . 1 1 43 43 GLU CG C 13 36.253 0.3 . 1 . . . . . 42 GLU CG . 27169 1 378 . 1 1 43 43 GLU N N 15 120.710 0.3 . 1 . . . . . 42 GLU N . 27169 1 379 . 1 1 44 44 TRP H H 1 9.347 0.020 . 1 . . . . . 43 TRP H . 27169 1 380 . 1 1 44 44 TRP HA H 1 5.403 0.020 . 1 . . . . . 43 TRP HA . 27169 1 381 . 1 1 44 44 TRP HB2 H 1 3.399 0.020 . 2 . . . . . 43 TRP HB2 . 27169 1 382 . 1 1 44 44 TRP HB3 H 1 3.184 0.020 . 2 . . . . . 43 TRP HB3 . 27169 1 383 . 1 1 44 44 TRP HD1 H 1 7.610 0.020 . 1 . . . . . 43 TRP HD1 . 27169 1 384 . 1 1 44 44 TRP HE1 H 1 10.548 0.020 . 1 . . . . . 43 TRP HE1 . 27169 1 385 . 1 1 44 44 TRP HE3 H 1 7.658 0.020 . 1 . . . . . 43 TRP HE3 . 27169 1 386 . 1 1 44 44 TRP HZ2 H 1 7.385 0.020 . 1 . . . . . 43 TRP HZ2 . 27169 1 387 . 1 1 44 44 TRP HZ3 H 1 6.666 0.020 . 1 . . . . . 43 TRP HZ3 . 27169 1 388 . 1 1 44 44 TRP HH2 H 1 6.791 0.020 . 1 . . . . . 43 TRP HH2 . 27169 1 389 . 1 1 44 44 TRP C C 13 177.139 0.3 . 1 . . . . . 43 TRP C . 27169 1 390 . 1 1 44 44 TRP CA C 13 57.911 0.3 . 1 . . . . . 43 TRP CA . 27169 1 391 . 1 1 44 44 TRP CB C 13 30.410 0.3 . 1 . . . . . 43 TRP CB . 27169 1 392 . 1 1 44 44 TRP CD1 C 13 127.181 0.3 . 1 . . . . . 43 TRP CD1 . 27169 1 393 . 1 1 44 44 TRP CE3 C 13 119.502 0.3 . 1 . . . . . 43 TRP CE3 . 27169 1 394 . 1 1 44 44 TRP CZ2 C 13 114.449 0.3 . 1 . . . . . 43 TRP CZ2 . 27169 1 395 . 1 1 44 44 TRP CZ3 C 13 120.651 0.3 . 1 . . . . . 43 TRP CZ3 . 27169 1 396 . 1 1 44 44 TRP CH2 C 13 123.001 0.3 . 1 . . . . . 43 TRP CH2 . 27169 1 397 . 1 1 44 44 TRP N N 15 128.178 0.3 . 1 . . . . . 43 TRP N . 27169 1 398 . 1 1 44 44 TRP NE1 N 15 130.732 0.3 . 1 . . . . . 43 TRP NE1 . 27169 1 399 . 1 1 45 45 THR H H 1 9.301 0.020 . 1 . . . . . 44 THR H . 27169 1 400 . 1 1 45 45 THR HA H 1 4.866 0.020 . 1 . . . . . 44 THR HA . 27169 1 401 . 1 1 45 45 THR HB H 1 4.275 0.020 . 1 . . . . . 44 THR HB . 27169 1 402 . 1 1 45 45 THR C C 13 172.762 0.3 . 1 . . . . . 44 THR C . 27169 1 403 . 1 1 45 45 THR CA C 13 60.507 0.3 . 1 . . . . . 44 THR CA . 27169 1 404 . 1 1 45 45 THR CB C 13 72.299 0.3 . 1 . . . . . 44 THR CB . 27169 1 405 . 1 1 45 45 THR CG2 C 13 22.034 0.3 . 1 . . . . . 44 THR CG2 . 27169 1 406 . 1 1 45 45 THR N N 15 114.734 0.3 . 1 . . . . . 44 THR N . 27169 1 407 . 1 1 46 46 TYR H H 1 8.599 0.020 . 1 . . . . . 45 TYR H . 27169 1 408 . 1 1 46 46 TYR HA H 1 4.999 0.020 . 1 . . . . . 45 TYR HA . 27169 1 409 . 1 1 46 46 TYR HB2 H 1 2.520 0.020 . 2 . . . . . 45 TYR HB2 . 27169 1 410 . 1 1 46 46 TYR HB3 H 1 2.913 0.020 . 2 . . . . . 45 TYR HB3 . 27169 1 411 . 1 1 46 46 TYR C C 13 173.269 0.3 . 1 . . . . . 45 TYR C . 27169 1 412 . 1 1 46 46 TYR CA C 13 56.949 0.3 . 1 . . . . . 45 TYR CA . 27169 1 413 . 1 1 46 46 TYR CB C 13 41.433 0.3 . 1 . . . . . 45 TYR CB . 27169 1 414 . 1 1 46 46 TYR N N 15 120.762 0.3 . 1 . . . . . 45 TYR N . 27169 1 415 . 1 1 47 47 ASP H H 1 7.653 0.020 . 1 . . . . . 46 ASP H . 27169 1 416 . 1 1 47 47 ASP HA H 1 4.620 0.020 . 1 . . . . . 46 ASP HA . 27169 1 417 . 1 1 47 47 ASP HB2 H 1 2.292 0.020 . 2 . . . . . 46 ASP HB2 . 27169 1 418 . 1 1 47 47 ASP HB3 H 1 2.628 0.020 . 2 . . . . . 46 ASP HB3 . 27169 1 419 . 1 1 47 47 ASP C C 13 174.664 0.3 . 1 . . . . . 46 ASP C . 27169 1 420 . 1 1 47 47 ASP CA C 13 51.750 0.3 . 1 . . . . . 46 ASP CA . 27169 1 421 . 1 1 47 47 ASP CB C 13 42.998 0.3 . 1 . . . . . 46 ASP CB . 27169 1 422 . 1 1 47 47 ASP N N 15 128.461 0.3 . 1 . . . . . 46 ASP N . 27169 1 423 . 1 1 48 48 ASP H H 1 8.619 0.020 . 1 . . . . . 47 ASP H . 27169 1 424 . 1 1 48 48 ASP HA H 1 4.172 0.020 . 1 . . . . . 47 ASP HA . 27169 1 425 . 1 1 48 48 ASP HB2 H 1 2.866 0.020 . 2 . . . . . 47 ASP HB2 . 27169 1 426 . 1 1 48 48 ASP HB3 H 1 2.556 0.020 . 2 . . . . . 47 ASP HB3 . 27169 1 427 . 1 1 48 48 ASP C C 13 178.102 0.3 . 1 . . . . . 47 ASP C . 27169 1 428 . 1 1 48 48 ASP CA C 13 56.283 0.3 . 1 . . . . . 47 ASP CA . 27169 1 429 . 1 1 48 48 ASP CB C 13 42.188 0.3 . 1 . . . . . 47 ASP CB . 27169 1 430 . 1 1 48 48 ASP N N 15 124.973 0.3 . 1 . . . . . 47 ASP N . 27169 1 431 . 1 1 49 49 ALA H H 1 8.368 0.020 . 1 . . . . . 48 ALA H . 27169 1 432 . 1 1 49 49 ALA HA H 1 4.142 0.020 . 1 . . . . . 48 ALA HA . 27169 1 433 . 1 1 49 49 ALA C C 13 179.971 0.3 . 1 . . . . . 48 ALA C . 27169 1 434 . 1 1 49 49 ALA CA C 13 55.144 0.3 . 1 . . . . . 48 ALA CA . 27169 1 435 . 1 1 49 49 ALA CB C 13 18.233 0.3 . 1 . . . . . 48 ALA CB . 27169 1 436 . 1 1 49 49 ALA N N 15 119.935 0.3 . 1 . . . . . 48 ALA N . 27169 1 437 . 1 1 50 50 THR H H 1 7.039 0.020 . 1 . . . . . 49 THR H . 27169 1 438 . 1 1 50 50 THR HA H 1 4.427 0.020 . 1 . . . . . 49 THR HA . 27169 1 439 . 1 1 50 50 THR HB H 1 4.831 0.020 . 1 . . . . . 49 THR HB . 27169 1 440 . 1 1 50 50 THR C C 13 175.364 0.3 . 1 . . . . . 49 THR C . 27169 1 441 . 1 1 50 50 THR CA C 13 60.452 0.3 . 1 . . . . . 49 THR CA . 27169 1 442 . 1 1 50 50 THR CB C 13 70.395 0.3 . 1 . . . . . 49 THR CB . 27169 1 443 . 1 1 50 50 THR CG2 C 13 21.158 0.3 . 1 . . . . . 49 THR CG2 . 27169 1 444 . 1 1 50 50 THR N N 15 103.281 0.3 . 1 . . . . . 49 THR N . 27169 1 445 . 1 1 51 51 LYS H H 1 7.896 0.020 . 1 . . . . . 50 LYS H . 27169 1 446 . 1 1 51 51 LYS HA H 1 4.228 0.020 . 1 . . . . . 50 LYS HA . 27169 1 447 . 1 1 51 51 LYS HB2 H 1 2.053 0.020 . 2 . . . . . 50 LYS HB2 . 27169 1 448 . 1 1 51 51 LYS HB3 H 1 2.105 0.020 . 2 . . . . . 50 LYS HB3 . 27169 1 449 . 1 1 51 51 LYS HG2 H 1 1.425 0.020 . 2 . . . . . 50 LYS HG2 . 27169 1 450 . 1 1 51 51 LYS HG3 H 1 1.250 0.020 . 2 . . . . . 50 LYS HG3 . 27169 1 451 . 1 1 51 51 LYS HD2 H 1 1.730 0.020 . 2 . . . . . 50 LYS HD2 . 27169 1 452 . 1 1 51 51 LYS HD3 H 1 1.447 0.020 . 2 . . . . . 50 LYS HD3 . 27169 1 453 . 1 1 51 51 LYS HE2 H 1 3.122 0.020 . 2 . . . . . 50 LYS HE2 . 27169 1 454 . 1 1 51 51 LYS HE3 H 1 2.995 0.020 . 2 . . . . . 50 LYS HE3 . 27169 1 455 . 1 1 51 51 LYS C C 13 175.110 0.3 . 1 . . . . . 50 LYS C . 27169 1 456 . 1 1 51 51 LYS CA C 13 56.455 0.3 . 1 . . . . . 50 LYS CA . 27169 1 457 . 1 1 51 51 LYS CB C 13 29.216 0.3 . 1 . . . . . 50 LYS CB . 27169 1 458 . 1 1 51 51 LYS CG C 13 24.480 0.3 . 1 . . . . . 50 LYS CG . 27169 1 459 . 1 1 51 51 LYS CD C 13 28.298 0.3 . 1 . . . . . 50 LYS CD . 27169 1 460 . 1 1 51 51 LYS CE C 13 42.893 0.3 . 1 . . . . . 50 LYS CE . 27169 1 461 . 1 1 51 51 LYS N N 15 123.205 0.3 . 1 . . . . . 50 LYS N . 27169 1 462 . 1 1 52 52 THR H H 1 7.416 0.020 . 1 . . . . . 51 THR H . 27169 1 463 . 1 1 52 52 THR HA H 1 5.539 0.020 . 1 . . . . . 51 THR HA . 27169 1 464 . 1 1 52 52 THR HB H 1 3.795 0.020 . 1 . . . . . 51 THR HB . 27169 1 465 . 1 1 52 52 THR C C 13 174.885 0.3 . 1 . . . . . 51 THR C . 27169 1 466 . 1 1 52 52 THR CA C 13 62.202 0.3 . 1 . . . . . 51 THR CA . 27169 1 467 . 1 1 52 52 THR CB C 13 72.067 0.3 . 1 . . . . . 51 THR CB . 27169 1 468 . 1 1 52 52 THR CG2 C 13 20.792 0.3 . 1 . . . . . 51 THR CG2 . 27169 1 469 . 1 1 52 52 THR N N 15 111.165 0.3 . 1 . . . . . 51 THR N . 27169 1 470 . 1 1 53 53 PHE H H 1 10.411 0.020 . 1 . . . . . 52 PHE H . 27169 1 471 . 1 1 53 53 PHE HA H 1 5.718 0.020 . 1 . . . . . 52 PHE HA . 27169 1 472 . 1 1 53 53 PHE HB2 H 1 3.262 0.020 . 2 . . . . . 52 PHE HB2 . 27169 1 473 . 1 1 53 53 PHE HB3 H 1 3.317 0.020 . 2 . . . . . 52 PHE HB3 . 27169 1 474 . 1 1 53 53 PHE C C 13 174.631 0.3 . 1 . . . . . 52 PHE C . 27169 1 475 . 1 1 53 53 PHE CA C 13 57.150 0.3 . 1 . . . . . 52 PHE CA . 27169 1 476 . 1 1 53 53 PHE CB C 13 42.741 0.3 . 1 . . . . . 52 PHE CB . 27169 1 477 . 1 1 53 53 PHE CD1 C 13 132.246 0.3 . 1 . . . . . 52 PHE CD1 . 27169 1 478 . 1 1 53 53 PHE CD2 C 13 132.246 0.3 . 1 . . . . . 52 PHE CD2 . 27169 1 479 . 1 1 53 53 PHE N N 15 130.965 0.3 . 1 . . . . . 52 PHE N . 27169 1 480 . 1 1 54 54 THR H H 1 9.145 0.020 . 1 . . . . . 53 THR H . 27169 1 481 . 1 1 54 54 THR HA H 1 5.236 0.020 . 1 . . . . . 53 THR HA . 27169 1 482 . 1 1 54 54 THR HB H 1 3.859 0.020 . 1 . . . . . 53 THR HB . 27169 1 483 . 1 1 54 54 THR C C 13 172.691 0.3 . 1 . . . . . 53 THR C . 27169 1 484 . 1 1 54 54 THR CA C 13 61.511 0.3 . 1 . . . . . 53 THR CA . 27169 1 485 . 1 1 54 54 THR CB C 13 71.010 0.3 . 1 . . . . . 53 THR CB . 27169 1 486 . 1 1 54 54 THR CG2 C 13 20.576 0.3 . 1 . . . . . 53 THR CG2 . 27169 1 487 . 1 1 54 54 THR N N 15 117.071 0.3 . 1 . . . . . 53 THR N . 27169 1 488 . 1 1 55 55 VAL H H 1 8.232 0.020 . 1 . . . . . 54 VAL H . 27169 1 489 . 1 1 55 55 VAL HA H 1 4.507 0.020 . 1 . . . . . 54 VAL HA . 27169 1 490 . 1 1 55 55 VAL HB H 1 -0.294 0.020 . 1 . . . . . 54 VAL HB . 27169 1 491 . 1 1 55 55 VAL C C 13 173.318 0.3 . 1 . . . . . 54 VAL C . 27169 1 492 . 1 1 55 55 VAL CA C 13 57.831 0.3 . 1 . . . . . 54 VAL CA . 27169 1 493 . 1 1 55 55 VAL CB C 13 32.284 0.3 . 1 . . . . . 54 VAL CB . 27169 1 494 . 1 1 55 55 VAL CG1 C 13 20.606 0.3 . 1 . . . . . 54 VAL CG1 . 27169 1 495 . 1 1 55 55 VAL CG2 C 13 19.669 0.3 . 1 . . . . . 54 VAL CG2 . 27169 1 496 . 1 1 55 55 VAL N N 15 123.274 0.3 . 1 . . . . . 54 VAL N . 27169 1 497 . 1 1 56 56 THR H H 1 8.375 0.020 . 1 . . . . . 55 THR H . 27169 1 498 . 1 1 56 56 THR HA H 1 4.724 0.020 . 1 . . . . . 55 THR HA . 27169 1 499 . 1 1 56 56 THR HB H 1 3.872 0.020 . 1 . . . . . 55 THR HB . 27169 1 500 . 1 1 56 56 THR C C 13 174.567 0.3 . 1 . . . . . 55 THR C . 27169 1 501 . 1 1 56 56 THR CA C 13 60.981 0.3 . 1 . . . . . 55 THR CA . 27169 1 502 . 1 1 56 56 THR CB C 13 70.496 0.3 . 1 . . . . . 55 THR CB . 27169 1 503 . 1 1 56 56 THR CG2 C 13 21.202 0.3 . 1 . . . . . 55 THR CG2 . 27169 1 504 . 1 1 56 56 THR N N 15 123.487 0.3 . 1 . . . . . 55 THR N . 27169 1 505 . 1 1 57 57 GLU H H 1 8.164 0.020 . 1 . . . . . 56 GLU H . 27169 1 506 . 1 1 57 57 GLU HA H 1 4.580 0.020 . 1 . . . . . 56 GLU HA . 27169 1 507 . 1 1 57 57 GLU HB2 H 1 2.062 0.020 . 2 . . . . . 56 GLU HB2 . 27169 1 508 . 1 1 57 57 GLU HB3 H 1 2.206 0.020 . 2 . . . . . 56 GLU HB3 . 27169 1 509 . 1 1 57 57 GLU CA C 13 56.212 0.3 . 1 . . . . . 56 GLU CA . 27169 1 510 . 1 1 57 57 GLU CB C 13 31.853 0.3 . 1 . . . . . 56 GLU CB . 27169 1 511 . 1 1 57 57 GLU CG C 13 36.455 0.3 . 1 . . . . . 56 GLU CG . 27169 1 512 . 1 1 57 57 GLU N N 15 128.842 0.3 . 1 . . . . . 56 GLU N . 27169 1 513 . 1 1 58 58 GLY H H 1 8.806 0.020 . 1 . . . . . 57 GLY H . 27169 1 514 . 1 1 58 58 GLY HA2 H 1 3.999 0.020 . 2 . . . . . 57 GLY HA2 . 27169 1 515 . 1 1 58 58 GLY HA3 H 1 4.101 0.020 . 2 . . . . . 57 GLY HA3 . 27169 1 516 . 1 1 58 58 GLY C C 13 173.742 0.3 . 1 . . . . . 57 GLY C . 27169 1 517 . 1 1 58 58 GLY CA C 13 45.270 0.3 . 1 . . . . . 57 GLY CA . 27169 1 518 . 1 1 58 58 GLY N N 15 112.643 0.3 . 1 . . . . . 57 GLY N . 27169 1 519 . 1 1 59 59 SER H H 1 8.322 0.020 . 1 . . . . . 58 SER H . 27169 1 520 . 1 1 59 59 SER HA H 1 4.493 0.020 . 1 . . . . . 58 SER HA . 27169 1 521 . 1 1 59 59 SER C C 13 174.389 0.3 . 1 . . . . . 58 SER C . 27169 1 522 . 1 1 59 59 SER CA C 13 58.038 0.3 . 1 . . . . . 58 SER CA . 27169 1 523 . 1 1 59 59 SER CB C 13 63.990 0.3 . 1 . . . . . 58 SER CB . 27169 1 524 . 1 1 59 59 SER N N 15 115.325 0.3 . 1 . . . . . 58 SER N . 27169 1 525 . 1 1 60 60 ALA H H 1 8.480 0.020 . 1 . . . . . 59 ALA H . 27169 1 526 . 1 1 60 60 ALA HA H 1 4.431 0.020 . 1 . . . . . 59 ALA HA . 27169 1 527 . 1 1 60 60 ALA C C 13 177.877 0.3 . 1 . . . . . 59 ALA C . 27169 1 528 . 1 1 60 60 ALA CA C 13 52.620 0.3 . 1 . . . . . 59 ALA CA . 27169 1 529 . 1 1 60 60 ALA CB C 13 19.295 0.3 . 1 . . . . . 59 ALA CB . 27169 1 530 . 1 1 60 60 ALA N N 15 125.937 0.3 . 1 . . . . . 59 ALA N . 27169 1 531 . 1 1 61 61 THR H H 1 8.207 0.020 . 1 . . . . . 60 THR H . 27169 1 532 . 1 1 61 61 THR HA H 1 4.259 0.020 . 1 . . . . . 60 THR HA . 27169 1 533 . 1 1 61 61 THR HB H 1 4.436 0.020 . 1 . . . . . 60 THR HB . 27169 1 534 . 1 1 61 61 THR C C 13 173.995 0.3 . 1 . . . . . 60 THR C . 27169 1 535 . 1 1 61 61 THR CA C 13 61.735 0.3 . 1 . . . . . 60 THR CA . 27169 1 536 . 1 1 61 61 THR CB C 13 70.190 0.3 . 1 . . . . . 60 THR CB . 27169 1 537 . 1 1 61 61 THR N N 15 113.568 0.3 . 1 . . . . . 60 THR N . 27169 1 538 . 1 1 62 62 MET H H 1 8.115 0.020 . 1 . . . . . 61 MET H . 27169 1 539 . 1 1 62 62 MET HA H 1 4.357 0.020 . 1 . . . . . 61 MET HA . 27169 1 540 . 1 1 62 62 MET CA C 13 56.828 0.3 . 1 . . . . . 61 MET CA . 27169 1 541 . 1 1 62 62 MET CB C 13 27.410 0.3 . 1 . . . . . 61 MET CB . 27169 1 542 . 1 1 62 62 MET CE C 13 16.885 0.3 . 1 . . . . . 61 MET CE . 27169 1 543 . 1 1 62 62 MET N N 15 126.400 0.3 . 1 . . . . . 61 MET N . 27169 1 stop_ save_