data_27176 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27176 _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 2017-07-13 _Entry.Accession_date 2017-07-13 _Entry.Last_release_date 2017-07-13 _Entry.Original_release_date 2017-07-13 _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 . . . . 27176 2 Marcius Almeida . S. . . 27176 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 27176 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' . 27176 2 . 'Centro de Ciencias da Saude' . 27176 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27176 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 247 27176 '15N chemical shifts' 86 27176 '1H chemical shifts' 201 27176 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 2017-07-13 update BMRB 'update entry citation' 27176 1 . . 2017-08-10 2017-07-13 original author 'original release' 27176 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27169 'solubility domain GB1' 27176 BMRB 27177 'truncated forms of the coronavirus nsp1 protein; nsp1(13-50)' 27176 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27176 _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 . . . . 27176 1 2 Luis Lima . MTR . . 27176 1 3 Marcius Almeida . S. . . 27176 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID coronavirus 27176 1 nsp1 27176 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27176 _Assembly.ID 1 _Assembly.Name 'Coronavirus nsp1 truncated proteins; nsp1(13-25)' _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 'Coronavirus nsp1 truncated proteins; nsp1(13-25)' 1 $nsp1(13-25) A . yes 'partially disordered' no yes . . . 27176 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Virulence factor of the SARS coronavirus' 27176 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_nsp1(13-25) _Entity.Sf_category entity _Entity.Sf_framecode nsp1(13-25) _Entity.Entry_ID 27176 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name nsp1(13-25) _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 ; MGHVQLSLPVLQVRDHGRAP IKVESQEHKLVPRGSFQYKL ILNGKTLKGETTTEAVDAAT AEKVFKQYANDNGVDGEWTY DDATKTFTVTESGHHHHHH ; _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 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _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 . MET . 27176 1 2 . GLY . 27176 1 3 . HIS . 27176 1 4 . VAL . 27176 1 5 . GLN . 27176 1 6 . LEU . 27176 1 7 . SER . 27176 1 8 . LEU . 27176 1 9 . PRO . 27176 1 10 . VAL . 27176 1 11 . LEU . 27176 1 12 . GLN . 27176 1 13 . VAL . 27176 1 14 . ARG . 27176 1 15 . ASP . 27176 1 16 . HIS . 27176 1 17 . GLY . 27176 1 18 . ARG . 27176 1 19 . ALA . 27176 1 20 . PRO . 27176 1 21 . ILE . 27176 1 22 . LYS . 27176 1 23 . VAL . 27176 1 24 . GLU . 27176 1 25 . SER . 27176 1 26 . GLN . 27176 1 27 . GLU . 27176 1 28 . HIS . 27176 1 29 . LYS . 27176 1 30 . LEU . 27176 1 31 . VAL . 27176 1 32 . PRO . 27176 1 33 . ARG . 27176 1 34 . GLY . 27176 1 35 . SER . 27176 1 36 . PHE . 27176 1 37 . GLN . 27176 1 38 . TYR . 27176 1 39 . LYS . 27176 1 40 . LEU . 27176 1 41 . ILE . 27176 1 42 . LEU . 27176 1 43 . ASN . 27176 1 44 . GLY . 27176 1 45 . LYS . 27176 1 46 . THR . 27176 1 47 . LEU . 27176 1 48 . LYS . 27176 1 49 . GLY . 27176 1 50 . GLU . 27176 1 51 . THR . 27176 1 52 . THR . 27176 1 53 . THR . 27176 1 54 . GLU . 27176 1 55 . ALA . 27176 1 56 . VAL . 27176 1 57 . ASP . 27176 1 58 . ALA . 27176 1 59 . ALA . 27176 1 60 . THR . 27176 1 61 . ALA . 27176 1 62 . GLU . 27176 1 63 . LYS . 27176 1 64 . VAL . 27176 1 65 . PHE . 27176 1 66 . LYS . 27176 1 67 . GLN . 27176 1 68 . TYR . 27176 1 69 . ALA . 27176 1 70 . ASN . 27176 1 71 . ASP . 27176 1 72 . ASN . 27176 1 73 . GLY . 27176 1 74 . VAL . 27176 1 75 . ASP . 27176 1 76 . GLY . 27176 1 77 . GLU . 27176 1 78 . TRP . 27176 1 79 . THR . 27176 1 80 . TYR . 27176 1 81 . ASP . 27176 1 82 . ASP . 27176 1 83 . ALA . 27176 1 84 . THR . 27176 1 85 . LYS . 27176 1 86 . THR . 27176 1 87 . PHE . 27176 1 88 . THR . 27176 1 89 . VAL . 27176 1 90 . THR . 27176 1 91 . GLU . 27176 1 92 . SER . 27176 1 93 . GLY . 27176 1 94 . HIS . 27176 1 95 . HIS . 27176 1 96 . HIS . 27176 1 97 . HIS . 27176 1 98 . HIS . 27176 1 99 . HIS . 27176 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 27176 1 . GLY 2 2 27176 1 . HIS 3 3 27176 1 . VAL 4 4 27176 1 . GLN 5 5 27176 1 . LEU 6 6 27176 1 . SER 7 7 27176 1 . LEU 8 8 27176 1 . PRO 9 9 27176 1 . VAL 10 10 27176 1 . LEU 11 11 27176 1 . GLN 12 12 27176 1 . VAL 13 13 27176 1 . ARG 14 14 27176 1 . ASP 15 15 27176 1 . HIS 16 16 27176 1 . GLY 17 17 27176 1 . ARG 18 18 27176 1 . ALA 19 19 27176 1 . PRO 20 20 27176 1 . ILE 21 21 27176 1 . LYS 22 22 27176 1 . VAL 23 23 27176 1 . GLU 24 24 27176 1 . SER 25 25 27176 1 . GLN 26 26 27176 1 . GLU 27 27 27176 1 . HIS 28 28 27176 1 . LYS 29 29 27176 1 . LEU 30 30 27176 1 . VAL 31 31 27176 1 . PRO 32 32 27176 1 . ARG 33 33 27176 1 . GLY 34 34 27176 1 . SER 35 35 27176 1 . PHE 36 36 27176 1 . GLN 37 37 27176 1 . TYR 38 38 27176 1 . LYS 39 39 27176 1 . LEU 40 40 27176 1 . ILE 41 41 27176 1 . LEU 42 42 27176 1 . ASN 43 43 27176 1 . GLY 44 44 27176 1 . LYS 45 45 27176 1 . THR 46 46 27176 1 . LEU 47 47 27176 1 . LYS 48 48 27176 1 . GLY 49 49 27176 1 . GLU 50 50 27176 1 . THR 51 51 27176 1 . THR 52 52 27176 1 . THR 53 53 27176 1 . GLU 54 54 27176 1 . ALA 55 55 27176 1 . VAL 56 56 27176 1 . ASP 57 57 27176 1 . ALA 58 58 27176 1 . ALA 59 59 27176 1 . THR 60 60 27176 1 . ALA 61 61 27176 1 . GLU 62 62 27176 1 . LYS 63 63 27176 1 . VAL 64 64 27176 1 . PHE 65 65 27176 1 . LYS 66 66 27176 1 . GLN 67 67 27176 1 . TYR 68 68 27176 1 . ALA 69 69 27176 1 . ASN 70 70 27176 1 . ASP 71 71 27176 1 . ASN 72 72 27176 1 . GLY 73 73 27176 1 . VAL 74 74 27176 1 . ASP 75 75 27176 1 . GLY 76 76 27176 1 . GLU 77 77 27176 1 . TRP 78 78 27176 1 . THR 79 79 27176 1 . TYR 80 80 27176 1 . ASP 81 81 27176 1 . ASP 82 82 27176 1 . ALA 83 83 27176 1 . THR 84 84 27176 1 . LYS 85 85 27176 1 . THR 86 86 27176 1 . PHE 87 87 27176 1 . THR 88 88 27176 1 . VAL 89 89 27176 1 . THR 90 90 27176 1 . GLU 91 91 27176 1 . SER 92 92 27176 1 . GLY 93 93 27176 1 . HIS 94 94 27176 1 . HIS 95 95 27176 1 . HIS 96 96 27176 1 . HIS 97 97 27176 1 . HIS 98 98 27176 1 . HIS 99 99 27176 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 27176 _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 $nsp1(13-25) . 227859 virus . 'SARS coronavirus' 'SARS coronavirus' . . Viruses . SARS coronavirus . . . . . . . . . . . . . 27176 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 27176 _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 $nsp1(13-25) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . pET-25(+) . . . 27176 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_All_samples _Sample.Sf_category sample _Sample.Sf_framecode All_samples _Sample.Entry_ID 27176 _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 . . . . 27176 1 2 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 27176 1 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 27176 1 4 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 27176 1 5 nsp1(13-25) '[U-13C; U-15N]' . . 1 $nsp1(13-25) . . 2 . . mM . . . . 27176 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 27176 _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 27176 1 pH 7.0 . pH 27176 1 pressure 1 . atm 27176 1 temperature 298 . K 27176 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 27176 _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' . . 27176 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27176 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 27176 _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 27176 _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 . . . 27176 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 27176 _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 . . . . . . . . . . . . . . . . 27176 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $All_samples isotropic . . 1 $Condition_of_all_samples . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27176 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $All_samples isotropic . . 1 $Condition_of_all_samples . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27176 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $All_samples isotropic . . 1 $Condition_of_all_samples . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27176 1 5 '3D HNCACB' no . . . . . . . . . . 1 $All_samples isotropic . . 1 $Condition_of_all_samples . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27176 1 6 '3D HNCO' no . . . . . . . . . . 1 $All_samples isotropic . . 1 $Condition_of_all_samples . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27176 1 7 '3D HNCA' no . . . . . . . . . . 1 $All_samples isotropic . . 1 $Condition_of_all_samples . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27176 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $All_samples isotropic . . 1 $Condition_of_all_samples . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27176 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 27176 _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 . . . . . 27176 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27176 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27176 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 27176 _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' . . . 27176 1 4 '3D CBCA(CO)NH' . . . 27176 1 5 '3D HNCACB' . . . 27176 1 6 '3D HNCO' . . . 27176 1 7 '3D HNCA' . . . 27176 1 8 '3D HBHA(CO)NH' . . . 27176 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 $XEASY . . 27176 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 3 3 HIS HA H 1 4.697 0.020 . 1 . . . . . 3 HIS HA . 27176 1 2 . 1 1 3 3 HIS C C 13 175.438 0.3 . 1 . . . . . 3 HIS C . 27176 1 3 . 1 1 3 3 HIS CA C 13 56.478 0.3 . 1 . . . . . 3 HIS CA . 27176 1 4 . 1 1 3 3 HIS CB C 13 31.275 0.3 . 1 . . . . . 3 HIS CB . 27176 1 5 . 1 1 4 4 VAL H H 1 8.357 0.020 . 1 . . . . . 4 VAL H . 27176 1 6 . 1 1 4 4 VAL HA H 1 4.049 0.020 . 1 . . . . . 4 VAL HA . 27176 1 7 . 1 1 4 4 VAL HB H 1 2.003 0.020 . 1 . . . . . 4 VAL HB . 27176 1 8 . 1 1 4 4 VAL C C 13 175.728 0.3 . 1 . . . . . 4 VAL C . 27176 1 9 . 1 1 4 4 VAL CA C 13 62.553 0.3 . 1 . . . . . 4 VAL CA . 27176 1 10 . 1 1 4 4 VAL CB C 13 33.193 0.3 . 1 . . . . . 4 VAL CB . 27176 1 11 . 1 1 4 4 VAL N N 15 123.049 0.3 . 1 . . . . . 4 VAL N . 27176 1 12 . 1 1 5 5 GLN H H 1 8.555 0.020 . 1 . . . . . 5 GLN H . 27176 1 13 . 1 1 5 5 GLN HA H 1 4.350 0.020 . 1 . . . . . 5 GLN HA . 27176 1 14 . 1 1 5 5 GLN C C 13 175.703 0.3 . 1 . . . . . 5 GLN C . 27176 1 15 . 1 1 5 5 GLN CA C 13 55.642 0.3 . 1 . . . . . 5 GLN CA . 27176 1 16 . 1 1 5 5 GLN CB C 13 29.764 0.3 . 1 . . . . . 5 GLN CB . 27176 1 17 . 1 1 5 5 GLN N N 15 125.466 0.3 . 1 . . . . . 5 GLN N . 27176 1 18 . 1 1 6 6 LEU H H 1 8.431 0.020 . 1 . . . . . 6 LEU H . 27176 1 19 . 1 1 6 6 LEU HA H 1 4.381 0.020 . 1 . . . . . 6 LEU HA . 27176 1 20 . 1 1 6 6 LEU C C 13 177.262 0.3 . 1 . . . . . 6 LEU C . 27176 1 21 . 1 1 6 6 LEU CA C 13 55.208 0.3 . 1 . . . . . 6 LEU CA . 27176 1 22 . 1 1 6 6 LEU CB C 13 42.900 0.3 . 1 . . . . . 6 LEU CB . 27176 1 23 . 1 1 6 6 LEU N N 15 125.242 0.3 . 1 . . . . . 6 LEU N . 27176 1 24 . 1 1 7 7 SER H H 1 8.340 0.020 . 1 . . . . . 7 SER H . 27176 1 25 . 1 1 7 7 SER HA H 1 4.476 0.020 . 1 . . . . . 7 SER HA . 27176 1 26 . 1 1 7 7 SER C C 13 174.029 0.3 . 1 . . . . . 7 SER C . 27176 1 27 . 1 1 7 7 SER CA C 13 58.023 0.3 . 1 . . . . . 7 SER CA . 27176 1 28 . 1 1 7 7 SER CB C 13 63.969 0.3 . 1 . . . . . 7 SER CB . 27176 1 29 . 1 1 7 7 SER N N 15 117.272 0.3 . 1 . . . . . 7 SER N . 27176 1 30 . 1 1 8 8 LEU H H 1 8.252 0.020 . 1 . . . . . 8 LEU H . 27176 1 31 . 1 1 8 8 LEU HA H 1 4.608 0.020 . 1 . . . . . 8 LEU HA . 27176 1 32 . 1 1 8 8 LEU CA C 13 53.371 0.3 . 1 . . . . . 8 LEU CA . 27176 1 33 . 1 1 8 8 LEU CB C 13 41.923 0.3 . 1 . . . . . 8 LEU CB . 27176 1 34 . 1 1 8 8 LEU N N 15 125.547 0.3 . 1 . . . . . 8 LEU N . 27176 1 35 . 1 1 9 9 PRO HA H 1 4.425 0.020 . 1 . . . . . 9 PRO HA . 27176 1 36 . 1 1 9 9 PRO HB2 H 1 1.828 0.020 . 2 . . . . . 9 PRO HB2 . 27176 1 37 . 1 1 9 9 PRO HB3 H 1 2.245 0.020 . 2 . . . . . 9 PRO HB3 . 27176 1 38 . 1 1 9 9 PRO CA C 13 63.286 0.3 . 1 . . . . . 9 PRO CA . 27176 1 39 . 1 1 9 9 PRO CB C 13 32.159 0.3 . 1 . . . . . 9 PRO CB . 27176 1 40 . 1 1 10 10 VAL H H 1 8.207 0.020 . 1 . . . . . 10 VAL H . 27176 1 41 . 1 1 10 10 VAL HA H 1 4.040 0.020 . 1 . . . . . 10 VAL HA . 27176 1 42 . 1 1 10 10 VAL HB H 1 2.031 0.020 . 1 . . . . . 10 VAL HB . 27176 1 43 . 1 1 10 10 VAL CA C 13 62.684 0.3 . 1 . . . . . 10 VAL CA . 27176 1 44 . 1 1 10 10 VAL CB C 13 32.799 0.3 . 1 . . . . . 10 VAL CB . 27176 1 45 . 1 1 10 10 VAL N N 15 120.953 0.3 . 1 . . . . . 10 VAL N . 27176 1 46 . 1 1 11 11 LEU H H 1 8.320 0.020 . 1 . . . . . 11 LEU H . 27176 1 47 . 1 1 11 11 LEU HA H 1 4.358 0.020 . 1 . . . . . 11 LEU HA . 27176 1 48 . 1 1 11 11 LEU CA C 13 55.318 0.3 . 1 . . . . . 11 LEU CA . 27176 1 49 . 1 1 11 11 LEU CB C 13 42.686 0.3 . 1 . . . . . 11 LEU CB . 27176 1 50 . 1 1 11 11 LEU N N 15 126.534 0.3 . 1 . . . . . 11 LEU N . 27176 1 51 . 1 1 12 12 GLN H H 1 8.431 0.020 . 1 . . . . . 12 GLN H . 27176 1 52 . 1 1 12 12 GLN HA H 1 4.358 0.020 . 1 . . . . . 12 GLN HA . 27176 1 53 . 1 1 12 12 GLN CA C 13 55.943 0.3 . 1 . . . . . 12 GLN CA . 27176 1 54 . 1 1 12 12 GLN CB C 13 29.855 0.3 . 1 . . . . . 12 GLN CB . 27176 1 55 . 1 1 12 12 GLN N N 15 122.428 0.3 . 1 . . . . . 12 GLN N . 27176 1 56 . 1 1 13 13 VAL H H 1 8.259 0.020 . 1 . . . . . 13 VAL H . 27176 1 57 . 1 1 13 13 VAL HA H 1 4.063 0.020 . 1 . . . . . 13 VAL HA . 27176 1 58 . 1 1 13 13 VAL HB H 1 2.023 0.020 . 1 . . . . . 13 VAL HB . 27176 1 59 . 1 1 13 13 VAL CA C 13 62.684 0.3 . 1 . . . . . 13 VAL CA . 27176 1 60 . 1 1 13 13 VAL CB C 13 32.919 0.3 . 1 . . . . . 13 VAL CB . 27176 1 61 . 1 1 13 13 VAL N N 15 122.637 0.3 . 1 . . . . . 13 VAL N . 27176 1 62 . 1 1 14 14 ARG H H 1 8.443 0.020 . 1 . . . . . 14 ARG H . 27176 1 63 . 1 1 14 14 ARG HA H 1 4.311 0.020 . 1 . . . . . 14 ARG HA . 27176 1 64 . 1 1 14 14 ARG CA C 13 56.213 0.3 . 1 . . . . . 14 ARG CA . 27176 1 65 . 1 1 14 14 ARG CB C 13 31.148 0.3 . 1 . . . . . 14 ARG CB . 27176 1 66 . 1 1 14 14 ARG N N 15 125.090 0.3 . 1 . . . . . 14 ARG N . 27176 1 67 . 1 1 15 15 ASP H H 1 8.338 0.020 . 1 . . . . . 15 ASP H . 27176 1 68 . 1 1 15 15 ASP HA H 1 4.535 0.020 . 1 . . . . . 15 ASP HA . 27176 1 69 . 1 1 15 15 ASP CA C 13 54.462 0.3 . 1 . . . . . 15 ASP CA . 27176 1 70 . 1 1 15 15 ASP CB C 13 41.471 0.3 . 1 . . . . . 15 ASP CB . 27176 1 71 . 1 1 15 15 ASP N N 15 121.738 0.3 . 1 . . . . . 15 ASP N . 27176 1 72 . 1 1 16 16 HIS H H 1 8.339 0.020 . 1 . . . . . 16 HIS H . 27176 1 73 . 1 1 16 16 HIS HA H 1 4.540 0.020 . 1 . . . . . 16 HIS HA . 27176 1 74 . 1 1 16 16 HIS C C 13 176.116 0.3 . 1 . . . . . 16 HIS C . 27176 1 75 . 1 1 16 16 HIS CA C 13 56.709 0.3 . 1 . . . . . 16 HIS CA . 27176 1 76 . 1 1 16 16 HIS CB C 13 30.464 0.3 . 1 . . . . . 16 HIS CB . 27176 1 77 . 1 1 16 16 HIS N N 15 120.552 0.3 . 1 . . . . . 16 HIS N . 27176 1 78 . 1 1 17 17 GLY H H 1 8.486 0.020 . 1 . . . . . 17 GLY H . 27176 1 79 . 1 1 17 17 GLY C C 13 174.194 0.3 . 1 . . . . . 17 GLY C . 27176 1 80 . 1 1 17 17 GLY CA C 13 45.581 0.3 . 1 . . . . . 17 GLY CA . 27176 1 81 . 1 1 17 17 GLY N N 15 109.841 0.3 . 1 . . . . . 17 GLY N . 27176 1 82 . 1 1 18 18 ARG H H 1 8.149 0.020 . 1 . . . . . 18 ARG H . 27176 1 83 . 1 1 18 18 ARG HA H 1 4.336 0.020 . 1 . . . . . 18 ARG HA . 27176 1 84 . 1 1 18 18 ARG C C 13 175.063 0.3 . 1 . . . . . 18 ARG C . 27176 1 85 . 1 1 18 18 ARG CA C 13 55.822 0.3 . 1 . . . . . 18 ARG CA . 27176 1 86 . 1 1 18 18 ARG CB C 13 31.136 0.3 . 1 . . . . . 18 ARG CB . 27176 1 87 . 1 1 18 18 ARG N N 15 120.745 0.3 . 1 . . . . . 18 ARG N . 27176 1 88 . 1 1 19 19 ALA H H 1 8.339 0.020 . 1 . . . . . 19 ALA H . 27176 1 89 . 1 1 19 19 ALA HA H 1 4.561 0.020 . 1 . . . . . 19 ALA HA . 27176 1 90 . 1 1 19 19 ALA CA C 13 50.679 0.3 . 1 . . . . . 19 ALA CA . 27176 1 91 . 1 1 19 19 ALA CB C 13 18.332 0.3 . 1 . . . . . 19 ALA CB . 27176 1 92 . 1 1 19 19 ALA N N 15 127.067 0.3 . 1 . . . . . 19 ALA N . 27176 1 93 . 1 1 20 20 PRO HA H 1 4.432 0.020 . 1 . . . . . 20 PRO HA . 27176 1 94 . 1 1 20 20 PRO C C 13 176.856 0.3 . 1 . . . . . 20 PRO C . 27176 1 95 . 1 1 20 20 PRO CA C 13 63.030 0.3 . 1 . . . . . 20 PRO CA . 27176 1 96 . 1 1 20 20 PRO CB C 13 32.230 0.3 . 1 . . . . . 20 PRO CB . 27176 1 97 . 1 1 21 21 ILE H H 1 8.210 0.020 . 1 . . . . . 21 ILE H . 27176 1 98 . 1 1 21 21 ILE HA H 1 4.089 0.020 . 1 . . . . . 21 ILE HA . 27176 1 99 . 1 1 21 21 ILE HB H 1 1.783 0.020 . 1 . . . . . 21 ILE HB . 27176 1 100 . 1 1 21 21 ILE C C 13 176.212 0.3 . 1 . . . . . 21 ILE C . 27176 1 101 . 1 1 21 21 ILE CA C 13 61.206 0.3 . 1 . . . . . 21 ILE CA . 27176 1 102 . 1 1 21 21 ILE CB C 13 39.114 0.3 . 1 . . . . . 21 ILE CB . 27176 1 103 . 1 1 21 21 ILE N N 15 121.500 0.3 . 1 . . . . . 21 ILE N . 27176 1 104 . 1 1 22 22 LYS H H 1 8.384 0.020 . 1 . . . . . 22 LYS H . 27176 1 105 . 1 1 22 22 LYS HA H 1 4.368 0.020 . 1 . . . . . 22 LYS HA . 27176 1 106 . 1 1 22 22 LYS C C 13 176.240 0.3 . 1 . . . . . 22 LYS C . 27176 1 107 . 1 1 22 22 LYS CA C 13 56.143 0.3 . 1 . . . . . 22 LYS CA . 27176 1 108 . 1 1 22 22 LYS CB C 13 33.377 0.3 . 1 . . . . . 22 LYS CB . 27176 1 109 . 1 1 22 22 LYS N N 15 126.489 0.3 . 1 . . . . . 22 LYS N . 27176 1 110 . 1 1 23 23 VAL H H 1 8.313 0.020 . 1 . . . . . 23 VAL H . 27176 1 111 . 1 1 23 23 VAL HA H 1 4.083 0.020 . 1 . . . . . 23 VAL HA . 27176 1 112 . 1 1 23 23 VAL HB H 1 2.023 0.020 . 1 . . . . . 23 VAL HB . 27176 1 113 . 1 1 23 23 VAL C C 13 176.280 0.3 . 1 . . . . . 23 VAL C . 27176 1 114 . 1 1 23 23 VAL CA C 13 62.386 0.3 . 1 . . . . . 23 VAL CA . 27176 1 115 . 1 1 23 23 VAL CB C 13 33.110 0.3 . 1 . . . . . 23 VAL CB . 27176 1 116 . 1 1 23 23 VAL N N 15 123.548 0.3 . 1 . . . . . 23 VAL N . 27176 1 117 . 1 1 24 24 GLU H H 1 8.633 0.020 . 1 . . . . . 24 GLU H . 27176 1 118 . 1 1 24 24 GLU HA H 1 4.329 0.020 . 1 . . . . . 24 GLU HA . 27176 1 119 . 1 1 24 24 GLU C C 13 176.553 0.3 . 1 . . . . . 24 GLU C . 27176 1 120 . 1 1 24 24 GLU CA C 13 56.639 0.3 . 1 . . . . . 24 GLU CA . 27176 1 121 . 1 1 24 24 GLU CB C 13 30.704 0.3 . 1 . . . . . 24 GLU CB . 27176 1 122 . 1 1 24 24 GLU N N 15 125.622 0.3 . 1 . . . . . 24 GLU N . 27176 1 123 . 1 1 25 25 SER H H 1 8.434 0.020 . 1 . . . . . 25 SER H . 27176 1 124 . 1 1 25 25 SER HA H 1 4.423 0.020 . 1 . . . . . 25 SER HA . 27176 1 125 . 1 1 25 25 SER C C 13 174.889 0.3 . 1 . . . . . 25 SER C . 27176 1 126 . 1 1 25 25 SER CA C 13 58.458 0.3 . 1 . . . . . 25 SER CA . 27176 1 127 . 1 1 25 25 SER CB C 13 63.990 0.3 . 1 . . . . . 25 SER CB . 27176 1 128 . 1 1 25 25 SER N N 15 117.417 0.3 . 1 . . . . . 25 SER N . 27176 1 129 . 1 1 26 26 GLN H H 1 8.523 0.020 . 1 . . . . . 26 GLN H . 27176 1 130 . 1 1 26 26 GLN HA H 1 4.323 0.020 . 1 . . . . . 26 GLN HA . 27176 1 131 . 1 1 26 26 GLN C C 13 176.179 0.3 . 1 . . . . . 26 GLN C . 27176 1 132 . 1 1 26 26 GLN CA C 13 56.028 0.3 . 1 . . . . . 26 GLN CA . 27176 1 133 . 1 1 26 26 GLN CB C 13 29.581 0.3 . 1 . . . . . 26 GLN CB . 27176 1 134 . 1 1 26 26 GLN N N 15 122.590 0.3 . 1 . . . . . 26 GLN N . 27176 1 135 . 1 1 27 27 GLU H H 1 8.391 0.020 . 1 . . . . . 27 GLU H . 27176 1 136 . 1 1 27 27 GLU HA H 1 4.158 0.020 . 1 . . . . . 27 GLU HA . 27176 1 137 . 1 1 27 27 GLU HB2 H 1 2.163 0.020 . 2 . . . . . 27 GLU HB2 . 27176 1 138 . 1 1 27 27 GLU HB3 H 1 1.883 0.020 . 2 . . . . . 27 GLU HB3 . 27176 1 139 . 1 1 27 27 GLU CA C 13 57.151 0.3 . 1 . . . . . 27 GLU CA . 27176 1 140 . 1 1 27 27 GLU N N 15 121.653 0.3 . 1 . . . . . 27 GLU N . 27176 1 141 . 1 1 28 28 HIS HA H 1 4.613 0.020 . 1 . . . . . 28 HIS HA . 27176 1 142 . 1 1 28 28 HIS C C 13 175.212 0.3 . 1 . . . . . 28 HIS C . 27176 1 143 . 1 1 28 28 HIS CA C 13 56.163 0.3 . 1 . . . . . 28 HIS CA . 27176 1 144 . 1 1 28 28 HIS CB C 13 30.546 0.3 . 1 . . . . . 28 HIS CB . 27176 1 145 . 1 1 29 29 LYS H H 1 8.157 0.020 . 1 . . . . . 29 LYS H . 27176 1 146 . 1 1 29 29 LYS HA H 1 4.274 0.020 . 1 . . . . . 29 LYS HA . 27176 1 147 . 1 1 29 29 LYS C C 13 176.254 0.3 . 1 . . . . . 29 LYS C . 27176 1 148 . 1 1 29 29 LYS CA C 13 56.327 0.3 . 1 . . . . . 29 LYS CA . 27176 1 149 . 1 1 29 29 LYS CB C 13 33.285 0.3 . 1 . . . . . 29 LYS CB . 27176 1 150 . 1 1 29 29 LYS N N 15 122.693 0.3 . 1 . . . . . 29 LYS N . 27176 1 151 . 1 1 30 30 LEU H H 1 8.274 0.020 . 1 . . . . . 30 LEU H . 27176 1 152 . 1 1 30 30 LEU HA H 1 4.350 0.020 . 1 . . . . . 30 LEU HA . 27176 1 153 . 1 1 30 30 LEU C C 13 177.065 0.3 . 1 . . . . . 30 LEU C . 27176 1 154 . 1 1 30 30 LEU CA C 13 55.116 0.3 . 1 . . . . . 30 LEU CA . 27176 1 155 . 1 1 30 30 LEU CB C 13 42.443 0.3 . 1 . . . . . 30 LEU CB . 27176 1 156 . 1 1 30 30 LEU N N 15 123.717 0.3 . 1 . . . . . 30 LEU N . 27176 1 157 . 1 1 31 31 VAL H H 1 8.149 0.020 . 1 . . . . . 31 VAL H . 27176 1 158 . 1 1 31 31 VAL HA H 1 4.379 0.020 . 1 . . . . . 31 VAL HA . 27176 1 159 . 1 1 31 31 VAL HB H 1 2.043 0.020 . 1 . . . . . 31 VAL HB . 27176 1 160 . 1 1 31 31 VAL CA C 13 59.906 0.3 . 1 . . . . . 31 VAL CA . 27176 1 161 . 1 1 31 31 VAL N N 15 123.703 0.3 . 1 . . . . . 31 VAL N . 27176 1 162 . 1 1 32 32 PRO HA H 1 4.377 0.020 . 1 . . . . . 32 PRO HA . 27176 1 163 . 1 1 32 32 PRO C C 13 176.899 0.3 . 1 . . . . . 32 PRO C . 27176 1 164 . 1 1 32 32 PRO CA C 13 63.208 0.3 . 1 . . . . . 32 PRO CA . 27176 1 165 . 1 1 32 32 PRO CB C 13 32.360 0.3 . 1 . . . . . 32 PRO CB . 27176 1 166 . 1 1 33 33 ARG H H 1 8.448 0.020 . 1 . . . . . 33 ARG H . 27176 1 167 . 1 1 33 33 ARG HA H 1 4.271 0.020 . 1 . . . . . 33 ARG HA . 27176 1 168 . 1 1 33 33 ARG C C 13 176.910 0.3 . 1 . . . . . 33 ARG C . 27176 1 169 . 1 1 33 33 ARG CA C 13 56.471 0.3 . 1 . . . . . 33 ARG CA . 27176 1 170 . 1 1 33 33 ARG CB C 13 31.165 0.3 . 1 . . . . . 33 ARG CB . 27176 1 171 . 1 1 33 33 ARG N N 15 122.072 0.3 . 1 . . . . . 33 ARG N . 27176 1 172 . 1 1 34 34 GLY H H 1 8.428 0.020 . 1 . . . . . 34 GLY H . 27176 1 173 . 1 1 34 34 GLY C C 13 172.947 0.3 . 1 . . . . . 34 GLY C . 27176 1 174 . 1 1 34 34 GLY CA C 13 45.194 0.3 . 1 . . . . . 34 GLY CA . 27176 1 175 . 1 1 34 34 GLY N N 15 110.774 0.3 . 1 . . . . . 34 GLY N . 27176 1 176 . 1 1 35 35 SER H H 1 7.621 0.020 . 1 . . . . . 35 SER H . 27176 1 177 . 1 1 35 35 SER HA H 1 4.402 0.020 . 1 . . . . . 35 SER HA . 27176 1 178 . 1 1 35 35 SER C C 13 172.774 0.3 . 1 . . . . . 35 SER C . 27176 1 179 . 1 1 35 35 SER CA C 13 57.843 0.3 . 1 . . . . . 35 SER CA . 27176 1 180 . 1 1 35 35 SER CB C 13 64.926 0.3 . 1 . . . . . 35 SER CB . 27176 1 181 . 1 1 35 35 SER N N 15 113.730 0.3 . 1 . . . . . 35 SER N . 27176 1 182 . 1 1 36 36 PHE H H 1 8.531 0.020 . 1 . . . . . 36 PHE H . 27176 1 183 . 1 1 36 36 PHE HA H 1 4.784 0.020 . 1 . . . . . 36 PHE HA . 27176 1 184 . 1 1 36 36 PHE C C 13 173.729 0.3 . 1 . . . . . 36 PHE C . 27176 1 185 . 1 1 36 36 PHE CA C 13 56.628 0.3 . 1 . . . . . 36 PHE CA . 27176 1 186 . 1 1 36 36 PHE N N 15 120.073 0.3 . 1 . . . . . 36 PHE N . 27176 1 187 . 1 1 37 37 GLN H H 1 8.285 0.020 . 1 . . . . . 37 GLN H . 27176 1 188 . 1 1 37 37 GLN HA H 1 4.946 0.020 . 1 . . . . . 37 GLN HA . 27176 1 189 . 1 1 37 37 GLN C C 13 175.519 0.3 . 1 . . . . . 37 GLN C . 27176 1 190 . 1 1 37 37 GLN CA C 13 55.706 0.3 . 1 . . . . . 37 GLN CA . 27176 1 191 . 1 1 37 37 GLN CB C 13 30.643 0.3 . 1 . . . . . 37 GLN CB . 27176 1 192 . 1 1 37 37 GLN N N 15 119.442 0.3 . 1 . . . . . 37 GLN N . 27176 1 193 . 1 1 38 38 TYR H H 1 9.267 0.020 . 1 . . . . . 38 TYR H . 27176 1 194 . 1 1 38 38 TYR HA H 1 5.389 0.020 . 1 . . . . . 38 TYR HA . 27176 1 195 . 1 1 38 38 TYR C C 13 175.139 0.3 . 1 . . . . . 38 TYR C . 27176 1 196 . 1 1 38 38 TYR CA C 13 57.580 0.3 . 1 . . . . . 38 TYR CA . 27176 1 197 . 1 1 38 38 TYR CB C 13 43.207 0.3 . 1 . . . . . 38 TYR CB . 27176 1 198 . 1 1 38 38 TYR N N 15 125.847 0.3 . 1 . . . . . 38 TYR N . 27176 1 199 . 1 1 39 39 LYS H H 1 9.084 0.020 . 1 . . . . . 39 LYS H . 27176 1 200 . 1 1 39 39 LYS HA H 1 5.234 0.020 . 1 . . . . . 39 LYS HA . 27176 1 201 . 1 1 39 39 LYS C C 13 173.016 0.3 . 1 . . . . . 39 LYS C . 27176 1 202 . 1 1 39 39 LYS CA C 13 55.276 0.3 . 1 . . . . . 39 LYS CA . 27176 1 203 . 1 1 39 39 LYS CB C 13 36.227 0.3 . 1 . . . . . 39 LYS CB . 27176 1 204 . 1 1 39 39 LYS N N 15 122.820 0.3 . 1 . . . . . 39 LYS N . 27176 1 205 . 1 1 40 40 LEU H H 1 8.630 0.020 . 1 . . . . . 40 LEU H . 27176 1 206 . 1 1 40 40 LEU HA H 1 4.921 0.020 . 1 . . . . . 40 LEU HA . 27176 1 207 . 1 1 40 40 LEU HG H 1 0.746 0.020 . 1 . . . . . 40 LEU HG . 27176 1 208 . 1 1 40 40 LEU C C 13 174.685 0.3 . 1 . . . . . 40 LEU C . 27176 1 209 . 1 1 40 40 LEU CA C 13 52.848 0.3 . 1 . . . . . 40 LEU CA . 27176 1 210 . 1 1 40 40 LEU CB C 13 43.006 0.3 . 1 . . . . . 40 LEU CB . 27176 1 211 . 1 1 40 40 LEU N N 15 126.817 0.3 . 1 . . . . . 40 LEU N . 27176 1 212 . 1 1 41 41 ILE H H 1 9.048 0.020 . 1 . . . . . 41 ILE H . 27176 1 213 . 1 1 41 41 ILE HA H 1 4.314 0.020 . 1 . . . . . 41 ILE HA . 27176 1 214 . 1 1 41 41 ILE HB H 1 1.911 0.020 . 1 . . . . . 41 ILE HB . 27176 1 215 . 1 1 41 41 ILE C C 13 174.798 0.3 . 1 . . . . . 41 ILE C . 27176 1 216 . 1 1 41 41 ILE CA C 13 60.401 0.3 . 1 . . . . . 41 ILE CA . 27176 1 217 . 1 1 41 41 ILE CB C 13 38.502 0.3 . 1 . . . . . 41 ILE CB . 27176 1 218 . 1 1 41 41 ILE N N 15 126.684 0.3 . 1 . . . . . 41 ILE N . 27176 1 219 . 1 1 42 42 LEU H H 1 8.708 0.020 . 1 . . . . . 42 LEU H . 27176 1 220 . 1 1 42 42 LEU HA H 1 4.494 0.020 . 1 . . . . . 42 LEU HA . 27176 1 221 . 1 1 42 42 LEU C C 13 175.082 0.3 . 1 . . . . . 42 LEU C . 27176 1 222 . 1 1 42 42 LEU CA C 13 54.599 0.3 . 1 . . . . . 42 LEU CA . 27176 1 223 . 1 1 42 42 LEU CB C 13 42.620 0.3 . 1 . . . . . 42 LEU CB . 27176 1 224 . 1 1 42 42 LEU N N 15 126.004 0.3 . 1 . . . . . 42 LEU N . 27176 1 225 . 1 1 43 43 ASN H H 1 8.805 0.020 . 1 . . . . . 43 ASN H . 27176 1 226 . 1 1 43 43 ASN HA H 1 5.174 0.020 . 1 . . . . . 43 ASN HA . 27176 1 227 . 1 1 43 43 ASN C C 13 175.189 0.3 . 1 . . . . . 43 ASN C . 27176 1 228 . 1 1 43 43 ASN CA C 13 51.365 0.3 . 1 . . . . . 43 ASN CA . 27176 1 229 . 1 1 43 43 ASN CB C 13 38.458 0.3 . 1 . . . . . 43 ASN CB . 27176 1 230 . 1 1 43 43 ASN N N 15 125.689 0.3 . 1 . . . . . 43 ASN N . 27176 1 231 . 1 1 44 44 GLY H H 1 7.889 0.020 . 1 . . . . . 44 GLY H . 27176 1 232 . 1 1 44 44 GLY HA2 H 1 4.420 0.020 . 2 . . . . . 44 GLY HA2 . 27176 1 233 . 1 1 44 44 GLY HA3 H 1 4.002 0.020 . 2 . . . . . 44 GLY HA3 . 27176 1 234 . 1 1 44 44 GLY C C 13 173.576 0.3 . 1 . . . . . 44 GLY C . 27176 1 235 . 1 1 44 44 GLY CA C 13 44.761 0.3 . 1 . . . . . 44 GLY CA . 27176 1 236 . 1 1 44 44 GLY N N 15 109.888 0.3 . 1 . . . . . 44 GLY N . 27176 1 237 . 1 1 45 45 LYS H H 1 9.246 0.020 . 1 . . . . . 45 LYS H . 27176 1 238 . 1 1 45 45 LYS HA H 1 3.958 0.020 . 1 . . . . . 45 LYS HA . 27176 1 239 . 1 1 45 45 LYS C C 13 178.641 0.3 . 1 . . . . . 45 LYS C . 27176 1 240 . 1 1 45 45 LYS CA C 13 59.357 0.3 . 1 . . . . . 45 LYS CA . 27176 1 241 . 1 1 45 45 LYS CB C 13 32.878 0.3 . 1 . . . . . 45 LYS CB . 27176 1 242 . 1 1 45 45 LYS N N 15 121.479 0.3 . 1 . . . . . 45 LYS N . 27176 1 243 . 1 1 46 46 THR H H 1 8.816 0.020 . 1 . . . . . 46 THR H . 27176 1 244 . 1 1 46 46 THR HA H 1 4.357 0.020 . 1 . . . . . 46 THR HA . 27176 1 245 . 1 1 46 46 THR HB H 1 4.211 0.020 . 1 . . . . . 46 THR HB . 27176 1 246 . 1 1 46 46 THR C C 13 174.022 0.3 . 1 . . . . . 46 THR C . 27176 1 247 . 1 1 46 46 THR CA C 13 62.216 0.3 . 1 . . . . . 46 THR CA . 27176 1 248 . 1 1 46 46 THR CB C 13 69.922 0.3 . 1 . . . . . 46 THR CB . 27176 1 249 . 1 1 46 46 THR N N 15 109.213 0.3 . 1 . . . . . 46 THR N . 27176 1 250 . 1 1 47 47 LEU H H 1 7.343 0.020 . 1 . . . . . 47 LEU H . 27176 1 251 . 1 1 47 47 LEU HA H 1 4.395 0.020 . 1 . . . . . 47 LEU HA . 27176 1 252 . 1 1 47 47 LEU C C 13 173.621 0.3 . 1 . . . . . 47 LEU C . 27176 1 253 . 1 1 47 47 LEU CA C 13 55.289 0.3 . 1 . . . . . 47 LEU CA . 27176 1 254 . 1 1 47 47 LEU CB C 13 43.880 0.3 . 1 . . . . . 47 LEU CB . 27176 1 255 . 1 1 47 47 LEU N N 15 125.137 0.3 . 1 . . . . . 47 LEU N . 27176 1 256 . 1 1 48 48 LYS H H 1 8.141 0.020 . 1 . . . . . 48 LYS H . 27176 1 257 . 1 1 48 48 LYS HA H 1 5.093 0.020 . 1 . . . . . 48 LYS HA . 27176 1 258 . 1 1 48 48 LYS C C 13 176.311 0.3 . 1 . . . . . 48 LYS C . 27176 1 259 . 1 1 48 48 LYS CA C 13 54.230 0.3 . 1 . . . . . 48 LYS CA . 27176 1 260 . 1 1 48 48 LYS CB C 13 35.149 0.3 . 1 . . . . . 48 LYS CB . 27176 1 261 . 1 1 48 48 LYS N N 15 124.147 0.3 . 1 . . . . . 48 LYS N . 27176 1 262 . 1 1 49 49 GLY H H 1 8.396 0.020 . 1 . . . . . 49 GLY H . 27176 1 263 . 1 1 49 49 GLY C C 13 171.441 0.3 . 1 . . . . . 49 GLY C . 27176 1 264 . 1 1 49 49 GLY CA C 13 45.276 0.3 . 1 . . . . . 49 GLY CA . 27176 1 265 . 1 1 49 49 GLY N N 15 109.894 0.3 . 1 . . . . . 49 GLY N . 27176 1 266 . 1 1 50 50 GLU H H 1 8.419 0.020 . 1 . . . . . 50 GLU H . 27176 1 267 . 1 1 50 50 GLU HA H 1 5.616 0.020 . 1 . . . . . 50 GLU HA . 27176 1 268 . 1 1 50 50 GLU C C 13 175.408 0.3 . 1 . . . . . 50 GLU C . 27176 1 269 . 1 1 50 50 GLU CA C 13 54.714 0.3 . 1 . . . . . 50 GLU CA . 27176 1 270 . 1 1 50 50 GLU CB C 13 34.184 0.3 . 1 . . . . . 50 GLU CB . 27176 1 271 . 1 1 50 50 GLU N N 15 119.073 0.3 . 1 . . . . . 50 GLU N . 27176 1 272 . 1 1 51 51 THR H H 1 8.757 0.020 . 1 . . . . . 51 THR H . 27176 1 273 . 1 1 51 51 THR HA H 1 4.749 0.020 . 1 . . . . . 51 THR HA . 27176 1 274 . 1 1 51 51 THR C C 13 172.192 0.3 . 1 . . . . . 51 THR C . 27176 1 275 . 1 1 51 51 THR CA C 13 60.697 0.3 . 1 . . . . . 51 THR CA . 27176 1 276 . 1 1 51 51 THR CB C 13 69.802 0.3 . 1 . . . . . 51 THR CB . 27176 1 277 . 1 1 51 51 THR N N 15 116.322 0.3 . 1 . . . . . 51 THR N . 27176 1 278 . 1 1 52 52 THR H H 1 8.097 0.020 . 1 . . . . . 52 THR H . 27176 1 279 . 1 1 52 52 THR HA H 1 5.850 0.020 . 1 . . . . . 52 THR HA . 27176 1 280 . 1 1 52 52 THR C C 13 174.208 0.3 . 1 . . . . . 52 THR C . 27176 1 281 . 1 1 52 52 THR CA C 13 60.049 0.3 . 1 . . . . . 52 THR CA . 27176 1 282 . 1 1 52 52 THR CB C 13 73.713 0.3 . 1 . . . . . 52 THR CB . 27176 1 283 . 1 1 52 52 THR N N 15 112.230 0.3 . 1 . . . . . 52 THR N . 27176 1 284 . 1 1 53 53 THR H H 1 8.985 0.020 . 1 . . . . . 53 THR H . 27176 1 285 . 1 1 53 53 THR HA H 1 4.679 0.020 . 1 . . . . . 53 THR HA . 27176 1 286 . 1 1 53 53 THR C C 13 171.232 0.3 . 1 . . . . . 53 THR C . 27176 1 287 . 1 1 53 53 THR CA C 13 62.533 0.3 . 1 . . . . . 53 THR CA . 27176 1 288 . 1 1 53 53 THR CB C 13 70.227 0.3 . 1 . . . . . 53 THR CB . 27176 1 289 . 1 1 53 53 THR N N 15 114.956 0.3 . 1 . . . . . 53 THR N . 27176 1 290 . 1 1 54 54 GLU H H 1 8.030 0.020 . 1 . . . . . 54 GLU H . 27176 1 291 . 1 1 54 54 GLU HA H 1 5.546 0.020 . 1 . . . . . 54 GLU HA . 27176 1 292 . 1 1 54 54 GLU HB2 H 1 2.163 0.020 . 2 . . . . . 54 GLU HB2 . 27176 1 293 . 1 1 54 54 GLU HB3 H 1 1.923 0.020 . 2 . . . . . 54 GLU HB3 . 27176 1 294 . 1 1 54 54 GLU C C 13 176.354 0.3 . 1 . . . . . 54 GLU C . 27176 1 295 . 1 1 54 54 GLU CA C 13 55.009 0.3 . 1 . . . . . 54 GLU CA . 27176 1 296 . 1 1 54 54 GLU CB C 13 31.235 0.3 . 1 . . . . . 54 GLU CB . 27176 1 297 . 1 1 54 54 GLU N N 15 125.137 0.3 . 1 . . . . . 54 GLU N . 27176 1 298 . 1 1 55 55 ALA H H 1 9.414 0.020 . 1 . . . . . 55 ALA H . 27176 1 299 . 1 1 55 55 ALA HA H 1 4.964 0.020 . 1 . . . . . 55 ALA HA . 27176 1 300 . 1 1 55 55 ALA C C 13 177.399 0.3 . 1 . . . . . 55 ALA C . 27176 1 301 . 1 1 55 55 ALA CA C 13 51.256 0.3 . 1 . . . . . 55 ALA CA . 27176 1 302 . 1 1 55 55 ALA CB C 13 23.760 0.3 . 1 . . . . . 55 ALA CB . 27176 1 303 . 1 1 55 55 ALA N N 15 125.676 0.3 . 1 . . . . . 55 ALA N . 27176 1 304 . 1 1 56 56 VAL H H 1 8.451 0.020 . 1 . . . . . 56 VAL H . 27176 1 305 . 1 1 56 56 VAL HA H 1 4.384 0.020 . 1 . . . . . 56 VAL HA . 27176 1 306 . 1 1 56 56 VAL C C 13 174.946 0.3 . 1 . . . . . 56 VAL C . 27176 1 307 . 1 1 56 56 VAL CA C 13 63.386 0.3 . 1 . . . . . 56 VAL CA . 27176 1 308 . 1 1 56 56 VAL CB C 13 32.458 0.3 . 1 . . . . . 56 VAL CB . 27176 1 309 . 1 1 56 56 VAL N N 15 114.485 0.3 . 1 . . . . . 56 VAL N . 27176 1 310 . 1 1 57 57 ASP H H 1 7.389 0.020 . 1 . . . . . 57 ASP H . 27176 1 311 . 1 1 57 57 ASP HA H 1 4.775 0.020 . 1 . . . . . 57 ASP HA . 27176 1 312 . 1 1 57 57 ASP C C 13 174.912 0.3 . 1 . . . . . 57 ASP C . 27176 1 313 . 1 1 57 57 ASP CA C 13 52.911 0.3 . 1 . . . . . 57 ASP CA . 27176 1 314 . 1 1 57 57 ASP N N 15 114.705 0.3 . 1 . . . . . 57 ASP N . 27176 1 315 . 1 1 58 58 ALA H H 1 8.300 0.020 . 1 . . . . . 58 ALA H . 27176 1 316 . 1 1 58 58 ALA HA H 1 3.446 0.020 . 1 . . . . . 58 ALA HA . 27176 1 317 . 1 1 58 58 ALA C C 13 179.397 0.3 . 1 . . . . . 58 ALA C . 27176 1 318 . 1 1 58 58 ALA CA C 13 54.709 0.3 . 1 . . . . . 58 ALA CA . 27176 1 319 . 1 1 58 58 ALA CB C 13 17.764 0.3 . 1 . . . . . 58 ALA CB . 27176 1 320 . 1 1 58 58 ALA N N 15 121.465 0.3 . 1 . . . . . 58 ALA N . 27176 1 321 . 1 1 59 59 ALA H H 1 8.091 0.020 . 1 . . . . . 59 ALA H . 27176 1 322 . 1 1 59 59 ALA HA H 1 3.951 0.020 . 1 . . . . . 59 ALA HA . 27176 1 323 . 1 1 59 59 ALA C C 13 181.042 0.3 . 1 . . . . . 59 ALA C . 27176 1 324 . 1 1 59 59 ALA CA C 13 54.932 0.3 . 1 . . . . . 59 ALA CA . 27176 1 325 . 1 1 59 59 ALA CB C 13 18.157 0.3 . 1 . . . . . 59 ALA CB . 27176 1 326 . 1 1 59 59 ALA N N 15 120.805 0.3 . 1 . . . . . 59 ALA N . 27176 1 327 . 1 1 60 60 THR H H 1 8.302 0.020 . 1 . . . . . 60 THR H . 27176 1 328 . 1 1 60 60 THR HA H 1 3.695 0.020 . 1 . . . . . 60 THR HA . 27176 1 329 . 1 1 60 60 THR C C 13 176.275 0.3 . 1 . . . . . 60 THR C . 27176 1 330 . 1 1 60 60 THR CA C 13 67.091 0.3 . 1 . . . . . 60 THR CA . 27176 1 331 . 1 1 60 60 THR CB C 13 68.180 0.3 . 1 . . . . . 60 THR CB . 27176 1 332 . 1 1 60 60 THR N N 15 116.802 0.3 . 1 . . . . . 60 THR N . 27176 1 333 . 1 1 61 61 ALA H H 1 7.058 0.020 . 1 . . . . . 61 ALA H . 27176 1 334 . 1 1 61 61 ALA HA H 1 3.098 0.020 . 1 . . . . . 61 ALA HA . 27176 1 335 . 1 1 61 61 ALA C C 13 177.287 0.3 . 1 . . . . . 61 ALA C . 27176 1 336 . 1 1 61 61 ALA CA C 13 55.047 0.3 . 1 . . . . . 61 ALA CA . 27176 1 337 . 1 1 61 61 ALA CB C 13 17.669 0.3 . 1 . . . . . 61 ALA CB . 27176 1 338 . 1 1 61 61 ALA N N 15 123.942 0.3 . 1 . . . . . 61 ALA N . 27176 1 339 . 1 1 62 62 GLU H H 1 8.416 0.020 . 1 . . . . . 62 GLU H . 27176 1 340 . 1 1 62 62 GLU HA H 1 2.631 0.020 . 1 . . . . . 62 GLU HA . 27176 1 341 . 1 1 62 62 GLU C C 13 177.467 0.3 . 1 . . . . . 62 GLU C . 27176 1 342 . 1 1 62 62 GLU CA C 13 59.810 0.3 . 1 . . . . . 62 GLU CA . 27176 1 343 . 1 1 62 62 GLU CB C 13 29.521 0.3 . 1 . . . . . 62 GLU CB . 27176 1 344 . 1 1 62 62 GLU N N 15 117.086 0.3 . 1 . . . . . 62 GLU N . 27176 1 345 . 1 1 63 63 LYS H H 1 6.982 0.020 . 1 . . . . . 63 LYS H . 27176 1 346 . 1 1 63 63 LYS HA H 1 3.722 0.020 . 1 . . . . . 63 LYS HA . 27176 1 347 . 1 1 63 63 LYS C C 13 180.136 0.3 . 1 . . . . . 63 LYS C . 27176 1 348 . 1 1 63 63 LYS CA C 13 59.899 0.3 . 1 . . . . . 63 LYS CA . 27176 1 349 . 1 1 63 63 LYS CB C 13 32.584 0.3 . 1 . . . . . 63 LYS CB . 27176 1 350 . 1 1 63 63 LYS N N 15 116.966 0.3 . 1 . . . . . 63 LYS N . 27176 1 351 . 1 1 64 64 VAL H H 1 7.264 0.020 . 1 . . . . . 64 VAL H . 27176 1 352 . 1 1 64 64 VAL HA H 1 3.608 0.020 . 1 . . . . . 64 VAL HA . 27176 1 353 . 1 1 64 64 VAL HB H 1 1.743 0.020 . 1 . . . . . 64 VAL HB . 27176 1 354 . 1 1 64 64 VAL C C 13 179.893 0.3 . 1 . . . . . 64 VAL C . 27176 1 355 . 1 1 64 64 VAL CA C 13 66.162 0.3 . 1 . . . . . 64 VAL CA . 27176 1 356 . 1 1 64 64 VAL CB C 13 32.116 0.3 . 1 . . . . . 64 VAL CB . 27176 1 357 . 1 1 64 64 VAL N N 15 120.776 0.3 . 1 . . . . . 64 VAL N . 27176 1 358 . 1 1 65 65 PHE H H 1 8.456 0.020 . 1 . . . . . 65 PHE H . 27176 1 359 . 1 1 65 65 PHE HA H 1 4.755 0.020 . 1 . . . . . 65 PHE HA . 27176 1 360 . 1 1 65 65 PHE C C 13 178.472 0.3 . 1 . . . . . 65 PHE C . 27176 1 361 . 1 1 65 65 PHE CA C 13 56.734 0.3 . 1 . . . . . 65 PHE CA . 27176 1 362 . 1 1 65 65 PHE CB C 13 37.660 0.3 . 1 . . . . . 65 PHE CB . 27176 1 363 . 1 1 65 65 PHE N N 15 120.847 0.3 . 1 . . . . . 65 PHE N . 27176 1 364 . 1 1 66 66 LYS H H 1 9.157 0.020 . 1 . . . . . 66 LYS H . 27176 1 365 . 1 1 66 66 LYS HA H 1 4.148 0.020 . 1 . . . . . 66 LYS HA . 27176 1 366 . 1 1 66 66 LYS C C 13 179.695 0.3 . 1 . . . . . 66 LYS C . 27176 1 367 . 1 1 66 66 LYS CA C 13 59.989 0.3 . 1 . . . . . 66 LYS CA . 27176 1 368 . 1 1 66 66 LYS CB C 13 31.890 0.3 . 1 . . . . . 66 LYS CB . 27176 1 369 . 1 1 66 66 LYS N N 15 123.063 0.3 . 1 . . . . . 66 LYS N . 27176 1 370 . 1 1 67 67 GLN H H 1 7.459 0.020 . 1 . . . . . 67 GLN H . 27176 1 371 . 1 1 67 67 GLN HA H 1 4.041 0.020 . 1 . . . . . 67 GLN HA . 27176 1 372 . 1 1 67 67 GLN CA C 13 58.879 0.3 . 1 . . . . . 67 GLN CA . 27176 1 373 . 1 1 67 67 GLN N N 15 120.015 0.3 . 1 . . . . . 67 GLN N . 27176 1 374 . 1 1 68 68 TYR HA H 1 4.756 0.020 . 1 . . . . . 68 TYR HA . 27176 1 375 . 1 1 68 68 TYR C C 13 178.472 0.3 . 1 . . . . . 68 TYR C . 27176 1 376 . 1 1 68 68 TYR CA C 13 56.722 0.3 . 1 . . . . . 68 TYR CA . 27176 1 377 . 1 1 68 68 TYR CB C 13 37.660 0.3 . 1 . . . . . 68 TYR CB . 27176 1 378 . 1 1 69 69 ALA H H 1 9.163 0.020 . 1 . . . . . 69 ALA H . 27176 1 379 . 1 1 69 69 ALA HA H 1 3.772 0.020 . 1 . . . . . 69 ALA HA . 27176 1 380 . 1 1 69 69 ALA C C 13 179.440 0.3 . 1 . . . . . 69 ALA C . 27176 1 381 . 1 1 69 69 ALA CA C 13 56.420 0.3 . 1 . . . . . 69 ALA CA . 27176 1 382 . 1 1 69 69 ALA CB C 13 18.056 0.3 . 1 . . . . . 69 ALA CB . 27176 1 383 . 1 1 69 69 ALA N N 15 122.950 0.3 . 1 . . . . . 69 ALA N . 27176 1 384 . 1 1 70 70 ASN H H 1 8.266 0.020 . 1 . . . . . 70 ASN H . 27176 1 385 . 1 1 70 70 ASN HA H 1 4.431 0.020 . 1 . . . . . 70 ASN HA . 27176 1 386 . 1 1 70 70 ASN C C 13 179.503 0.3 . 1 . . . . . 70 ASN C . 27176 1 387 . 1 1 70 70 ASN CA C 13 57.091 0.3 . 1 . . . . . 70 ASN CA . 27176 1 388 . 1 1 70 70 ASN CB C 13 39.119 0.3 . 1 . . . . . 70 ASN CB . 27176 1 389 . 1 1 70 70 ASN N N 15 117.912 0.3 . 1 . . . . . 70 ASN N . 27176 1 390 . 1 1 71 71 ASP H H 1 8.934 0.020 . 1 . . . . . 71 ASP H . 27176 1 391 . 1 1 71 71 ASP HA H 1 4.353 0.020 . 1 . . . . . 71 ASP HA . 27176 1 392 . 1 1 71 71 ASP C C 13 177.243 0.3 . 1 . . . . . 71 ASP C . 27176 1 393 . 1 1 71 71 ASP CA C 13 57.116 0.3 . 1 . . . . . 71 ASP CA . 27176 1 394 . 1 1 71 71 ASP CB C 13 40.259 0.3 . 1 . . . . . 71 ASP CB . 27176 1 395 . 1 1 71 71 ASP N N 15 121.755 0.3 . 1 . . . . . 71 ASP N . 27176 1 396 . 1 1 72 72 ASN H H 1 7.370 0.020 . 1 . . . . . 72 ASN H . 27176 1 397 . 1 1 72 72 ASN HA H 1 4.600 0.020 . 1 . . . . . 72 ASN HA . 27176 1 398 . 1 1 72 72 ASN C C 13 174.150 0.3 . 1 . . . . . 72 ASN C . 27176 1 399 . 1 1 72 72 ASN CA C 13 53.910 0.3 . 1 . . . . . 72 ASN CA . 27176 1 400 . 1 1 72 72 ASN CB C 13 40.261 0.3 . 1 . . . . . 72 ASN CB . 27176 1 401 . 1 1 72 72 ASN N N 15 115.533 0.3 . 1 . . . . . 72 ASN N . 27176 1 402 . 1 1 73 73 GLY H H 1 7.781 0.020 . 1 . . . . . 73 GLY H . 27176 1 403 . 1 1 73 73 GLY C C 13 174.314 0.3 . 1 . . . . . 73 GLY C . 27176 1 404 . 1 1 73 73 GLY CA C 13 47.059 0.3 . 1 . . . . . 73 GLY CA . 27176 1 405 . 1 1 73 73 GLY N N 15 108.598 0.3 . 1 . . . . . 73 GLY N . 27176 1 406 . 1 1 74 74 VAL H H 1 8.128 0.020 . 1 . . . . . 74 VAL H . 27176 1 407 . 1 1 74 74 VAL HA H 1 4.138 0.020 . 1 . . . . . 74 VAL HA . 27176 1 408 . 1 1 74 74 VAL HB H 1 1.743 0.020 . 1 . . . . . 74 VAL HB . 27176 1 409 . 1 1 74 74 VAL C C 13 173.972 0.3 . 1 . . . . . 74 VAL C . 27176 1 410 . 1 1 74 74 VAL CA C 13 62.151 0.3 . 1 . . . . . 74 VAL CA . 27176 1 411 . 1 1 74 74 VAL CB C 13 33.468 0.3 . 1 . . . . . 74 VAL CB . 27176 1 412 . 1 1 74 74 VAL N N 15 121.024 0.3 . 1 . . . . . 74 VAL N . 27176 1 413 . 1 1 75 75 ASP H H 1 8.537 0.020 . 1 . . . . . 75 ASP H . 27176 1 414 . 1 1 75 75 ASP HA H 1 4.897 0.020 . 1 . . . . . 75 ASP HA . 27176 1 415 . 1 1 75 75 ASP C C 13 174.858 0.3 . 1 . . . . . 75 ASP C . 27176 1 416 . 1 1 75 75 ASP CA C 13 52.631 0.3 . 1 . . . . . 75 ASP CA . 27176 1 417 . 1 1 75 75 ASP CB C 13 43.422 0.3 . 1 . . . . . 75 ASP CB . 27176 1 418 . 1 1 75 75 ASP N N 15 128.008 0.3 . 1 . . . . . 75 ASP N . 27176 1 419 . 1 1 76 76 GLY H H 1 7.971 0.020 . 1 . . . . . 76 GLY H . 27176 1 420 . 1 1 76 76 GLY HA2 H 1 4.233 0.020 . 2 . . . . . 76 GLY HA2 . 27176 1 421 . 1 1 76 76 GLY HA3 H 1 3.723 0.020 . 2 . . . . . 76 GLY HA3 . 27176 1 422 . 1 1 76 76 GLY C C 13 171.894 0.3 . 1 . . . . . 76 GLY C . 27176 1 423 . 1 1 76 76 GLY CA C 13 45.673 0.3 . 1 . . . . . 76 GLY CA . 27176 1 424 . 1 1 76 76 GLY N N 15 108.126 0.3 . 1 . . . . . 76 GLY N . 27176 1 425 . 1 1 77 77 GLU H H 1 8.056 0.020 . 1 . . . . . 77 GLU H . 27176 1 426 . 1 1 77 77 GLU HA H 1 4.695 0.020 . 1 . . . . . 77 GLU HA . 27176 1 427 . 1 1 77 77 GLU HB2 H 1 2.302 0.020 . 2 . . . . . 77 GLU HB2 . 27176 1 428 . 1 1 77 77 GLU HB3 H 1 1.983 0.020 . 2 . . . . . 77 GLU HB3 . 27176 1 429 . 1 1 77 77 GLU C C 13 177.064 0.3 . 1 . . . . . 77 GLU C . 27176 1 430 . 1 1 77 77 GLU CA C 13 55.686 0.3 . 1 . . . . . 77 GLU CA . 27176 1 431 . 1 1 77 77 GLU CB C 13 31.789 0.3 . 1 . . . . . 77 GLU CB . 27176 1 432 . 1 1 77 77 GLU N N 15 120.632 0.3 . 1 . . . . . 77 GLU N . 27176 1 433 . 1 1 78 78 TRP H H 1 9.352 0.020 . 1 . . . . . 78 TRP H . 27176 1 434 . 1 1 78 78 TRP HA H 1 5.387 0.020 . 1 . . . . . 78 TRP HA . 27176 1 435 . 1 1 78 78 TRP C C 13 177.193 0.3 . 1 . . . . . 78 TRP C . 27176 1 436 . 1 1 78 78 TRP CA C 13 57.973 0.3 . 1 . . . . . 78 TRP CA . 27176 1 437 . 1 1 78 78 TRP CB C 13 30.798 0.3 . 1 . . . . . 78 TRP CB . 27176 1 438 . 1 1 78 78 TRP N N 15 128.340 0.3 . 1 . . . . . 78 TRP N . 27176 1 439 . 1 1 79 79 THR H H 1 9.260 0.020 . 1 . . . . . 79 THR H . 27176 1 440 . 1 1 79 79 THR HA H 1 4.839 0.020 . 1 . . . . . 79 THR HA . 27176 1 441 . 1 1 79 79 THR C C 13 172.860 0.3 . 1 . . . . . 79 THR C . 27176 1 442 . 1 1 79 79 THR CA C 13 60.690 0.3 . 1 . . . . . 79 THR CA . 27176 1 443 . 1 1 79 79 THR CB C 13 72.609 0.3 . 1 . . . . . 79 THR CB . 27176 1 444 . 1 1 79 79 THR N N 15 114.855 0.3 . 1 . . . . . 79 THR N . 27176 1 445 . 1 1 80 80 TYR H H 1 8.583 0.020 . 1 . . . . . 80 TYR H . 27176 1 446 . 1 1 80 80 TYR HA H 1 4.970 0.020 . 1 . . . . . 80 TYR HA . 27176 1 447 . 1 1 80 80 TYR C C 13 173.332 0.3 . 1 . . . . . 80 TYR C . 27176 1 448 . 1 1 80 80 TYR CA C 13 57.073 0.3 . 1 . . . . . 80 TYR CA . 27176 1 449 . 1 1 80 80 TYR CB C 13 41.835 0.3 . 1 . . . . . 80 TYR CB . 27176 1 450 . 1 1 80 80 TYR N N 15 120.968 0.3 . 1 . . . . . 80 TYR N . 27176 1 451 . 1 1 81 81 ASP H H 1 7.671 0.020 . 1 . . . . . 81 ASP H . 27176 1 452 . 1 1 81 81 ASP HA H 1 4.580 0.020 . 1 . . . . . 81 ASP HA . 27176 1 453 . 1 1 81 81 ASP C C 13 174.612 0.3 . 1 . . . . . 81 ASP C . 27176 1 454 . 1 1 81 81 ASP CA C 13 51.991 0.3 . 1 . . . . . 81 ASP CA . 27176 1 455 . 1 1 81 81 ASP N N 15 128.773 0.3 . 1 . . . . . 81 ASP N . 27176 1 456 . 1 1 82 82 ASP H H 1 8.505 0.020 . 1 . . . . . 82 ASP H . 27176 1 457 . 1 1 82 82 ASP HA H 1 4.334 0.020 . 1 . . . . . 82 ASP HA . 27176 1 458 . 1 1 82 82 ASP HB2 H 1 2.342 0.020 . 2 . . . . . 82 ASP HB2 . 27176 1 459 . 1 1 82 82 ASP HB3 H 1 2.003 0.020 . 2 . . . . . 82 ASP HB3 . 27176 1 460 . 1 1 82 82 ASP C C 13 178.294 0.3 . 1 . . . . . 82 ASP C . 27176 1 461 . 1 1 82 82 ASP CA C 13 56.419 0.3 . 1 . . . . . 82 ASP CA . 27176 1 462 . 1 1 82 82 ASP CB C 13 42.157 0.3 . 1 . . . . . 82 ASP CB . 27176 1 463 . 1 1 82 82 ASP N N 15 125.127 0.3 . 1 . . . . . 82 ASP N . 27176 1 464 . 1 1 83 83 ALA H H 1 8.277 0.020 . 1 . . . . . 83 ALA H . 27176 1 465 . 1 1 83 83 ALA HA H 1 4.051 0.020 . 1 . . . . . 83 ALA HA . 27176 1 466 . 1 1 83 83 ALA C C 13 179.832 0.3 . 1 . . . . . 83 ALA C . 27176 1 467 . 1 1 83 83 ALA CA C 13 55.218 0.3 . 1 . . . . . 83 ALA CA . 27176 1 468 . 1 1 83 83 ALA CB C 13 18.584 0.3 . 1 . . . . . 83 ALA CB . 27176 1 469 . 1 1 83 83 ALA N N 15 120.369 0.3 . 1 . . . . . 83 ALA N . 27176 1 470 . 1 1 84 84 THR H H 1 6.952 0.020 . 1 . . . . . 84 THR H . 27176 1 471 . 1 1 84 84 THR HA H 1 4.373 0.020 . 1 . . . . . 84 THR HA . 27176 1 472 . 1 1 84 84 THR C C 13 175.209 0.3 . 1 . . . . . 84 THR C . 27176 1 473 . 1 1 84 84 THR CA C 13 60.488 0.3 . 1 . . . . . 84 THR CA . 27176 1 474 . 1 1 84 84 THR CB C 13 70.438 0.3 . 1 . . . . . 84 THR CB . 27176 1 475 . 1 1 84 84 THR N N 15 103.435 0.3 . 1 . . . . . 84 THR N . 27176 1 476 . 1 1 85 85 LYS H H 1 7.808 0.020 . 1 . . . . . 85 LYS H . 27176 1 477 . 1 1 85 85 LYS HA H 1 4.081 0.020 . 1 . . . . . 85 LYS HA . 27176 1 478 . 1 1 85 85 LYS C C 13 174.985 0.3 . 1 . . . . . 85 LYS C . 27176 1 479 . 1 1 85 85 LYS CA C 13 57.614 0.3 . 1 . . . . . 85 LYS CA . 27176 1 480 . 1 1 85 85 LYS CB C 13 30.483 0.3 . 1 . . . . . 85 LYS CB . 27176 1 481 . 1 1 85 85 LYS N N 15 124.060 0.3 . 1 . . . . . 85 LYS N . 27176 1 482 . 1 1 86 86 THR H H 1 7.339 0.020 . 1 . . . . . 86 THR H . 27176 1 483 . 1 1 86 86 THR HA H 1 5.492 0.020 . 1 . . . . . 86 THR HA . 27176 1 484 . 1 1 86 86 THR HB H 1 3.739 0.020 . 1 . . . . . 86 THR HB . 27176 1 485 . 1 1 86 86 THR C C 13 174.953 0.3 . 1 . . . . . 86 THR C . 27176 1 486 . 1 1 86 86 THR CA C 13 62.407 0.3 . 1 . . . . . 86 THR CA . 27176 1 487 . 1 1 86 86 THR CB C 13 72.293 0.3 . 1 . . . . . 86 THR CB . 27176 1 488 . 1 1 86 86 THR N N 15 111.234 0.3 . 1 . . . . . 86 THR N . 27176 1 489 . 1 1 87 87 PHE H H 1 10.425 0.020 . 1 . . . . . 87 PHE H . 27176 1 490 . 1 1 87 87 PHE HA H 1 5.686 0.020 . 1 . . . . . 87 PHE HA . 27176 1 491 . 1 1 87 87 PHE C C 13 174.777 0.3 . 1 . . . . . 87 PHE C . 27176 1 492 . 1 1 87 87 PHE CA C 13 57.328 0.3 . 1 . . . . . 87 PHE CA . 27176 1 493 . 1 1 87 87 PHE CB C 13 43.127 0.3 . 1 . . . . . 87 PHE CB . 27176 1 494 . 1 1 87 87 PHE N N 15 131.294 0.3 . 1 . . . . . 87 PHE N . 27176 1 495 . 1 1 88 88 THR H H 1 9.074 0.020 . 1 . . . . . 88 THR H . 27176 1 496 . 1 1 88 88 THR HA H 1 5.188 0.020 . 1 . . . . . 88 THR HA . 27176 1 497 . 1 1 88 88 THR HB H 1 3.819 0.020 . 1 . . . . . 88 THR HB . 27176 1 498 . 1 1 88 88 THR CA C 13 61.630 0.3 . 1 . . . . . 88 THR CA . 27176 1 499 . 1 1 88 88 THR CB C 13 71.404 0.3 . 1 . . . . . 88 THR CB . 27176 1 500 . 1 1 88 88 THR N N 15 117.090 0.3 . 1 . . . . . 88 THR N . 27176 1 501 . 1 1 89 89 VAL H H 1 8.240 0.020 . 1 . . . . . 89 VAL H . 27176 1 502 . 1 1 89 89 VAL CA C 13 58.501 0.3 . 1 . . . . . 89 VAL CA . 27176 1 503 . 1 1 89 89 VAL CB C 13 32.739 0.3 . 1 . . . . . 89 VAL CB . 27176 1 504 . 1 1 89 89 VAL N N 15 123.473 0.3 . 1 . . . . . 89 VAL N . 27176 1 505 . 1 1 90 90 THR H H 1 8.347 0.020 . 1 . . . . . 90 THR H . 27176 1 506 . 1 1 90 90 THR HA H 1 4.697 0.020 . 1 . . . . . 90 THR HA . 27176 1 507 . 1 1 90 90 THR HB H 1 3.807 0.020 . 1 . . . . . 90 THR HB . 27176 1 508 . 1 1 90 90 THR C C 13 174.709 0.3 . 1 . . . . . 90 THR C . 27176 1 509 . 1 1 90 90 THR CA C 13 61.057 0.3 . 1 . . . . . 90 THR CA . 27176 1 510 . 1 1 90 90 THR CB C 13 70.804 0.3 . 1 . . . . . 90 THR CB . 27176 1 511 . 1 1 90 90 THR N N 15 123.611 0.3 . 1 . . . . . 90 THR N . 27176 1 512 . 1 1 91 91 GLU H H 1 8.205 0.020 . 1 . . . . . 91 GLU H . 27176 1 513 . 1 1 91 91 GLU HA H 1 4.536 0.020 . 1 . . . . . 91 GLU HA . 27176 1 514 . 1 1 91 91 GLU HB2 H 1 2.402 0.020 . 2 . . . . . 91 GLU HB2 . 27176 1 515 . 1 1 91 91 GLU HB3 H 1 2.083 0.020 . 2 . . . . . 91 GLU HB3 . 27176 1 516 . 1 1 91 91 GLU C C 13 175.796 0.3 . 1 . . . . . 91 GLU C . 27176 1 517 . 1 1 91 91 GLU CA C 13 56.373 0.3 . 1 . . . . . 91 GLU CA . 27176 1 518 . 1 1 91 91 GLU CB C 13 31.946 0.3 . 1 . . . . . 91 GLU CB . 27176 1 519 . 1 1 91 91 GLU N N 15 129.061 0.3 . 1 . . . . . 91 GLU N . 27176 1 520 . 1 1 92 92 SER H H 1 8.798 0.020 . 1 . . . . . 92 SER H . 27176 1 521 . 1 1 92 92 SER HA H 1 4.436 0.020 . 1 . . . . . 92 SER HA . 27176 1 522 . 1 1 92 92 SER C C 13 175.143 0.3 . 1 . . . . . 92 SER C . 27176 1 523 . 1 1 92 92 SER CA C 13 58.860 0.3 . 1 . . . . . 92 SER CA . 27176 1 524 . 1 1 92 92 SER CB C 13 64.020 0.3 . 1 . . . . . 92 SER CB . 27176 1 525 . 1 1 92 92 SER N N 15 119.945 0.3 . 1 . . . . . 92 SER N . 27176 1 526 . 1 1 93 93 GLY H H 1 8.631 0.020 . 1 . . . . . 93 GLY H . 27176 1 527 . 1 1 93 93 GLY HA2 H 1 3.939 0.020 . 2 . . . . . 93 GLY HA2 . 27176 1 528 . 1 1 93 93 GLY HA3 H 1 3.858 0.020 . 2 . . . . . 93 GLY HA3 . 27176 1 529 . 1 1 93 93 GLY CA C 13 45.377 0.3 . 1 . . . . . 93 GLY CA . 27176 1 530 . 1 1 93 93 GLY N N 15 111.256 0.3 . 1 . . . . . 93 GLY N . 27176 1 531 . 1 1 94 94 HIS H H 1 8.165 0.020 . 1 . . . . . 94 HIS H . 27176 1 532 . 1 1 94 94 HIS CA C 13 56.810 0.3 . 1 . . . . . 94 HIS CA . 27176 1 533 . 1 1 94 94 HIS CB C 13 30.651 0.3 . 1 . . . . . 94 HIS CB . 27176 1 534 . 1 1 94 94 HIS N N 15 119.239 0.3 . 1 . . . . . 94 HIS N . 27176 1 stop_ save_