data_34024 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34024 _Entry.Title ; Gp5.7 mutant L42A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-07-07 _Entry.Accession_date 2016-07-07 _Entry.Last_release_date 2017-08-08 _Entry.Original_release_date 2017-08-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 B. Liu B. . . . 34024 2 S. Matthews S. . . . 34024 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Transcription effector' . 34024 'anti-sigma effector' . 34024 transcription . 34024 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34024 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 272 34024 '15N chemical shifts' 67 34024 '1H chemical shifts' 420 34024 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2017-08-11 . original BMRB . 34024 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5LGM 'BMRB Entry Tracking System' 34024 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34024 _Citation.ID 1 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1093/nar/gku080 _Citation.PubMed_ID 24482445 _Citation.Full_citation . _Citation.Title ; A bacteriophage transcription regulator inhibits bacterial transcription initiation by sigma factor displacement. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume 42 _Citation.Journal_issue . _Citation.Journal_ASTM NARHAD _Citation.Journal_ISSN 1362-4962 _Citation.Journal_CSD 0389 _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 4294 _Citation.Page_last 4305 _Citation.Year 2014 _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 B. Liu B. . . . 34024 1 2 A. Shadrin A. . . . 34024 1 3 C. Sheppard C. . . . 34024 1 4 V. Mekler V. . . . 34024 1 5 Y. Xu Y. . . . 34024 1 6 K. Severinov K. . . . 34024 1 7 S. Matthews S. . . . 34024 1 8 S. Wigneshweraraj S. . . . 34024 1 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID 34024 _Citation.ID 2 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Gp5.7 mutant L42A ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'to be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 B. Liu B. . . . 34024 2 2 A. Shadrin A. . . . 34024 2 3 C. Sheppard C. . . . 34024 2 4 V. Mekler V. . . . 34024 2 5 Y. Xu Y. . . . 34024 2 6 K. Severinov K. . . . 34024 2 7 S. Matthews S. . . . 34024 2 8 S. Wigneshweraraj S. . . . 34024 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34024 _Assembly.ID 1 _Assembly.Name 'Fusion protein 5.5/5.7' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _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 entity_1 1 $entity_1 A A yes . . . . . . 34024 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34024 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSDYLKVLQAIKSCPKTFQS NYVRNNASLVAEAASRGHIS CATTSGRNGGAWEITASGTR FLKRMGGCV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 69 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7379.427 _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 16 MET . 34024 1 2 17 SER . 34024 1 3 18 ASP . 34024 1 4 19 TYR . 34024 1 5 20 LEU . 34024 1 6 21 LYS . 34024 1 7 22 VAL . 34024 1 8 23 LEU . 34024 1 9 24 GLN . 34024 1 10 25 ALA . 34024 1 11 26 ILE . 34024 1 12 27 LYS . 34024 1 13 28 SER . 34024 1 14 29 CYS . 34024 1 15 30 PRO . 34024 1 16 31 LYS . 34024 1 17 32 THR . 34024 1 18 33 PHE . 34024 1 19 34 GLN . 34024 1 20 35 SER . 34024 1 21 36 ASN . 34024 1 22 37 TYR . 34024 1 23 38 VAL . 34024 1 24 39 ARG . 34024 1 25 40 ASN . 34024 1 26 41 ASN . 34024 1 27 42 ALA . 34024 1 28 43 SER . 34024 1 29 44 LEU . 34024 1 30 45 VAL . 34024 1 31 46 ALA . 34024 1 32 47 GLU . 34024 1 33 48 ALA . 34024 1 34 49 ALA . 34024 1 35 50 SER . 34024 1 36 51 ARG . 34024 1 37 52 GLY . 34024 1 38 53 HIS . 34024 1 39 54 ILE . 34024 1 40 55 SER . 34024 1 41 56 CYS . 34024 1 42 57 ALA . 34024 1 43 58 THR . 34024 1 44 59 THR . 34024 1 45 60 SER . 34024 1 46 61 GLY . 34024 1 47 62 ARG . 34024 1 48 63 ASN . 34024 1 49 64 GLY . 34024 1 50 65 GLY . 34024 1 51 66 ALA . 34024 1 52 67 TRP . 34024 1 53 68 GLU . 34024 1 54 69 ILE . 34024 1 55 70 THR . 34024 1 56 71 ALA . 34024 1 57 72 SER . 34024 1 58 73 GLY . 34024 1 59 74 THR . 34024 1 60 75 ARG . 34024 1 61 76 PHE . 34024 1 62 77 LEU . 34024 1 63 78 LYS . 34024 1 64 79 ARG . 34024 1 65 80 MET . 34024 1 66 81 GLY . 34024 1 67 82 GLY . 34024 1 68 83 CYS . 34024 1 69 84 VAL . 34024 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 34024 1 . SER 2 2 34024 1 . ASP 3 3 34024 1 . TYR 4 4 34024 1 . LEU 5 5 34024 1 . LYS 6 6 34024 1 . VAL 7 7 34024 1 . LEU 8 8 34024 1 . GLN 9 9 34024 1 . ALA 10 10 34024 1 . ILE 11 11 34024 1 . LYS 12 12 34024 1 . SER 13 13 34024 1 . CYS 14 14 34024 1 . PRO 15 15 34024 1 . LYS 16 16 34024 1 . THR 17 17 34024 1 . PHE 18 18 34024 1 . GLN 19 19 34024 1 . SER 20 20 34024 1 . ASN 21 21 34024 1 . TYR 22 22 34024 1 . VAL 23 23 34024 1 . ARG 24 24 34024 1 . ASN 25 25 34024 1 . ASN 26 26 34024 1 . ALA 27 27 34024 1 . SER 28 28 34024 1 . LEU 29 29 34024 1 . VAL 30 30 34024 1 . ALA 31 31 34024 1 . GLU 32 32 34024 1 . ALA 33 33 34024 1 . ALA 34 34 34024 1 . SER 35 35 34024 1 . ARG 36 36 34024 1 . GLY 37 37 34024 1 . HIS 38 38 34024 1 . ILE 39 39 34024 1 . SER 40 40 34024 1 . CYS 41 41 34024 1 . ALA 42 42 34024 1 . THR 43 43 34024 1 . THR 44 44 34024 1 . SER 45 45 34024 1 . GLY 46 46 34024 1 . ARG 47 47 34024 1 . ASN 48 48 34024 1 . GLY 49 49 34024 1 . GLY 50 50 34024 1 . ALA 51 51 34024 1 . TRP 52 52 34024 1 . GLU 53 53 34024 1 . ILE 54 54 34024 1 . THR 55 55 34024 1 . ALA 56 56 34024 1 . SER 57 57 34024 1 . GLY 58 58 34024 1 . THR 59 59 34024 1 . ARG 60 60 34024 1 . PHE 61 61 34024 1 . LEU 62 62 34024 1 . LYS 63 63 34024 1 . ARG 64 64 34024 1 . MET 65 65 34024 1 . GLY 66 66 34024 1 . GLY 67 67 34024 1 . CYS 68 68 34024 1 . VAL 69 69 34024 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 34024 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10760 organism . 'Enterobacteria phage T7' 'Enterobacteria phage T7' . . Viruses . T7virus 'Escherichia virus T7' . . . . . . . . . . . 5.5 . 34024 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 34024 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli-Pichia pastoris shuttle vector pPpARG4' . . 1182032 . . . . . . . . . . . . 34024 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34024 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '300 mM NA sodium chloride, 50 mM NA sodium phosphate, 90% H2O/10% D2O' _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 entity_1 . . . 1 $entity_1 . . . . . mM . . . . 34024 1 2 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 34024 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 34024 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34024 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6 . pH 34024 1 pressure 1 . bar 34024 1 temperature 298 . K 34024 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34024 _Software.ID 1 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34024 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34024 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34024 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 34024 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 34024 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34024 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 34024 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34024 3 'peak picking' 34024 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34024 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34024 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 34024 _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 NMR_spectrometer_1 Bruker DRX . 600 . . . 34024 1 2 NMR_spectrometer_2 Bruker DRX . 800 . . . 34024 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 34024 _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 HSQC no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34024 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34024 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34024 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34024 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34024 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34024 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34024 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34024 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34024 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34024 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34024 _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 water protons . . . . ppm 4.78 internal indirect 0.25144953 . . . . . 34024 1 H 1 water protons . . . . ppm 4.78 internal indirect 1.0 . . . . . 34024 1 N 15 water protons . . . . ppm 4.78 internal indirect 0.10132912 . . . . . 34024 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34024 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 HSQC . . . 34024 1 2 '3D HNCO' . . . 34024 1 3 '3D HNCA' . . . 34024 1 4 '3D HNCACB' . . . 34024 1 5 '3D CBCA(CO)NH' . . . 34024 1 6 '3D HCCH-TOCSY' . . . 34024 1 7 '3D H(CCO)NH' . . . 34024 1 8 '3D 1H-13C NOESY' . . . 34024 1 9 '3D 1H-15N NOESY' . . . 34024 1 10 '3D HBHA(CO)NH' . . . 34024 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.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 H H 1 8.431 . . . . . . A 16 MET H1 . 34024 1 2 . 1 1 1 1 MET HA H 1 4.506 . . . . . . A 16 MET HA . 34024 1 3 . 1 1 1 1 MET HB2 H 1 2.274 . . . . . . A 16 MET HB2 . 34024 1 4 . 1 1 1 1 MET HB3 H 1 2.180 . . . . . . A 16 MET HB3 . 34024 1 5 . 1 1 1 1 MET HG2 H 1 2.754 . . . . . . A 16 MET HG2 . 34024 1 6 . 1 1 1 1 MET HG3 H 1 2.616 . . . . . . A 16 MET HG3 . 34024 1 7 . 1 1 1 1 MET C C 13 177.611 . . . . . . A 16 MET C . 34024 1 8 . 1 1 1 1 MET CA C 13 57.229 . . . . . . A 16 MET CA . 34024 1 9 . 1 1 1 1 MET CB C 13 31.179 . . . . . . A 16 MET CB . 34024 1 10 . 1 1 1 1 MET CG C 13 32.000 . . . . . . A 16 MET CG . 34024 1 11 . 1 1 1 1 MET N N 15 120.175 . . . . . . A 16 MET N . 34024 1 12 . 1 1 2 2 SER H H 1 8.292 . . . . . . A 17 SER H . 34024 1 13 . 1 1 2 2 SER HA H 1 4.194 . . . . . . A 17 SER HA . 34024 1 14 . 1 1 2 2 SER HB2 H 1 4.023 . . . . . . A 17 SER HB2 . 34024 1 15 . 1 1 2 2 SER HB3 H 1 4.023 . . . . . . A 17 SER HB3 . 34024 1 16 . 1 1 2 2 SER C C 13 177.595 . . . . . . A 17 SER C . 34024 1 17 . 1 1 2 2 SER CA C 13 61.850 . . . . . . A 17 SER CA . 34024 1 18 . 1 1 2 2 SER CB C 13 62.793 . . . . . . A 17 SER CB . 34024 1 19 . 1 1 2 2 SER N N 15 114.450 . . . . . . A 17 SER N . 34024 1 20 . 1 1 3 3 ASP H H 1 8.136 . . . . . . A 18 ASP H . 34024 1 21 . 1 1 3 3 ASP HA H 1 4.421 . . . . . . A 18 ASP HA . 34024 1 22 . 1 1 3 3 ASP HB2 H 1 2.847 . . . . . . A 18 ASP HB2 . 34024 1 23 . 1 1 3 3 ASP HB3 H 1 2.668 . . . . . . A 18 ASP HB3 . 34024 1 24 . 1 1 3 3 ASP C C 13 178.179 . . . . . . A 18 ASP C . 34024 1 25 . 1 1 3 3 ASP CA C 13 57.346 . . . . . . A 18 ASP CA . 34024 1 26 . 1 1 3 3 ASP CB C 13 40.424 . . . . . . A 18 ASP CB . 34024 1 27 . 1 1 3 3 ASP N N 15 121.546 . . . . . . A 18 ASP N . 34024 1 28 . 1 1 4 4 TYR H H 1 8.440 . . . . . . A 19 TYR H . 34024 1 29 . 1 1 4 4 TYR HA H 1 3.928 . . . . . . A 19 TYR HA . 34024 1 30 . 1 1 4 4 TYR HB2 H 1 3.273 . . . . . . A 19 TYR HB2 . 34024 1 31 . 1 1 4 4 TYR HB3 H 1 2.825 . . . . . . A 19 TYR HB3 . 34024 1 32 . 1 1 4 4 TYR HD1 H 1 6.972 . . . . . . A 19 TYR HD1 . 34024 1 33 . 1 1 4 4 TYR HD2 H 1 6.972 . . . . . . A 19 TYR HD2 . 34024 1 34 . 1 1 4 4 TYR HE1 H 1 6.533 . . . . . . A 19 TYR HE1 . 34024 1 35 . 1 1 4 4 TYR HE2 H 1 6.533 . . . . . . A 19 TYR HE2 . 34024 1 36 . 1 1 4 4 TYR C C 13 177.144 . . . . . . A 19 TYR C . 34024 1 37 . 1 1 4 4 TYR CA C 13 62.794 . . . . . . A 19 TYR CA . 34024 1 38 . 1 1 4 4 TYR CB C 13 39.146 . . . . . . A 19 TYR CB . 34024 1 39 . 1 1 4 4 TYR CD1 C 13 132.130 . . . . . . A 19 TYR CD1 . 34024 1 40 . 1 1 4 4 TYR CD2 C 13 132.130 . . . . . . A 19 TYR CD2 . 34024 1 41 . 1 1 4 4 TYR CE1 C 13 117.870 . . . . . . A 19 TYR CE1 . 34024 1 42 . 1 1 4 4 TYR CE2 C 13 117.870 . . . . . . A 19 TYR CE2 . 34024 1 43 . 1 1 4 4 TYR N N 15 122.269 . . . . . . A 19 TYR N . 34024 1 44 . 1 1 5 5 LEU H H 1 8.666 . . . . . . A 20 LEU H . 34024 1 45 . 1 1 5 5 LEU HA H 1 3.887 . . . . . . A 20 LEU HA . 34024 1 46 . 1 1 5 5 LEU HB2 H 1 2.000 . . . . . . A 20 LEU HB2 . 34024 1 47 . 1 1 5 5 LEU HB3 H 1 1.411 . . . . . . A 20 LEU HB3 . 34024 1 48 . 1 1 5 5 LEU HG H 1 2.169 . . . . . . A 20 LEU HG . 34024 1 49 . 1 1 5 5 LEU HD11 H 1 0.984 . . . . . . A 20 LEU HD11 . 34024 1 50 . 1 1 5 5 LEU HD12 H 1 0.984 . . . . . . A 20 LEU HD12 . 34024 1 51 . 1 1 5 5 LEU HD13 H 1 0.984 . . . . . . A 20 LEU HD13 . 34024 1 52 . 1 1 5 5 LEU HD21 H 1 0.883 . . . . . . A 20 LEU HD21 . 34024 1 53 . 1 1 5 5 LEU HD22 H 1 0.883 . . . . . . A 20 LEU HD22 . 34024 1 54 . 1 1 5 5 LEU HD23 H 1 0.883 . . . . . . A 20 LEU HD23 . 34024 1 55 . 1 1 5 5 LEU C C 13 179.330 . . . . . . A 20 LEU C . 34024 1 56 . 1 1 5 5 LEU CA C 13 57.909 . . . . . . A 20 LEU CA . 34024 1 57 . 1 1 5 5 LEU CB C 13 41.325 . . . . . . A 20 LEU CB . 34024 1 58 . 1 1 5 5 LEU CG C 13 27.000 . . . . . . A 20 LEU CG . 34024 1 59 . 1 1 5 5 LEU CD1 C 13 23.780 . . . . . . A 20 LEU CD1 . 34024 1 60 . 1 1 5 5 LEU CD2 C 13 26.300 . . . . . . A 20 LEU CD2 . 34024 1 61 . 1 1 5 5 LEU N N 15 117.290 . . . . . . A 20 LEU N . 34024 1 62 . 1 1 6 6 LYS H H 1 7.645 . . . . . . A 21 LYS H . 34024 1 63 . 1 1 6 6 LYS HA H 1 4.017 . . . . . . A 21 LYS HA . 34024 1 64 . 1 1 6 6 LYS HB2 H 1 2.051 . . . . . . A 21 LYS HB2 . 34024 1 65 . 1 1 6 6 LYS HB3 H 1 1.950 . . . . . . A 21 LYS HB3 . 34024 1 66 . 1 1 6 6 LYS HG2 H 1 1.758 . . . . . . A 21 LYS HG2 . 34024 1 67 . 1 1 6 6 LYS HG3 H 1 1.513 . . . . . . A 21 LYS HG3 . 34024 1 68 . 1 1 6 6 LYS HD2 H 1 1.755 . . . . . . A 21 LYS HD2 . 34024 1 69 . 1 1 6 6 LYS HD3 H 1 1.753 . . . . . . A 21 LYS HD3 . 34024 1 70 . 1 1 6 6 LYS HE2 H 1 3.018 . . . . . . A 21 LYS HE2 . 34024 1 71 . 1 1 6 6 LYS HE3 H 1 3.018 . . . . . . A 21 LYS HE3 . 34024 1 72 . 1 1 6 6 LYS C C 13 179.748 . . . . . . A 21 LYS C . 34024 1 73 . 1 1 6 6 LYS CA C 13 60.250 . . . . . . A 21 LYS CA . 34024 1 74 . 1 1 6 6 LYS CB C 13 32.380 . . . . . . A 21 LYS CB . 34024 1 75 . 1 1 6 6 LYS CG C 13 25.900 . . . . . . A 21 LYS CG . 34024 1 76 . 1 1 6 6 LYS CD C 13 29.548 . . . . . . A 21 LYS CD . 34024 1 77 . 1 1 6 6 LYS CE C 13 42.264 . . . . . . A 21 LYS CE . 34024 1 78 . 1 1 6 6 LYS N N 15 117.950 . . . . . . A 21 LYS N . 34024 1 79 . 1 1 7 7 VAL H H 1 7.466 . . . . . . A 22 VAL H . 34024 1 80 . 1 1 7 7 VAL HA H 1 4.386 . . . . . . A 22 VAL HA . 34024 1 81 . 1 1 7 7 VAL HB H 1 2.116 . . . . . . A 22 VAL HB . 34024 1 82 . 1 1 7 7 VAL HG11 H 1 0.691 . . . . . . A 22 VAL HG11 . 34024 1 83 . 1 1 7 7 VAL HG12 H 1 0.691 . . . . . . A 22 VAL HG12 . 34024 1 84 . 1 1 7 7 VAL HG13 H 1 0.691 . . . . . . A 22 VAL HG13 . 34024 1 85 . 1 1 7 7 VAL HG21 H 1 1.024 . . . . . . A 22 VAL HG21 . 34024 1 86 . 1 1 7 7 VAL HG22 H 1 1.024 . . . . . . A 22 VAL HG22 . 34024 1 87 . 1 1 7 7 VAL HG23 H 1 1.024 . . . . . . A 22 VAL HG23 . 34024 1 88 . 1 1 7 7 VAL C C 13 177.862 . . . . . . A 22 VAL C . 34024 1 89 . 1 1 7 7 VAL CA C 13 64.900 . . . . . . A 22 VAL CA . 34024 1 90 . 1 1 7 7 VAL CB C 13 31.111 . . . . . . A 22 VAL CB . 34024 1 91 . 1 1 7 7 VAL CG1 C 13 21.020 . . . . . . A 22 VAL CG1 . 34024 1 92 . 1 1 7 7 VAL CG2 C 13 23.395 . . . . . . A 22 VAL CG2 . 34024 1 93 . 1 1 7 7 VAL N N 15 122.173 . . . . . . A 22 VAL N . 34024 1 94 . 1 1 8 8 LEU H H 1 7.646 . . . . . . A 23 LEU H . 34024 1 95 . 1 1 8 8 LEU HA H 1 3.710 . . . . . . A 23 LEU HA . 34024 1 96 . 1 1 8 8 LEU HB2 H 1 1.847 . . . . . . A 23 LEU HB2 . 34024 1 97 . 1 1 8 8 LEU HB3 H 1 1.239 . . . . . . A 23 LEU HB3 . 34024 1 98 . 1 1 8 8 LEU HG H 1 1.368 . . . . . . A 23 LEU HG . 34024 1 99 . 1 1 8 8 LEU HD11 H 1 0.588 . . . . . . A 23 LEU HD11 . 34024 1 100 . 1 1 8 8 LEU HD12 H 1 0.588 . . . . . . A 23 LEU HD12 . 34024 1 101 . 1 1 8 8 LEU HD13 H 1 0.588 . . . . . . A 23 LEU HD13 . 34024 1 102 . 1 1 8 8 LEU HD21 H 1 0.812 . . . . . . A 23 LEU HD21 . 34024 1 103 . 1 1 8 8 LEU HD22 H 1 0.812 . . . . . . A 23 LEU HD22 . 34024 1 104 . 1 1 8 8 LEU HD23 H 1 0.812 . . . . . . A 23 LEU HD23 . 34024 1 105 . 1 1 8 8 LEU C C 13 178.896 . . . . . . A 23 LEU C . 34024 1 106 . 1 1 8 8 LEU CA C 13 58.166 . . . . . . A 23 LEU CA . 34024 1 107 . 1 1 8 8 LEU CB C 13 41.558 . . . . . . A 23 LEU CB . 34024 1 108 . 1 1 8 8 LEU CG C 13 26.470 . . . . . . A 23 LEU CG . 34024 1 109 . 1 1 8 8 LEU CD1 C 13 23.146 . . . . . . A 23 LEU CD1 . 34024 1 110 . 1 1 8 8 LEU CD2 C 13 26.273 . . . . . . A 23 LEU CD2 . 34024 1 111 . 1 1 8 8 LEU N N 15 117.764 . . . . . . A 23 LEU N . 34024 1 112 . 1 1 9 9 GLN H H 1 8.539 . . . . . . A 24 GLN H . 34024 1 113 . 1 1 9 9 GLN HA H 1 3.804 . . . . . . A 24 GLN HA . 34024 1 114 . 1 1 9 9 GLN HB2 H 1 2.181 . . . . . . A 24 GLN HB2 . 34024 1 115 . 1 1 9 9 GLN HB3 H 1 2.065 . . . . . . A 24 GLN HB3 . 34024 1 116 . 1 1 9 9 GLN HG2 H 1 2.437 . . . . . . A 24 GLN HG2 . 34024 1 117 . 1 1 9 9 GLN HG3 H 1 2.371 . . . . . . A 24 GLN HG3 . 34024 1 118 . 1 1 9 9 GLN C C 13 178.479 . . . . . . A 24 GLN C . 34024 1 119 . 1 1 9 9 GLN CA C 13 59.155 . . . . . . A 24 GLN CA . 34024 1 120 . 1 1 9 9 GLN CB C 13 28.675 . . . . . . A 24 GLN CB . 34024 1 121 . 1 1 9 9 GLN CG C 13 34.139 . . . . . . A 24 GLN CG . 34024 1 122 . 1 1 9 9 GLN N N 15 117.100 . . . . . . A 24 GLN N . 34024 1 123 . 1 1 10 10 ALA H H 1 8.138 . . . . . . A 25 ALA H . 34024 1 124 . 1 1 10 10 ALA HA H 1 4.010 . . . . . . A 25 ALA HA . 34024 1 125 . 1 1 10 10 ALA HB1 H 1 1.352 . . . . . . A 25 ALA HB1 . 34024 1 126 . 1 1 10 10 ALA HB2 H 1 1.352 . . . . . . A 25 ALA HB2 . 34024 1 127 . 1 1 10 10 ALA HB3 H 1 1.352 . . . . . . A 25 ALA HB3 . 34024 1 128 . 1 1 10 10 ALA C C 13 180.699 . . . . . . A 25 ALA C . 34024 1 129 . 1 1 10 10 ALA CA C 13 55.310 . . . . . . A 25 ALA CA . 34024 1 130 . 1 1 10 10 ALA CB C 13 18.435 . . . . . . A 25 ALA CB . 34024 1 131 . 1 1 10 10 ALA N N 15 123.675 . . . . . . A 25 ALA N . 34024 1 132 . 1 1 11 11 ILE H H 1 8.024 . . . . . . A 26 ILE H . 34024 1 133 . 1 1 11 11 ILE HA H 1 3.775 . . . . . . A 26 ILE HA . 34024 1 134 . 1 1 11 11 ILE HB H 1 1.710 . . . . . . A 26 ILE HB . 34024 1 135 . 1 1 11 11 ILE HG12 H 1 0.907 . . . . . . A 26 ILE HG12 . 34024 1 136 . 1 1 11 11 ILE HG13 H 1 1.837 . . . . . . A 26 ILE HG13 . 34024 1 137 . 1 1 11 11 ILE HG21 H 1 0.894 . . . . . . A 26 ILE HG21 . 34024 1 138 . 1 1 11 11 ILE HG22 H 1 0.894 . . . . . . A 26 ILE HG22 . 34024 1 139 . 1 1 11 11 ILE HG23 H 1 0.894 . . . . . . A 26 ILE HG23 . 34024 1 140 . 1 1 11 11 ILE HD11 H 1 0.700 . . . . . . A 26 ILE HD11 . 34024 1 141 . 1 1 11 11 ILE HD12 H 1 0.700 . . . . . . A 26 ILE HD12 . 34024 1 142 . 1 1 11 11 ILE HD13 H 1 0.700 . . . . . . A 26 ILE HD13 . 34024 1 143 . 1 1 11 11 ILE C C 13 177.762 . . . . . . A 26 ILE C . 34024 1 144 . 1 1 11 11 ILE CA C 13 64.299 . . . . . . A 26 ILE CA . 34024 1 145 . 1 1 11 11 ILE CB C 13 38.054 . . . . . . A 26 ILE CB . 34024 1 146 . 1 1 11 11 ILE CG1 C 13 30.900 . . . . . . A 26 ILE CG1 . 34024 1 147 . 1 1 11 11 ILE CG2 C 13 17.514 . . . . . . A 26 ILE CG2 . 34024 1 148 . 1 1 11 11 ILE CD1 C 13 14.140 . . . . . . A 26 ILE CD1 . 34024 1 149 . 1 1 11 11 ILE N N 15 119.222 . . . . . . A 26 ILE N . 34024 1 150 . 1 1 12 12 LYS H H 1 8.565 . . . . . . A 27 LYS H . 34024 1 151 . 1 1 12 12 LYS HA H 1 3.967 . . . . . . A 27 LYS HA . 34024 1 152 . 1 1 12 12 LYS HB2 H 1 1.970 . . . . . . A 27 LYS HB2 . 34024 1 153 . 1 1 12 12 LYS HB3 H 1 1.742 . . . . . . A 27 LYS HB3 . 34024 1 154 . 1 1 12 12 LYS HG2 H 1 1.390 . . . . . . A 27 LYS HG2 . 34024 1 155 . 1 1 12 12 LYS HG3 H 1 1.393 . . . . . . A 27 LYS HG3 . 34024 1 156 . 1 1 12 12 LYS HD2 H 1 1.600 . . . . . . A 27 LYS HD2 . 34024 1 157 . 1 1 12 12 LYS HD3 H 1 1.600 . . . . . . A 27 LYS HD3 . 34024 1 158 . 1 1 12 12 LYS HE2 H 1 3.070 . . . . . . A 27 LYS HE2 . 34024 1 159 . 1 1 12 12 LYS HE3 H 1 3.070 . . . . . . A 27 LYS HE3 . 34024 1 160 . 1 1 12 12 LYS C C 13 178.312 . . . . . . A 27 LYS C . 34024 1 161 . 1 1 12 12 LYS CA C 13 59.337 . . . . . . A 27 LYS CA . 34024 1 162 . 1 1 12 12 LYS CB C 13 32.446 . . . . . . A 27 LYS CB . 34024 1 163 . 1 1 12 12 LYS CG C 13 25.021 . . . . . . A 27 LYS CG . 34024 1 164 . 1 1 12 12 LYS CD C 13 30.021 . . . . . . A 27 LYS CD . 34024 1 165 . 1 1 12 12 LYS CE C 13 42.426 . . . . . . A 27 LYS CE . 34024 1 166 . 1 1 12 12 LYS N N 15 121.057 . . . . . . A 27 LYS N . 34024 1 167 . 1 1 13 13 SER H H 1 7.890 . . . . . . A 28 SER H . 34024 1 168 . 1 1 13 13 SER HA H 1 4.187 . . . . . . A 28 SER HA . 34024 1 169 . 1 1 13 13 SER HB2 H 1 3.986 . . . . . . A 28 SER HB2 . 34024 1 170 . 1 1 13 13 SER HB3 H 1 3.986 . . . . . . A 28 SER HB3 . 34024 1 171 . 1 1 13 13 SER C C 13 175.308 . . . . . . A 28 SER C . 34024 1 172 . 1 1 13 13 SER CA C 13 61.737 . . . . . . A 28 SER CA . 34024 1 173 . 1 1 13 13 SER CB C 13 64.000 . . . . . . A 28 SER CB . 34024 1 174 . 1 1 13 13 SER N N 15 112.526 . . . . . . A 28 SER N . 34024 1 175 . 1 1 14 14 CYS H H 1 7.599 . . . . . . A 29 CYS H . 34024 1 176 . 1 1 14 14 CYS HA H 1 4.698 . . . . . . A 29 CYS HA . 34024 1 177 . 1 1 14 14 CYS HB2 H 1 2.913 . . . . . . A 29 CYS HB2 . 34024 1 178 . 1 1 14 14 CYS HB3 H 1 2.669 . . . . . . A 29 CYS HB3 . 34024 1 179 . 1 1 14 14 CYS C C 13 170.085 . . . . . . A 29 CYS C . 34024 1 180 . 1 1 14 14 CYS CA C 13 57.479 . . . . . . A 29 CYS CA . 34024 1 181 . 1 1 14 14 CYS CB C 13 28.274 . . . . . . A 29 CYS CB . 34024 1 182 . 1 1 14 14 CYS N N 15 120.102 . . . . . . A 29 CYS N . 34024 1 183 . 1 1 17 17 THR HA H 1 4.534 . . . . . . A 32 THR HA . 34024 1 184 . 1 1 17 17 THR HB H 1 4.646 . . . . . . A 32 THR HB . 34024 1 185 . 1 1 17 17 THR HG21 H 1 1.348 . . . . . . A 32 THR HG21 . 34024 1 186 . 1 1 17 17 THR HG22 H 1 1.348 . . . . . . A 32 THR HG22 . 34024 1 187 . 1 1 17 17 THR HG23 H 1 1.348 . . . . . . A 32 THR HG23 . 34024 1 188 . 1 1 17 17 THR CA C 13 61.893 . . . . . . A 32 THR CA . 34024 1 189 . 1 1 17 17 THR CB C 13 70.040 . . . . . . A 32 THR CB . 34024 1 190 . 1 1 17 17 THR CG2 C 13 22.394 . . . . . . A 32 THR CG2 . 34024 1 191 . 1 1 18 18 PHE H H 1 8.056 . . . . . . A 33 PHE H . 34024 1 192 . 1 1 18 18 PHE HA H 1 4.590 . . . . . . A 33 PHE HA . 34024 1 193 . 1 1 18 18 PHE HB2 H 1 3.309 . . . . . . A 33 PHE HB2 . 34024 1 194 . 1 1 18 18 PHE HB3 H 1 3.138 . . . . . . A 33 PHE HB3 . 34024 1 195 . 1 1 18 18 PHE HD1 H 1 6.990 . . . . . . A 33 PHE HD1 . 34024 1 196 . 1 1 18 18 PHE HD2 H 1 6.990 . . . . . . A 33 PHE HD2 . 34024 1 197 . 1 1 18 18 PHE HE1 H 1 6.495 . . . . . . A 33 PHE HE1 . 34024 1 198 . 1 1 18 18 PHE HE2 H 1 6.495 . . . . . . A 33 PHE HE2 . 34024 1 199 . 1 1 18 18 PHE CA C 13 58.509 . . . . . . A 33 PHE CA . 34024 1 200 . 1 1 18 18 PHE CB C 13 37.920 . . . . . . A 33 PHE CB . 34024 1 201 . 1 1 18 18 PHE CD1 C 13 129.750 . . . . . . A 33 PHE CD1 . 34024 1 202 . 1 1 18 18 PHE CD2 C 13 129.750 . . . . . . A 33 PHE CD2 . 34024 1 203 . 1 1 18 18 PHE CE1 C 13 130.870 . . . . . . A 33 PHE CE1 . 34024 1 204 . 1 1 18 18 PHE CE2 C 13 130.870 . . . . . . A 33 PHE CE2 . 34024 1 205 . 1 1 18 18 PHE N N 15 120.594 . . . . . . A 33 PHE N . 34024 1 206 . 1 1 19 19 GLN H H 1 8.144 . . . . . . A 34 GLN H . 34024 1 207 . 1 1 19 19 GLN HA H 1 4.510 . . . . . . A 34 GLN HA . 34024 1 208 . 1 1 19 19 GLN HB2 H 1 2.321 . . . . . . A 34 GLN HB2 . 34024 1 209 . 1 1 19 19 GLN HB3 H 1 2.063 . . . . . . A 34 GLN HB3 . 34024 1 210 . 1 1 19 19 GLN HG2 H 1 2.450 . . . . . . A 34 GLN HG2 . 34024 1 211 . 1 1 19 19 GLN HG3 H 1 2.450 . . . . . . A 34 GLN HG3 . 34024 1 212 . 1 1 19 19 GLN C C 13 175.759 . . . . . . A 34 GLN C . 34024 1 213 . 1 1 19 19 GLN CA C 13 55.744 . . . . . . A 34 GLN CA . 34024 1 214 . 1 1 19 19 GLN CB C 13 28.274 . . . . . . A 34 GLN CB . 34024 1 215 . 1 1 19 19 GLN CG C 13 34.056 . . . . . . A 34 GLN CG . 34024 1 216 . 1 1 19 19 GLN N N 15 113.996 . . . . . . A 34 GLN N . 34024 1 217 . 1 1 20 20 SER H H 1 7.721 . . . . . . A 35 SER H . 34024 1 218 . 1 1 20 20 SER HA H 1 4.282 . . . . . . A 35 SER HA . 34024 1 219 . 1 1 20 20 SER HB2 H 1 4.383 . . . . . . A 35 SER HB2 . 34024 1 220 . 1 1 20 20 SER HB3 H 1 4.383 . . . . . . A 35 SER HB3 . 34024 1 221 . 1 1 20 20 SER C C 13 175.308 . . . . . . A 35 SER C . 34024 1 222 . 1 1 20 20 SER CA C 13 59.280 . . . . . . A 35 SER CA . 34024 1 223 . 1 1 20 20 SER CB C 13 64.900 . . . . . . A 35 SER CB . 34024 1 224 . 1 1 20 20 SER N N 15 116.576 . . . . . . A 35 SER N . 34024 1 225 . 1 1 21 21 ASN H H 1 7.612 . . . . . . A 36 ASN H . 34024 1 226 . 1 1 21 21 ASN HA H 1 4.746 . . . . . . A 36 ASN HA . 34024 1 227 . 1 1 21 21 ASN HB2 H 1 2.870 . . . . . . A 36 ASN HB2 . 34024 1 228 . 1 1 21 21 ASN HB3 H 1 2.767 . . . . . . A 36 ASN HB3 . 34024 1 229 . 1 1 21 21 ASN CA C 13 53.450 . . . . . . A 36 ASN CA . 34024 1 230 . 1 1 21 21 ASN CB C 13 39.000 . . . . . . A 36 ASN CB . 34024 1 231 . 1 1 21 21 ASN N N 15 113.000 . . . . . . A 36 ASN N . 34024 1 232 . 1 1 22 22 TYR H H 1 6.910 . . . . . . A 37 TYR H . 34024 1 233 . 1 1 22 22 TYR HA H 1 4.001 . . . . . . A 37 TYR HA . 34024 1 234 . 1 1 22 22 TYR HB2 H 1 3.415 . . . . . . A 37 TYR HB2 . 34024 1 235 . 1 1 22 22 TYR HB3 H 1 2.730 . . . . . . A 37 TYR HB3 . 34024 1 236 . 1 1 22 22 TYR HD1 H 1 6.869 . . . . . . A 37 TYR HD1 . 34024 1 237 . 1 1 22 22 TYR HD2 H 1 6.869 . . . . . . A 37 TYR HD2 . 34024 1 238 . 1 1 22 22 TYR HE1 H 1 6.621 . . . . . . A 37 TYR HE1 . 34024 1 239 . 1 1 22 22 TYR HE2 H 1 6.621 . . . . . . A 37 TYR HE2 . 34024 1 240 . 1 1 22 22 TYR C C 13 178.212 . . . . . . A 37 TYR C . 34024 1 241 . 1 1 22 22 TYR CA C 13 62.921 . . . . . . A 37 TYR CA . 34024 1 242 . 1 1 22 22 TYR CB C 13 39.234 . . . . . . A 37 TYR CB . 34024 1 243 . 1 1 22 22 TYR CD1 C 13 132.600 . . . . . . A 37 TYR CD1 . 34024 1 244 . 1 1 22 22 TYR CD2 C 13 132.600 . . . . . . A 37 TYR CD2 . 34024 1 245 . 1 1 22 22 TYR CE1 C 13 118.000 . . . . . . A 37 TYR CE1 . 34024 1 246 . 1 1 22 22 TYR CE2 C 13 118.000 . . . . . . A 37 TYR CE2 . 34024 1 247 . 1 1 22 22 TYR N N 15 112.100 . . . . . . A 37 TYR N . 34024 1 248 . 1 1 23 23 VAL H H 1 7.590 . . . . . . A 38 VAL H . 34024 1 249 . 1 1 23 23 VAL HA H 1 3.400 . . . . . . A 38 VAL HA . 34024 1 250 . 1 1 23 23 VAL HB H 1 2.310 . . . . . . A 38 VAL HB . 34024 1 251 . 1 1 23 23 VAL HG11 H 1 1.124 . . . . . . A 38 VAL HG11 . 34024 1 252 . 1 1 23 23 VAL HG12 H 1 1.124 . . . . . . A 38 VAL HG12 . 34024 1 253 . 1 1 23 23 VAL HG13 H 1 1.124 . . . . . . A 38 VAL HG13 . 34024 1 254 . 1 1 23 23 VAL HG21 H 1 1.226 . . . . . . A 38 VAL HG21 . 34024 1 255 . 1 1 23 23 VAL HG22 H 1 1.226 . . . . . . A 38 VAL HG22 . 34024 1 256 . 1 1 23 23 VAL HG23 H 1 1.226 . . . . . . A 38 VAL HG23 . 34024 1 257 . 1 1 23 23 VAL C C 13 177.344 . . . . . . A 38 VAL C . 34024 1 258 . 1 1 23 23 VAL CA C 13 66.250 . . . . . . A 38 VAL CA . 34024 1 259 . 1 1 23 23 VAL CB C 13 31.378 . . . . . . A 38 VAL CB . 34024 1 260 . 1 1 23 23 VAL CG1 C 13 22.087 . . . . . . A 38 VAL CG1 . 34024 1 261 . 1 1 23 23 VAL CG2 C 13 24.552 . . . . . . A 38 VAL CG2 . 34024 1 262 . 1 1 23 23 VAL N N 15 117.937 . . . . . . A 38 VAL N . 34024 1 263 . 1 1 24 24 ARG H H 1 7.763 . . . . . . A 39 ARG H . 34024 1 264 . 1 1 24 24 ARG HA H 1 4.023 . . . . . . A 39 ARG HA . 34024 1 265 . 1 1 24 24 ARG HB2 H 1 1.921 . . . . . . A 39 ARG HB2 . 34024 1 266 . 1 1 24 24 ARG HB3 H 1 1.877 . . . . . . A 39 ARG HB3 . 34024 1 267 . 1 1 24 24 ARG HG2 H 1 1.635 . . . . . . A 39 ARG HG2 . 34024 1 268 . 1 1 24 24 ARG HG3 H 1 1.635 . . . . . . A 39 ARG HG3 . 34024 1 269 . 1 1 24 24 ARG HD2 H 1 3.250 . . . . . . A 39 ARG HD2 . 34024 1 270 . 1 1 24 24 ARG HD3 H 1 3.248 . . . . . . A 39 ARG HD3 . 34024 1 271 . 1 1 24 24 ARG C C 13 179.481 . . . . . . A 39 ARG C . 34024 1 272 . 1 1 24 24 ARG CA C 13 59.537 . . . . . . A 39 ARG CA . 34024 1 273 . 1 1 24 24 ARG CB C 13 30.015 . . . . . . A 39 ARG CB . 34024 1 274 . 1 1 24 24 ARG CG C 13 27.770 . . . . . . A 39 ARG CG . 34024 1 275 . 1 1 24 24 ARG CD C 13 43.408 . . . . . . A 39 ARG CD . 34024 1 276 . 1 1 24 24 ARG N N 15 118.513 . . . . . . A 39 ARG N . 34024 1 277 . 1 1 25 25 ASN H H 1 8.403 . . . . . . A 40 ASN H . 34024 1 278 . 1 1 25 25 ASN HA H 1 4.556 . . . . . . A 40 ASN HA . 34024 1 279 . 1 1 25 25 ASN HB2 H 1 2.744 . . . . . . A 40 ASN HB2 . 34024 1 280 . 1 1 25 25 ASN HB3 H 1 2.663 . . . . . . A 40 ASN HB3 . 34024 1 281 . 1 1 25 25 ASN C C 13 175.609 . . . . . . A 40 ASN C . 34024 1 282 . 1 1 25 25 ASN CA C 13 54.609 . . . . . . A 40 ASN CA . 34024 1 283 . 1 1 25 25 ASN CB C 13 38.421 . . . . . . A 40 ASN CB . 34024 1 284 . 1 1 25 25 ASN N N 15 115.912 . . . . . . A 40 ASN N . 34024 1 285 . 1 1 26 26 ASN H H 1 7.342 . . . . . . A 41 ASN H . 34024 1 286 . 1 1 26 26 ASN HA H 1 5.125 . . . . . . A 41 ASN HA . 34024 1 287 . 1 1 26 26 ASN HB2 H 1 2.636 . . . . . . A 41 ASN HB2 . 34024 1 288 . 1 1 26 26 ASN HB3 H 1 2.002 . . . . . . A 41 ASN HB3 . 34024 1 289 . 1 1 26 26 ASN C C 13 175.542 . . . . . . A 41 ASN C . 34024 1 290 . 1 1 26 26 ASN CA C 13 52.673 . . . . . . A 41 ASN CA . 34024 1 291 . 1 1 26 26 ASN CB C 13 39.122 . . . . . . A 41 ASN CB . 34024 1 292 . 1 1 26 26 ASN N N 15 117.725 . . . . . . A 41 ASN N . 34024 1 293 . 1 1 27 27 ALA H H 1 6.978 . . . . . . A 42 ALA H . 34024 1 294 . 1 1 27 27 ALA HA H 1 3.917 . . . . . . A 42 ALA HA . 34024 1 295 . 1 1 27 27 ALA HB1 H 1 1.525 . . . . . . A 42 ALA HB1 . 34024 1 296 . 1 1 27 27 ALA HB2 H 1 1.525 . . . . . . A 42 ALA HB2 . 34024 1 297 . 1 1 27 27 ALA HB3 H 1 1.525 . . . . . . A 42 ALA HB3 . 34024 1 298 . 1 1 27 27 ALA C C 13 180.398 . . . . . . A 42 ALA C . 34024 1 299 . 1 1 27 27 ALA CA C 13 57.048 . . . . . . A 42 ALA CA . 34024 1 300 . 1 1 27 27 ALA CB C 13 19.260 . . . . . . A 42 ALA CB . 34024 1 301 . 1 1 27 27 ALA N N 15 122.954 . . . . . . A 42 ALA N . 34024 1 302 . 1 1 28 28 SER H H 1 8.767 . . . . . . A 43 SER H . 34024 1 303 . 1 1 28 28 SER HA H 1 4.229 . . . . . . A 43 SER HA . 34024 1 304 . 1 1 28 28 SER HB2 H 1 3.950 . . . . . . A 43 SER HB2 . 34024 1 305 . 1 1 28 28 SER HB3 H 1 3.950 . . . . . . A 43 SER HB3 . 34024 1 306 . 1 1 28 28 SER C C 13 177.344 . . . . . . A 43 SER C . 34024 1 307 . 1 1 28 28 SER CA C 13 62.364 . . . . . . A 43 SER CA . 34024 1 308 . 1 1 28 28 SER CB C 13 62.279 . . . . . . A 43 SER CB . 34024 1 309 . 1 1 28 28 SER N N 15 113.570 . . . . . . A 43 SER N . 34024 1 310 . 1 1 29 29 LEU H H 1 7.591 . . . . . . A 44 LEU H . 34024 1 311 . 1 1 29 29 LEU HA H 1 4.388 . . . . . . A 44 LEU HA . 34024 1 312 . 1 1 29 29 LEU HB2 H 1 1.927 . . . . . . A 44 LEU HB2 . 34024 1 313 . 1 1 29 29 LEU HB3 H 1 1.454 . . . . . . A 44 LEU HB3 . 34024 1 314 . 1 1 29 29 LEU HG H 1 1.853 . . . . . . A 44 LEU HG . 34024 1 315 . 1 1 29 29 LEU HD11 H 1 0.973 . . . . . . A 44 LEU HD11 . 34024 1 316 . 1 1 29 29 LEU HD12 H 1 0.973 . . . . . . A 44 LEU HD12 . 34024 1 317 . 1 1 29 29 LEU HD13 H 1 0.973 . . . . . . A 44 LEU HD13 . 34024 1 318 . 1 1 29 29 LEU HD21 H 1 0.968 . . . . . . A 44 LEU HD21 . 34024 1 319 . 1 1 29 29 LEU HD22 H 1 0.968 . . . . . . A 44 LEU HD22 . 34024 1 320 . 1 1 29 29 LEU HD23 H 1 0.968 . . . . . . A 44 LEU HD23 . 34024 1 321 . 1 1 29 29 LEU C C 13 178.596 . . . . . . A 44 LEU C . 34024 1 322 . 1 1 29 29 LEU CA C 13 57.667 . . . . . . A 44 LEU CA . 34024 1 323 . 1 1 29 29 LEU CB C 13 42.760 . . . . . . A 44 LEU CB . 34024 1 324 . 1 1 29 29 LEU CG C 13 27.379 . . . . . . A 44 LEU CG . 34024 1 325 . 1 1 29 29 LEU CD1 C 13 23.764 . . . . . . A 44 LEU CD1 . 34024 1 326 . 1 1 29 29 LEU CD2 C 13 23.764 . . . . . . A 44 LEU CD2 . 34024 1 327 . 1 1 29 29 LEU N N 15 124.092 . . . . . . A 44 LEU N . 34024 1 328 . 1 1 30 30 VAL H H 1 8.029 . . . . . . A 45 VAL H . 34024 1 329 . 1 1 30 30 VAL HA H 1 3.115 . . . . . . A 45 VAL HA . 34024 1 330 . 1 1 30 30 VAL HB H 1 1.834 . . . . . . A 45 VAL HB . 34024 1 331 . 1 1 30 30 VAL HG11 H 1 -0.005 . . . . . . A 45 VAL HG11 . 34024 1 332 . 1 1 30 30 VAL HG12 H 1 -0.005 . . . . . . A 45 VAL HG12 . 34024 1 333 . 1 1 30 30 VAL HG13 H 1 -0.005 . . . . . . A 45 VAL HG13 . 34024 1 334 . 1 1 30 30 VAL HG21 H 1 0.724 . . . . . . A 45 VAL HG21 . 34024 1 335 . 1 1 30 30 VAL HG22 H 1 0.724 . . . . . . A 45 VAL HG22 . 34024 1 336 . 1 1 30 30 VAL HG23 H 1 0.724 . . . . . . A 45 VAL HG23 . 34024 1 337 . 1 1 30 30 VAL C C 13 175.308 . . . . . . A 45 VAL C . 34024 1 338 . 1 1 30 30 VAL CA C 13 66.548 . . . . . . A 45 VAL CA . 34024 1 339 . 1 1 30 30 VAL CB C 13 31.150 . . . . . . A 45 VAL CB . 34024 1 340 . 1 1 30 30 VAL CG1 C 13 19.869 . . . . . . A 45 VAL CG1 . 34024 1 341 . 1 1 30 30 VAL CG2 C 13 23.239 . . . . . . A 45 VAL CG2 . 34024 1 342 . 1 1 30 30 VAL N N 15 120.120 . . . . . . A 45 VAL N . 34024 1 343 . 1 1 31 31 ALA H H 1 8.018 . . . . . . A 46 ALA H . 34024 1 344 . 1 1 31 31 ALA HA H 1 3.932 . . . . . . A 46 ALA HA . 34024 1 345 . 1 1 31 31 ALA HB1 H 1 1.438 . . . . . . A 46 ALA HB1 . 34024 1 346 . 1 1 31 31 ALA HB2 H 1 1.438 . . . . . . A 46 ALA HB2 . 34024 1 347 . 1 1 31 31 ALA HB3 H 1 1.438 . . . . . . A 46 ALA HB3 . 34024 1 348 . 1 1 31 31 ALA C C 13 181.183 . . . . . . A 46 ALA C . 34024 1 349 . 1 1 31 31 ALA CA C 13 54.909 . . . . . . A 46 ALA CA . 34024 1 350 . 1 1 31 31 ALA CB C 13 17.642 . . . . . . A 46 ALA CB . 34024 1 351 . 1 1 31 31 ALA N N 15 120.325 . . . . . . A 46 ALA N . 34024 1 352 . 1 1 32 32 GLU H H 1 7.865 . . . . . . A 47 GLU H . 34024 1 353 . 1 1 32 32 GLU HA H 1 4.017 . . . . . . A 47 GLU HA . 34024 1 354 . 1 1 32 32 GLU HB2 H 1 2.310 . . . . . . A 47 GLU HB2 . 34024 1 355 . 1 1 32 32 GLU HB3 H 1 2.262 . . . . . . A 47 GLU HB3 . 34024 1 356 . 1 1 32 32 GLU HG2 H 1 2.210 . . . . . . A 47 GLU HG2 . 34024 1 357 . 1 1 32 32 GLU HG3 H 1 2.031 . . . . . . A 47 GLU HG3 . 34024 1 358 . 1 1 32 32 GLU C C 13 178.362 . . . . . . A 47 GLU C . 34024 1 359 . 1 1 32 32 GLU CA C 13 59.451 . . . . . . A 47 GLU CA . 34024 1 360 . 1 1 32 32 GLU CB C 13 29.176 . . . . . . A 47 GLU CB . 34024 1 361 . 1 1 32 32 GLU CG C 13 35.417 . . . . . . A 47 GLU CG . 34024 1 362 . 1 1 32 32 GLU N N 15 120.797 . . . . . . A 47 GLU N . 34024 1 363 . 1 1 33 33 ALA H H 1 8.493 . . . . . . A 48 ALA H . 34024 1 364 . 1 1 33 33 ALA HA H 1 5.116 . . . . . . A 48 ALA HA . 34024 1 365 . 1 1 33 33 ALA HB1 H 1 1.270 . . . . . . A 48 ALA HB1 . 34024 1 366 . 1 1 33 33 ALA HB2 H 1 1.270 . . . . . . A 48 ALA HB2 . 34024 1 367 . 1 1 33 33 ALA HB3 H 1 1.270 . . . . . . A 48 ALA HB3 . 34024 1 368 . 1 1 33 33 ALA C C 13 180.799 . . . . . . A 48 ALA C . 34024 1 369 . 1 1 33 33 ALA CA C 13 54.342 . . . . . . A 48 ALA CA . 34024 1 370 . 1 1 33 33 ALA CB C 13 17.728 . . . . . . A 48 ALA CB . 34024 1 371 . 1 1 33 33 ALA N N 15 123.163 . . . . . . A 48 ALA N . 34024 1 372 . 1 1 34 34 ALA H H 1 8.437 . . . . . . A 49 ALA H . 34024 1 373 . 1 1 34 34 ALA HA H 1 4.147 . . . . . . A 49 ALA HA . 34024 1 374 . 1 1 34 34 ALA HB1 H 1 1.210 . . . . . . A 49 ALA HB1 . 34024 1 375 . 1 1 34 34 ALA HB2 H 1 1.210 . . . . . . A 49 ALA HB2 . 34024 1 376 . 1 1 34 34 ALA HB3 H 1 1.210 . . . . . . A 49 ALA HB3 . 34024 1 377 . 1 1 34 34 ALA C C 13 182.067 . . . . . . A 49 ALA C . 34024 1 378 . 1 1 34 34 ALA CA C 13 54.743 . . . . . . A 49 ALA CA . 34024 1 379 . 1 1 34 34 ALA CB C 13 17.728 . . . . . . A 49 ALA CB . 34024 1 380 . 1 1 34 34 ALA N N 15 122.638 . . . . . . A 49 ALA N . 34024 1 381 . 1 1 35 35 SER H H 1 8.261 . . . . . . A 50 SER H . 34024 1 382 . 1 1 35 35 SER HA H 1 4.210 . . . . . . A 50 SER HA . 34024 1 383 . 1 1 35 35 SER HB2 H 1 4.030 . . . . . . A 50 SER HB2 . 34024 1 384 . 1 1 35 35 SER HB3 H 1 4.030 . . . . . . A 50 SER HB3 . 34024 1 385 . 1 1 35 35 SER C C 13 176.460 . . . . . . A 50 SER C . 34024 1 386 . 1 1 35 35 SER CA C 13 61.551 . . . . . . A 50 SER CA . 34024 1 387 . 1 1 35 35 SER CB C 13 62.790 . . . . . . A 50 SER CB . 34024 1 388 . 1 1 35 35 SER N N 15 117.115 . . . . . . A 50 SER N . 34024 1 389 . 1 1 36 36 ARG H H 1 7.839 . . . . . . A 51 ARG H . 34024 1 390 . 1 1 36 36 ARG HA H 1 4.055 . . . . . . A 51 ARG HA . 34024 1 391 . 1 1 36 36 ARG HB2 H 1 1.200 . . . . . . A 51 ARG HB2 . 34024 1 392 . 1 1 36 36 ARG HB3 H 1 0.961 . . . . . . A 51 ARG HB3 . 34024 1 393 . 1 1 36 36 ARG HG2 H 1 1.363 . . . . . . A 51 ARG HG2 . 34024 1 394 . 1 1 36 36 ARG HG3 H 1 1.739 . . . . . . A 51 ARG HG3 . 34024 1 395 . 1 1 36 36 ARG HD2 H 1 2.764 . . . . . . A 51 ARG HD2 . 34024 1 396 . 1 1 36 36 ARG HD3 H 1 2.941 . . . . . . A 51 ARG HD3 . 34024 1 397 . 1 1 36 36 ARG C C 13 176.393 . . . . . . A 51 ARG C . 34024 1 398 . 1 1 36 36 ARG CA C 13 56.679 . . . . . . A 51 ARG CA . 34024 1 399 . 1 1 36 36 ARG CB C 13 30.444 . . . . . . A 51 ARG CB . 34024 1 400 . 1 1 36 36 ARG CG C 13 27.525 . . . . . . A 51 ARG CG . 34024 1 401 . 1 1 36 36 ARG CD C 13 43.281 . . . . . . A 51 ARG CD . 34024 1 402 . 1 1 36 36 ARG N N 15 118.003 . . . . . . A 51 ARG N . 34024 1 403 . 1 1 37 37 GLY H H 1 7.806 . . . . . . A 52 GLY H . 34024 1 404 . 1 1 37 37 GLY HA2 H 1 4.143 . . . . . . A 52 GLY HA2 . 34024 1 405 . 1 1 37 37 GLY HA3 H 1 4.137 . . . . . . A 52 GLY HA3 . 34024 1 406 . 1 1 37 37 GLY C C 13 175.292 . . . . . . A 52 GLY C . 34024 1 407 . 1 1 37 37 GLY CA C 13 45.464 . . . . . . A 52 GLY CA . 34024 1 408 . 1 1 37 37 GLY N N 15 106.332 . . . . . . A 52 GLY N . 34024 1 409 . 1 1 38 38 HIS H H 1 8.255 . . . . . . A 53 HIS H . 34024 1 410 . 1 1 38 38 HIS HA H 1 4.356 . . . . . . A 53 HIS HA . 34024 1 411 . 1 1 38 38 HIS HB2 H 1 3.070 . . . . . . A 53 HIS HB2 . 34024 1 412 . 1 1 38 38 HIS HB3 H 1 3.070 . . . . . . A 53 HIS HB3 . 34024 1 413 . 1 1 38 38 HIS HD2 H 1 7.197 . . . . . . A 53 HIS HD2 . 34024 1 414 . 1 1 38 38 HIS C C 13 174.491 . . . . . . A 53 HIS C . 34024 1 415 . 1 1 38 38 HIS CA C 13 56.044 . . . . . . A 53 HIS CA . 34024 1 416 . 1 1 38 38 HIS CB C 13 33.656 . . . . . . A 53 HIS CB . 34024 1 417 . 1 1 38 38 HIS CD2 C 13 120.000 . . . . . . A 53 HIS CD2 . 34024 1 418 . 1 1 38 38 HIS N N 15 119.887 . . . . . . A 53 HIS N . 34024 1 419 . 1 1 39 39 ILE H H 1 7.237 . . . . . . A 54 ILE H . 34024 1 420 . 1 1 39 39 ILE HA H 1 5.450 . . . . . . A 54 ILE HA . 34024 1 421 . 1 1 39 39 ILE HB H 1 2.019 . . . . . . A 54 ILE HB . 34024 1 422 . 1 1 39 39 ILE HG12 H 1 1.082 . . . . . . A 54 ILE HG12 . 34024 1 423 . 1 1 39 39 ILE HG13 H 1 0.458 . . . . . . A 54 ILE HG13 . 34024 1 424 . 1 1 39 39 ILE HG21 H 1 0.750 . . . . . . A 54 ILE HG21 . 34024 1 425 . 1 1 39 39 ILE HG22 H 1 0.750 . . . . . . A 54 ILE HG22 . 34024 1 426 . 1 1 39 39 ILE HG23 H 1 0.750 . . . . . . A 54 ILE HG23 . 34024 1 427 . 1 1 39 39 ILE HD11 H 1 0.162 . . . . . . A 54 ILE HD11 . 34024 1 428 . 1 1 39 39 ILE HD12 H 1 0.162 . . . . . . A 54 ILE HD12 . 34024 1 429 . 1 1 39 39 ILE HD13 H 1 0.162 . . . . . . A 54 ILE HD13 . 34024 1 430 . 1 1 39 39 ILE C C 13 174.073 . . . . . . A 54 ILE C . 34024 1 431 . 1 1 39 39 ILE CA C 13 59.451 . . . . . . A 54 ILE CA . 34024 1 432 . 1 1 39 39 ILE CB C 13 42.159 . . . . . . A 54 ILE CB . 34024 1 433 . 1 1 39 39 ILE CG1 C 13 23.395 . . . . . . A 54 ILE CG1 . 34024 1 434 . 1 1 39 39 ILE CG2 C 13 17.725 . . . . . . A 54 ILE CG2 . 34024 1 435 . 1 1 39 39 ILE CD1 C 13 14.662 . . . . . . A 54 ILE CD1 . 34024 1 436 . 1 1 39 39 ILE N N 15 108.548 . . . . . . A 54 ILE N . 34024 1 437 . 1 1 40 40 SER H H 1 9.748 . . . . . . A 55 SER H . 34024 1 438 . 1 1 40 40 SER HA H 1 5.076 . . . . . . A 55 SER HA . 34024 1 439 . 1 1 40 40 SER HB2 H 1 3.961 . . . . . . A 55 SER HB2 . 34024 1 440 . 1 1 40 40 SER HB3 H 1 3.666 . . . . . . A 55 SER HB3 . 34024 1 441 . 1 1 40 40 SER C C 13 172.872 . . . . . . A 55 SER C . 34024 1 442 . 1 1 40 40 SER CA C 13 57.179 . . . . . . A 55 SER CA . 34024 1 443 . 1 1 40 40 SER CB C 13 65.506 . . . . . . A 55 SER CB . 34024 1 444 . 1 1 40 40 SER N N 15 114.951 . . . . . . A 55 SER N . 34024 1 445 . 1 1 41 41 CYS H H 1 8.743 . . . . . . A 56 CYS H . 34024 1 446 . 1 1 41 41 CYS HA H 1 4.890 . . . . . . A 56 CYS HA . 34024 1 447 . 1 1 41 41 CYS HB2 H 1 2.400 . . . . . . A 56 CYS HB2 . 34024 1 448 . 1 1 41 41 CYS HB3 H 1 2.065 . . . . . . A 56 CYS HB3 . 34024 1 449 . 1 1 41 41 CYS C C 13 174.374 . . . . . . A 56 CYS C . 34024 1 450 . 1 1 41 41 CYS CA C 13 57.166 . . . . . . A 56 CYS CA . 34024 1 451 . 1 1 41 41 CYS CB C 13 28.020 . . . . . . A 56 CYS CB . 34024 1 452 . 1 1 41 41 CYS N N 15 121.588 . . . . . . A 56 CYS N . 34024 1 453 . 1 1 42 42 ALA H H 1 8.732 . . . . . . A 57 ALA H . 34024 1 454 . 1 1 42 42 ALA HA H 1 4.507 . . . . . . A 57 ALA HA . 34024 1 455 . 1 1 42 42 ALA HB1 H 1 1.338 . . . . . . A 57 ALA HB1 . 34024 1 456 . 1 1 42 42 ALA HB2 H 1 1.338 . . . . . . A 57 ALA HB2 . 34024 1 457 . 1 1 42 42 ALA HB3 H 1 1.338 . . . . . . A 57 ALA HB3 . 34024 1 458 . 1 1 42 42 ALA C C 13 177.812 . . . . . . A 57 ALA C . 34024 1 459 . 1 1 42 42 ALA CA C 13 52.083 . . . . . . A 57 ALA CA . 34024 1 460 . 1 1 42 42 ALA CB C 13 20.000 . . . . . . A 57 ALA CB . 34024 1 461 . 1 1 42 42 ALA N N 15 129.254 . . . . . . A 57 ALA N . 34024 1 462 . 1 1 43 43 THR H H 1 8.365 . . . . . . A 58 THR H . 34024 1 463 . 1 1 43 43 THR HA H 1 4.449 . . . . . . A 58 THR HA . 34024 1 464 . 1 1 43 43 THR HB H 1 4.297 . . . . . . A 58 THR HB . 34024 1 465 . 1 1 43 43 THR HG21 H 1 1.196 . . . . . . A 58 THR HG21 . 34024 1 466 . 1 1 43 43 THR HG22 H 1 1.196 . . . . . . A 58 THR HG22 . 34024 1 467 . 1 1 43 43 THR HG23 H 1 1.196 . . . . . . A 58 THR HG23 . 34024 1 468 . 1 1 43 43 THR C C 13 175.075 . . . . . . A 58 THR C . 34024 1 469 . 1 1 43 43 THR CA C 13 61.660 . . . . . . A 58 THR CA . 34024 1 470 . 1 1 43 43 THR CB C 13 69.800 . . . . . . A 58 THR CB . 34024 1 471 . 1 1 43 43 THR CG2 C 13 21.647 . . . . . . A 58 THR CG2 . 34024 1 472 . 1 1 43 43 THR N N 15 113.782 . . . . . . A 58 THR N . 34024 1 473 . 1 1 44 44 THR H H 1 8.168 . . . . . . A 59 THR H . 34024 1 474 . 1 1 44 44 THR HA H 1 4.377 . . . . . . A 59 THR HA . 34024 1 475 . 1 1 44 44 THR HB H 1 4.266 . . . . . . A 59 THR HB . 34024 1 476 . 1 1 44 44 THR HG21 H 1 1.180 . . . . . . A 59 THR HG21 . 34024 1 477 . 1 1 44 44 THR HG22 H 1 1.180 . . . . . . A 59 THR HG22 . 34024 1 478 . 1 1 44 44 THR HG23 H 1 1.180 . . . . . . A 59 THR HG23 . 34024 1 479 . 1 1 44 44 THR C C 13 174.808 . . . . . . A 59 THR C . 34024 1 480 . 1 1 44 44 THR CA C 13 61.670 . . . . . . A 59 THR CA . 34024 1 481 . 1 1 44 44 THR CB C 13 69.900 . . . . . . A 59 THR CB . 34024 1 482 . 1 1 44 44 THR CG2 C 13 21.643 . . . . . . A 59 THR CG2 . 34024 1 483 . 1 1 44 44 THR N N 15 115.436 . . . . . . A 59 THR N . 34024 1 484 . 1 1 45 45 SER H H 1 8.342 . . . . . . A 60 SER H . 34024 1 485 . 1 1 45 45 SER HA H 1 4.388 . . . . . . A 60 SER HA . 34024 1 486 . 1 1 45 45 SER HB2 H 1 3.876 . . . . . . A 60 SER HB2 . 34024 1 487 . 1 1 45 45 SER HB3 H 1 3.876 . . . . . . A 60 SER HB3 . 34024 1 488 . 1 1 45 45 SER C C 13 175.125 . . . . . . A 60 SER C . 34024 1 489 . 1 1 45 45 SER CA C 13 58.789 . . . . . . A 60 SER CA . 34024 1 490 . 1 1 45 45 SER CB C 13 63.811 . . . . . . A 60 SER CB . 34024 1 491 . 1 1 45 45 SER N N 15 117.261 . . . . . . A 60 SER N . 34024 1 492 . 1 1 46 46 GLY H H 1 8.391 . . . . . . A 61 GLY H . 34024 1 493 . 1 1 46 46 GLY HA2 H 1 4.031 . . . . . . A 61 GLY HA2 . 34024 1 494 . 1 1 46 46 GLY HA3 H 1 3.897 . . . . . . A 61 GLY HA3 . 34024 1 495 . 1 1 46 46 GLY C C 13 174.407 . . . . . . A 61 GLY C . 34024 1 496 . 1 1 46 46 GLY CA C 13 45.397 . . . . . . A 61 GLY CA . 34024 1 497 . 1 1 46 46 GLY N N 15 110.760 . . . . . . A 61 GLY N . 34024 1 498 . 1 1 47 47 ARG H H 1 8.115 . . . . . . A 62 ARG H . 34024 1 499 . 1 1 47 47 ARG HA H 1 4.335 . . . . . . A 62 ARG HA . 34024 1 500 . 1 1 47 47 ARG HB2 H 1 1.877 . . . . . . A 62 ARG HB2 . 34024 1 501 . 1 1 47 47 ARG HB3 H 1 1.835 . . . . . . A 62 ARG HB3 . 34024 1 502 . 1 1 47 47 ARG HG2 H 1 1.617 . . . . . . A 62 ARG HG2 . 34024 1 503 . 1 1 47 47 ARG HG3 H 1 1.668 . . . . . . A 62 ARG HG3 . 34024 1 504 . 1 1 47 47 ARG HD2 H 1 3.250 . . . . . . A 62 ARG HD2 . 34024 1 505 . 1 1 47 47 ARG HD3 H 1 3.248 . . . . . . A 62 ARG HD3 . 34024 1 506 . 1 1 47 47 ARG C C 13 176.326 . . . . . . A 62 ARG C . 34024 1 507 . 1 1 47 47 ARG CA C 13 56.281 . . . . . . A 62 ARG CA . 34024 1 508 . 1 1 47 47 ARG CB C 13 30.664 . . . . . . A 62 ARG CB . 34024 1 509 . 1 1 47 47 ARG CG C 13 27.179 . . . . . . A 62 ARG CG . 34024 1 510 . 1 1 47 47 ARG CD C 13 43.434 . . . . . . A 62 ARG CD . 34024 1 511 . 1 1 47 47 ARG N N 15 120.160 . . . . . . A 62 ARG N . 34024 1 512 . 1 1 48 48 ASN H H 1 8.458 . . . . . . A 63 ASN H . 34024 1 513 . 1 1 48 48 ASN HA H 1 4.723 . . . . . . A 63 ASN HA . 34024 1 514 . 1 1 48 48 ASN HB2 H 1 2.867 . . . . . . A 63 ASN HB2 . 34024 1 515 . 1 1 48 48 ASN HB3 H 1 2.778 . . . . . . A 63 ASN HB3 . 34024 1 516 . 1 1 48 48 ASN C C 13 175.509 . . . . . . A 63 ASN C . 34024 1 517 . 1 1 48 48 ASN CA C 13 54.042 . . . . . . A 63 ASN CA . 34024 1 518 . 1 1 48 48 ASN CB C 13 38.910 . . . . . . A 63 ASN CB . 34024 1 519 . 1 1 48 48 ASN N N 15 118.548 . . . . . . A 63 ASN N . 34024 1 520 . 1 1 49 49 GLY H H 1 8.132 . . . . . . A 64 GLY H . 34024 1 521 . 1 1 49 49 GLY HA2 H 1 3.917 . . . . . . A 64 GLY HA2 . 34024 1 522 . 1 1 49 49 GLY HA3 H 1 3.917 . . . . . . A 64 GLY HA3 . 34024 1 523 . 1 1 49 49 GLY C C 13 174.023 . . . . . . A 64 GLY C . 34024 1 524 . 1 1 49 49 GLY CA C 13 45.430 . . . . . . A 64 GLY CA . 34024 1 525 . 1 1 49 49 GLY N N 15 108.878 . . . . . . A 64 GLY N . 34024 1 526 . 1 1 50 50 GLY H H 1 7.877 . . . . . . A 65 GLY H . 34024 1 527 . 1 1 50 50 GLY HA2 H 1 3.561 . . . . . . A 65 GLY HA2 . 34024 1 528 . 1 1 50 50 GLY HA3 H 1 3.324 . . . . . . A 65 GLY HA3 . 34024 1 529 . 1 1 50 50 GLY C C 13 172.204 . . . . . . A 65 GLY C . 34024 1 530 . 1 1 50 50 GLY CA C 13 44.900 . . . . . . A 65 GLY CA . 34024 1 531 . 1 1 50 50 GLY N N 15 108.350 . . . . . . A 65 GLY N . 34024 1 532 . 1 1 51 51 ALA H H 1 7.461 . . . . . . A 66 ALA H . 34024 1 533 . 1 1 51 51 ALA HA H 1 4.354 . . . . . . A 66 ALA HA . 34024 1 534 . 1 1 51 51 ALA HB1 H 1 1.000 . . . . . . A 66 ALA HB1 . 34024 1 535 . 1 1 51 51 ALA HB2 H 1 1.000 . . . . . . A 66 ALA HB2 . 34024 1 536 . 1 1 51 51 ALA HB3 H 1 1.000 . . . . . . A 66 ALA HB3 . 34024 1 537 . 1 1 51 51 ALA C C 13 175.308 . . . . . . A 66 ALA C . 34024 1 538 . 1 1 51 51 ALA CA C 13 50.787 . . . . . . A 66 ALA CA . 34024 1 539 . 1 1 51 51 ALA CB C 13 21.892 . . . . . . A 66 ALA CB . 34024 1 540 . 1 1 51 51 ALA N N 15 121.531 . . . . . . A 66 ALA N . 34024 1 541 . 1 1 52 52 TRP H H 1 8.786 . . . . . . A 67 TRP H . 34024 1 542 . 1 1 52 52 TRP HA H 1 5.016 . . . . . . A 67 TRP HA . 34024 1 543 . 1 1 52 52 TRP HB2 H 1 3.060 . . . . . . A 67 TRP HB2 . 34024 1 544 . 1 1 52 52 TRP HB3 H 1 3.060 . . . . . . A 67 TRP HB3 . 34024 1 545 . 1 1 52 52 TRP HD1 H 1 7.091 . . . . . . A 67 TRP HD1 . 34024 1 546 . 1 1 52 52 TRP HE1 H 1 10.080 . . . . . . A 67 TRP HE1 . 34024 1 547 . 1 1 52 52 TRP HE3 H 1 7.205 . . . . . . A 67 TRP HE3 . 34024 1 548 . 1 1 52 52 TRP HZ2 H 1 7.216 . . . . . . A 67 TRP HZ2 . 34024 1 549 . 1 1 52 52 TRP HH2 H 1 6.990 . . . . . . A 67 TRP HH2 . 34024 1 550 . 1 1 52 52 TRP C C 13 174.824 . . . . . . A 67 TRP C . 34024 1 551 . 1 1 52 52 TRP CA C 13 56.344 . . . . . . A 67 TRP CA . 34024 1 552 . 1 1 52 52 TRP CB C 13 32.121 . . . . . . A 67 TRP CB . 34024 1 553 . 1 1 52 52 TRP CD1 C 13 125.600 . . . . . . A 67 TRP CD1 . 34024 1 554 . 1 1 52 52 TRP CD2 C 13 120.000 . . . . . . A 67 TRP CD2 . 34024 1 555 . 1 1 52 52 TRP CE3 C 13 120.000 . . . . . . A 67 TRP CE3 . 34024 1 556 . 1 1 52 52 TRP CZ2 C 13 114.500 . . . . . . A 67 TRP CZ2 . 34024 1 557 . 1 1 52 52 TRP CH2 C 13 124.800 . . . . . . A 67 TRP CH2 . 34024 1 558 . 1 1 52 52 TRP N N 15 121.254 . . . . . . A 67 TRP N . 34024 1 559 . 1 1 52 52 TRP NE1 N 15 129.250 . . . . . . A 67 TRP NE1 . 34024 1 560 . 1 1 53 53 GLU H H 1 9.038 . . . . . . A 68 GLU H . 34024 1 561 . 1 1 53 53 GLU HA H 1 5.016 . . . . . . A 68 GLU HA . 34024 1 562 . 1 1 53 53 GLU HB2 H 1 2.000 . . . . . . A 68 GLU HB2 . 34024 1 563 . 1 1 53 53 GLU HB3 H 1 2.000 . . . . . . A 68 GLU HB3 . 34024 1 564 . 1 1 53 53 GLU HG2 H 1 2.286 . . . . . . A 68 GLU HG2 . 34024 1 565 . 1 1 53 53 GLU HG3 H 1 2.194 . . . . . . A 68 GLU HG3 . 34024 1 566 . 1 1 53 53 GLU C C 13 175.609 . . . . . . A 68 GLU C . 34024 1 567 . 1 1 53 53 GLU CA C 13 53.474 . . . . . . A 68 GLU CA . 34024 1 568 . 1 1 53 53 GLU CB C 13 34.091 . . . . . . A 68 GLU CB . 34024 1 569 . 1 1 53 53 GLU CG C 13 35.797 . . . . . . A 68 GLU CG . 34024 1 570 . 1 1 53 53 GLU N N 15 118.683 . . . . . . A 68 GLU N . 34024 1 571 . 1 1 54 54 ILE H H 1 9.341 . . . . . . A 69 ILE H . 34024 1 572 . 1 1 54 54 ILE HA H 1 4.766 . . . . . . A 69 ILE HA . 34024 1 573 . 1 1 54 54 ILE HB H 1 1.478 . . . . . . A 69 ILE HB . 34024 1 574 . 1 1 54 54 ILE HG12 H 1 1.667 . . . . . . A 69 ILE HG12 . 34024 1 575 . 1 1 54 54 ILE HG13 H 1 2.123 . . . . . . A 69 ILE HG13 . 34024 1 576 . 1 1 54 54 ILE HG21 H 1 0.907 . . . . . . A 69 ILE HG21 . 34024 1 577 . 1 1 54 54 ILE HG22 H 1 0.907 . . . . . . A 69 ILE HG22 . 34024 1 578 . 1 1 54 54 ILE HG23 H 1 0.907 . . . . . . A 69 ILE HG23 . 34024 1 579 . 1 1 54 54 ILE HD11 H 1 0.932 . . . . . . A 69 ILE HD11 . 34024 1 580 . 1 1 54 54 ILE HD12 H 1 0.932 . . . . . . A 69 ILE HD12 . 34024 1 581 . 1 1 54 54 ILE HD13 H 1 0.932 . . . . . . A 69 ILE HD13 . 34024 1 582 . 1 1 54 54 ILE C C 13 174.925 . . . . . . A 69 ILE C . 34024 1 583 . 1 1 54 54 ILE CA C 13 60.798 . . . . . . A 69 ILE CA . 34024 1 584 . 1 1 54 54 ILE CB C 13 41.039 . . . . . . A 69 ILE CB . 34024 1 585 . 1 1 54 54 ILE CG1 C 13 29.800 . . . . . . A 69 ILE CG1 . 34024 1 586 . 1 1 54 54 ILE CG2 C 13 17.979 . . . . . . A 69 ILE CG2 . 34024 1 587 . 1 1 54 54 ILE CD1 C 13 15.423 . . . . . . A 69 ILE CD1 . 34024 1 588 . 1 1 54 54 ILE N N 15 124.261 . . . . . . A 69 ILE N . 34024 1 589 . 1 1 55 55 THR H H 1 7.774 . . . . . . A 70 THR H . 34024 1 590 . 1 1 55 55 THR HA H 1 4.836 . . . . . . A 70 THR HA . 34024 1 591 . 1 1 55 55 THR HB H 1 4.910 . . . . . . A 70 THR HB . 34024 1 592 . 1 1 55 55 THR HG21 H 1 1.120 . . . . . . A 70 THR HG21 . 34024 1 593 . 1 1 55 55 THR HG22 H 1 1.120 . . . . . . A 70 THR HG22 . 34024 1 594 . 1 1 55 55 THR HG23 H 1 1.120 . . . . . . A 70 THR HG23 . 34024 1 595 . 1 1 55 55 THR C C 13 176.160 . . . . . . A 70 THR C . 34024 1 596 . 1 1 55 55 THR CA C 13 59.885 . . . . . . A 70 THR CA . 34024 1 597 . 1 1 55 55 THR CB C 13 72.131 . . . . . . A 70 THR CB . 34024 1 598 . 1 1 55 55 THR CG2 C 13 21.905 . . . . . . A 70 THR CG2 . 34024 1 599 . 1 1 55 55 THR N N 15 116.262 . . . . . . A 70 THR N . 34024 1 600 . 1 1 56 56 ALA H H 1 9.175 . . . . . . A 71 ALA H . 34024 1 601 . 1 1 56 56 ALA HA H 1 4.297 . . . . . . A 71 ALA HA . 34024 1 602 . 1 1 56 56 ALA HB1 H 1 1.578 . . . . . . A 71 ALA HB1 . 34024 1 603 . 1 1 56 56 ALA HB2 H 1 1.578 . . . . . . A 71 ALA HB2 . 34024 1 604 . 1 1 56 56 ALA HB3 H 1 1.578 . . . . . . A 71 ALA HB3 . 34024 1 605 . 1 1 56 56 ALA C C 13 180.982 . . . . . . A 71 ALA C . 34024 1 606 . 1 1 56 56 ALA CA C 13 55.744 . . . . . . A 71 ALA CA . 34024 1 607 . 1 1 56 56 ALA CB C 13 17.898 . . . . . . A 71 ALA CB . 34024 1 608 . 1 1 56 56 ALA N N 15 124.659 . . . . . . A 71 ALA N . 34024 1 609 . 1 1 57 57 SER H H 1 8.681 . . . . . . A 72 SER H . 34024 1 610 . 1 1 57 57 SER HA H 1 4.300 . . . . . . A 72 SER HA . 34024 1 611 . 1 1 57 57 SER HB2 H 1 4.030 . . . . . . A 72 SER HB2 . 34024 1 612 . 1 1 57 57 SER HB3 H 1 4.117 . . . . . . A 72 SER HB3 . 34024 1 613 . 1 1 57 57 SER C C 13 180.966 . . . . . . A 72 SER C . 34024 1 614 . 1 1 57 57 SER CA C 13 61.063 . . . . . . A 72 SER CA . 34024 1 615 . 1 1 57 57 SER CB C 13 62.500 . . . . . . A 72 SER CB . 34024 1 616 . 1 1 57 57 SER N N 15 113.888 . . . . . . A 72 SER N . 34024 1 617 . 1 1 58 58 GLY H H 1 8.600 . . . . . . A 73 GLY H . 34024 1 618 . 1 1 58 58 GLY HA2 H 1 4.403 . . . . . . A 73 GLY HA2 . 34024 1 619 . 1 1 58 58 GLY HA3 H 1 3.430 . . . . . . A 73 GLY HA3 . 34024 1 620 . 1 1 58 58 GLY C C 13 175.125 . . . . . . A 73 GLY C . 34024 1 621 . 1 1 58 58 GLY CA C 13 47.033 . . . . . . A 73 GLY CA . 34024 1 622 . 1 1 58 58 GLY N N 15 113.658 . . . . . . A 73 GLY N . 34024 1 623 . 1 1 59 59 THR H H 1 8.731 . . . . . . A 74 THR H . 34024 1 624 . 1 1 59 59 THR HA H 1 3.789 . . . . . . A 74 THR HA . 34024 1 625 . 1 1 59 59 THR HB H 1 4.373 . . . . . . A 74 THR HB . 34024 1 626 . 1 1 59 59 THR HG21 H 1 1.226 . . . . . . A 74 THR HG21 . 34024 1 627 . 1 1 59 59 THR HG22 H 1 1.226 . . . . . . A 74 THR HG22 . 34024 1 628 . 1 1 59 59 THR HG23 H 1 1.226 . . . . . . A 74 THR HG23 . 34024 1 629 . 1 1 59 59 THR C C 13 175.108 . . . . . . A 74 THR C . 34024 1 630 . 1 1 59 59 THR CA C 13 67.391 . . . . . . A 74 THR CA . 34024 1 631 . 1 1 59 59 THR CB C 13 68.533 . . . . . . A 74 THR CB . 34024 1 632 . 1 1 59 59 THR CG2 C 13 22.261 . . . . . . A 74 THR CG2 . 34024 1 633 . 1 1 59 59 THR N N 15 120.067 . . . . . . A 74 THR N . 34024 1 634 . 1 1 60 60 ARG H H 1 8.081 . . . . . . A 75 ARG H . 34024 1 635 . 1 1 60 60 ARG HA H 1 4.057 . . . . . . A 75 ARG HA . 34024 1 636 . 1 1 60 60 ARG HB2 H 1 2.018 . . . . . . A 75 ARG HB2 . 34024 1 637 . 1 1 60 60 ARG HB3 H 1 1.939 . . . . . . A 75 ARG HB3 . 34024 1 638 . 1 1 60 60 ARG HG2 H 1 1.652 . . . . . . A 75 ARG HG2 . 34024 1 639 . 1 1 60 60 ARG HG3 H 1 1.652 . . . . . . A 75 ARG HG3 . 34024 1 640 . 1 1 60 60 ARG HD2 H 1 3.357 . . . . . . A 75 ARG HD2 . 34024 1 641 . 1 1 60 60 ARG HD3 H 1 3.357 . . . . . . A 75 ARG HD3 . 34024 1 642 . 1 1 60 60 ARG C C 13 178.346 . . . . . . A 75 ARG C . 34024 1 643 . 1 1 60 60 ARG CA C 13 59.794 . . . . . . A 75 ARG CA . 34024 1 644 . 1 1 60 60 ARG CB C 13 30.511 . . . . . . A 75 ARG CB . 34024 1 645 . 1 1 60 60 ARG CG C 13 28.113 . . . . . . A 75 ARG CG . 34024 1 646 . 1 1 60 60 ARG CD C 13 43.725 . . . . . . A 75 ARG CD . 34024 1 647 . 1 1 60 60 ARG N N 15 122.035 . . . . . . A 75 ARG N . 34024 1 648 . 1 1 61 61 PHE H H 1 8.232 . . . . . . A 76 PHE H . 34024 1 649 . 1 1 61 61 PHE HA H 1 4.107 . . . . . . A 76 PHE HA . 34024 1 650 . 1 1 61 61 PHE HB2 H 1 2.944 . . . . . . A 76 PHE HB2 . 34024 1 651 . 1 1 61 61 PHE HB3 H 1 2.638 . . . . . . A 76 PHE HB3 . 34024 1 652 . 1 1 61 61 PHE HD1 H 1 7.075 . . . . . . A 76 PHE HD1 . 34024 1 653 . 1 1 61 61 PHE HD2 H 1 7.075 . . . . . . A 76 PHE HD2 . 34024 1 654 . 1 1 61 61 PHE HE1 H 1 7.466 . . . . . . A 76 PHE HE1 . 34024 1 655 . 1 1 61 61 PHE HE2 H 1 7.466 . . . . . . A 76 PHE HE2 . 34024 1 656 . 1 1 61 61 PHE HZ H 1 6.500 . . . . . . A 76 PHE HZ . 34024 1 657 . 1 1 61 61 PHE C C 13 176.910 . . . . . . A 76 PHE C . 34024 1 658 . 1 1 61 61 PHE CA C 13 62.533 . . . . . . A 76 PHE CA . 34024 1 659 . 1 1 61 61 PHE CB C 13 39.189 . . . . . . A 76 PHE CB . 34024 1 660 . 1 1 61 61 PHE CD1 C 13 132.100 . . . . . . A 76 PHE CD1 . 34024 1 661 . 1 1 61 61 PHE CD2 C 13 132.100 . . . . . . A 76 PHE CD2 . 34024 1 662 . 1 1 61 61 PHE CE1 C 13 131.750 . . . . . . A 76 PHE CE1 . 34024 1 663 . 1 1 61 61 PHE CE2 C 13 131.750 . . . . . . A 76 PHE CE2 . 34024 1 664 . 1 1 61 61 PHE N N 15 122.191 . . . . . . A 76 PHE N . 34024 1 665 . 1 1 62 62 LEU H H 1 8.217 . . . . . . A 77 LEU H . 34024 1 666 . 1 1 62 62 LEU HA H 1 3.787 . . . . . . A 77 LEU HA . 34024 1 667 . 1 1 62 62 LEU HB2 H 1 1.808 . . . . . . A 77 LEU HB2 . 34024 1 668 . 1 1 62 62 LEU HB3 H 1 1.707 . . . . . . A 77 LEU HB3 . 34024 1 669 . 1 1 62 62 LEU HG H 1 1.651 . . . . . . A 77 LEU HG . 34024 1 670 . 1 1 62 62 LEU HD11 H 1 0.877 . . . . . . A 77 LEU HD11 . 34024 1 671 . 1 1 62 62 LEU HD12 H 1 0.877 . . . . . . A 77 LEU HD12 . 34024 1 672 . 1 1 62 62 LEU HD13 H 1 0.877 . . . . . . A 77 LEU HD13 . 34024 1 673 . 1 1 62 62 LEU HD21 H 1 0.877 . . . . . . A 77 LEU HD21 . 34024 1 674 . 1 1 62 62 LEU HD22 H 1 0.877 . . . . . . A 77 LEU HD22 . 34024 1 675 . 1 1 62 62 LEU HD23 H 1 0.877 . . . . . . A 77 LEU HD23 . 34024 1 676 . 1 1 62 62 LEU C C 13 179.364 . . . . . . A 77 LEU C . 34024 1 677 . 1 1 62 62 LEU CA C 13 58.333 . . . . . . A 77 LEU CA . 34024 1 678 . 1 1 62 62 LEU CB C 13 42.727 . . . . . . A 77 LEU CB . 34024 1 679 . 1 1 62 62 LEU CG C 13 26.844 . . . . . . A 77 LEU CG . 34024 1 680 . 1 1 62 62 LEU CD1 C 13 25.020 . . . . . . A 77 LEU CD1 . 34024 1 681 . 1 1 62 62 LEU CD2 C 13 25.009 . . . . . . A 77 LEU CD2 . 34024 1 682 . 1 1 62 62 LEU N N 15 118.621 . . . . . . A 77 LEU N . 34024 1 683 . 1 1 63 63 LYS H H 1 7.898 . . . . . . A 78 LYS H . 34024 1 684 . 1 1 63 63 LYS HA H 1 4.037 . . . . . . A 78 LYS HA . 34024 1 685 . 1 1 63 63 LYS HB2 H 1 1.928 . . . . . . A 78 LYS HB2 . 34024 1 686 . 1 1 63 63 LYS HB3 H 1 1.928 . . . . . . A 78 LYS HB3 . 34024 1 687 . 1 1 63 63 LYS HG2 H 1 1.513 . . . . . . A 78 LYS HG2 . 34024 1 688 . 1 1 63 63 LYS HG3 H 1 1.513 . . . . . . A 78 LYS HG3 . 34024 1 689 . 1 1 63 63 LYS HD2 H 1 1.684 . . . . . . A 78 LYS HD2 . 34024 1 690 . 1 1 63 63 LYS HD3 H 1 1.684 . . . . . . A 78 LYS HD3 . 34024 1 691 . 1 1 63 63 LYS HE2 H 1 3.000 . . . . . . A 78 LYS HE2 . 34024 1 692 . 1 1 63 63 LYS HE3 H 1 3.000 . . . . . . A 78 LYS HE3 . 34024 1 693 . 1 1 63 63 LYS C C 13 179.447 . . . . . . A 78 LYS C . 34024 1 694 . 1 1 63 63 LYS CA C 13 59.520 . . . . . . A 78 LYS CA . 34024 1 695 . 1 1 63 63 LYS CB C 13 32.580 . . . . . . A 78 LYS CB . 34024 1 696 . 1 1 63 63 LYS CG C 13 25.374 . . . . . . A 78 LYS CG . 34024 1 697 . 1 1 63 63 LYS CD C 13 29.391 . . . . . . A 78 LYS CD . 34024 1 698 . 1 1 63 63 LYS CE C 13 42.264 . . . . . . A 78 LYS CE . 34024 1 699 . 1 1 63 63 LYS N N 15 118.432 . . . . . . A 78 LYS N . 34024 1 700 . 1 1 64 64 ARG H H 1 8.200 . . . . . . A 79 ARG H . 34024 1 701 . 1 1 64 64 ARG HA H 1 4.099 . . . . . . A 79 ARG HA . 34024 1 702 . 1 1 64 64 ARG HB2 H 1 1.898 . . . . . . A 79 ARG HB2 . 34024 1 703 . 1 1 64 64 ARG HB3 H 1 1.786 . . . . . . A 79 ARG HB3 . 34024 1 704 . 1 1 64 64 ARG HG2 H 1 1.667 . . . . . . A 79 ARG HG2 . 34024 1 705 . 1 1 64 64 ARG HG3 H 1 1.682 . . . . . . A 79 ARG HG3 . 34024 1 706 . 1 1 64 64 ARG HD2 H 1 3.202 . . . . . . A 79 ARG HD2 . 34024 1 707 . 1 1 64 64 ARG HD3 H 1 3.202 . . . . . . A 79 ARG HD3 . 34024 1 708 . 1 1 64 64 ARG C C 13 178.279 . . . . . . A 79 ARG C . 34024 1 709 . 1 1 64 64 ARG CA C 13 58.789 . . . . . . A 79 ARG CA . 34024 1 710 . 1 1 64 64 ARG CB C 13 30.377 . . . . . . A 79 ARG CB . 34024 1 711 . 1 1 64 64 ARG CG C 13 27.474 . . . . . . A 79 ARG CG . 34024 1 712 . 1 1 64 64 ARG CD C 13 43.908 . . . . . . A 79 ARG CD . 34024 1 713 . 1 1 64 64 ARG N N 15 119.687 . . . . . . A 79 ARG N . 34024 1 714 . 1 1 65 65 MET H H 1 7.937 . . . . . . A 80 MET H . 34024 1 715 . 1 1 65 65 MET HA H 1 4.500 . . . . . . A 80 MET HA . 34024 1 716 . 1 1 65 65 MET HB2 H 1 1.822 . . . . . . A 80 MET HB2 . 34024 1 717 . 1 1 65 65 MET HB3 H 1 1.822 . . . . . . A 80 MET HB3 . 34024 1 718 . 1 1 65 65 MET HG2 H 1 1.972 . . . . . . A 80 MET HG2 . 34024 1 719 . 1 1 65 65 MET HG3 H 1 1.657 . . . . . . A 80 MET HG3 . 34024 1 720 . 1 1 65 65 MET C C 13 177.344 . . . . . . A 80 MET C . 34024 1 721 . 1 1 65 65 MET CA C 13 54.142 . . . . . . A 80 MET CA . 34024 1 722 . 1 1 65 65 MET CB C 13 31.491 . . . . . . A 80 MET CB . 34024 1 723 . 1 1 65 65 MET CG C 13 31.400 . . . . . . A 80 MET CG . 34024 1 724 . 1 1 65 65 MET N N 15 115.007 . . . . . . A 80 MET N . 34024 1 725 . 1 1 66 66 GLY H H 1 7.760 . . . . . . A 81 GLY H . 34024 1 726 . 1 1 66 66 GLY HA2 H 1 3.993 . . . . . . A 81 GLY HA2 . 34024 1 727 . 1 1 66 66 GLY HA3 H 1 3.877 . . . . . . A 81 GLY HA3 . 34024 1 728 . 1 1 66 66 GLY C C 13 174.941 . . . . . . A 81 GLY C . 34024 1 729 . 1 1 66 66 GLY CA C 13 46.038 . . . . . . A 81 GLY CA . 34024 1 730 . 1 1 66 66 GLY N N 15 106.986 . . . . . . A 81 GLY N . 34024 1 731 . 1 1 67 67 GLY H H 1 8.249 . . . . . . A 82 GLY H . 34024 1 732 . 1 1 67 67 GLY HA2 H 1 4.101 . . . . . . A 82 GLY HA2 . 34024 1 733 . 1 1 67 67 GLY HA3 H 1 3.810 . . . . . . A 82 GLY HA3 . 34024 1 734 . 1 1 67 67 GLY C C 13 173.857 . . . . . . A 82 GLY C . 34024 1 735 . 1 1 67 67 GLY CA C 13 45.297 . . . . . . A 82 GLY CA . 34024 1 736 . 1 1 67 67 GLY N N 15 107.660 . . . . . . A 82 GLY N . 34024 1 737 . 1 1 68 68 CYS H H 1 8.102 . . . . . . A 83 CYS H . 34024 1 738 . 1 1 68 68 CYS HA H 1 4.571 . . . . . . A 83 CYS HA . 34024 1 739 . 1 1 68 68 CYS HB2 H 1 2.953 . . . . . . A 83 CYS HB2 . 34024 1 740 . 1 1 68 68 CYS HB3 H 1 2.902 . . . . . . A 83 CYS HB3 . 34024 1 741 . 1 1 68 68 CYS C C 13 173.506 . . . . . . A 83 CYS C . 34024 1 742 . 1 1 68 68 CYS CA C 13 58.789 . . . . . . A 83 CYS CA . 34024 1 743 . 1 1 68 68 CYS CB C 13 28.274 . . . . . . A 83 CYS CB . 34024 1 744 . 1 1 68 68 CYS N N 15 118.136 . . . . . . A 83 CYS N . 34024 1 745 . 1 1 69 69 VAL H H 1 7.659 . . . . . . A 84 VAL H . 34024 1 746 . 1 1 69 69 VAL HA H 1 4.049 . . . . . . A 84 VAL HA . 34024 1 747 . 1 1 69 69 VAL HB H 1 2.108 . . . . . . A 84 VAL HB . 34024 1 748 . 1 1 69 69 VAL HG11 H 1 0.870 . . . . . . A 84 VAL HG11 . 34024 1 749 . 1 1 69 69 VAL HG12 H 1 0.870 . . . . . . A 84 VAL HG12 . 34024 1 750 . 1 1 69 69 VAL HG13 H 1 0.870 . . . . . . A 84 VAL HG13 . 34024 1 751 . 1 1 69 69 VAL HG21 H 1 0.870 . . . . . . A 84 VAL HG21 . 34024 1 752 . 1 1 69 69 VAL HG22 H 1 0.870 . . . . . . A 84 VAL HG22 . 34024 1 753 . 1 1 69 69 VAL HG23 H 1 0.870 . . . . . . A 84 VAL HG23 . 34024 1 754 . 1 1 69 69 VAL C C 13 180.766 . . . . . . A 84 VAL C . 34024 1 755 . 1 1 69 69 VAL CA C 13 63.731 . . . . . . A 84 VAL CA . 34024 1 756 . 1 1 69 69 VAL CB C 13 33.114 . . . . . . A 84 VAL CB . 34024 1 757 . 1 1 69 69 VAL CG1 C 13 20.150 . . . . . . A 84 VAL CG1 . 34024 1 758 . 1 1 69 69 VAL CG2 C 13 20.150 . . . . . . A 84 VAL CG2 . 34024 1 759 . 1 1 69 69 VAL N N 15 124.718 . . . . . . A 84 VAL N . 34024 1 stop_ save_