data_25856 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25856 _Entry.Title ; Solution structure of translation initiation factor from Staphylococcus aureus Mu50 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-10-21 _Entry.Accession_date 2015-10-21 _Entry.Last_release_date 2016-10-20 _Entry.Original_release_date 2016-10-20 _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 Do-Hee Kim . . . . 25856 2 Ki-Young Lee . . . . 25856 3 Bong-Jin Lee . . . . 25856 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' . 25856 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID protein . 25856 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25856 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 269 25856 '15N chemical shifts' 65 25856 '1H chemical shifts' 378 25856 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 . . 2017-02-21 2015-10-21 update BMRB 'update entry citation' 25856 1 . . 2016-10-20 2015-10-21 original author 'original release' 25856 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N8N 'BMRB Entry Tracking System' 25856 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25856 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27784646 _Citation.Full_citation . _Citation.Title ; Structure and dynamics study of translation initiation factor 1 from Staphylococcus aureus suggests its RNA binding mode. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta' _Citation.Journal_name_full 'Biochimica et biophysica acta' _Citation.Journal_volume 1865 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0006-3002 _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 65 _Citation.Page_last 75 _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 Do-Hee Kim . . . . 25856 1 2 Su-Jin Kang . . . . 25856 1 3 Ki-Young Lee . . . . 25856 1 4 Sun-Bok Jang . . . . 25856 1 5 Sung-Min Kang . . . . 25856 1 6 Bong-Jin Lee . . . . 25856 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25856 _Assembly.ID 1 _Assembly.Name 'translation initiation factor from Staphylococcus aureus Mu50' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 Translation_factor 1 $Translation_factor A . yes native no no . . . 25856 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Translation_factor _Entity.Sf_category entity _Entity.Sf_framecode Translation_factor _Entity.Entry_ID 25856 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Translation_factor _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 ; MAKQDVIELEGTVLDTLPNA MFKVELENGHEILAHVSGKI RMNYIRILPGDKVTVEMSPY DLTRGRITYRYK ; _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 72 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8291.713 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P65118 . IF1_STAAM . . . . . . . . . . . . . . 25856 1 stop_ 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 1 MET . 25856 1 2 2 ALA . 25856 1 3 3 LYS . 25856 1 4 4 GLN . 25856 1 5 5 ASP . 25856 1 6 6 VAL . 25856 1 7 7 ILE . 25856 1 8 8 GLU . 25856 1 9 9 LEU . 25856 1 10 10 GLU . 25856 1 11 11 GLY . 25856 1 12 12 THR . 25856 1 13 13 VAL . 25856 1 14 14 LEU . 25856 1 15 15 ASP . 25856 1 16 16 THR . 25856 1 17 17 LEU . 25856 1 18 18 PRO . 25856 1 19 19 ASN . 25856 1 20 20 ALA . 25856 1 21 21 MET . 25856 1 22 22 PHE . 25856 1 23 23 LYS . 25856 1 24 24 VAL . 25856 1 25 25 GLU . 25856 1 26 26 LEU . 25856 1 27 27 GLU . 25856 1 28 28 ASN . 25856 1 29 29 GLY . 25856 1 30 30 HIS . 25856 1 31 31 GLU . 25856 1 32 32 ILE . 25856 1 33 33 LEU . 25856 1 34 34 ALA . 25856 1 35 35 HIS . 25856 1 36 36 VAL . 25856 1 37 37 SER . 25856 1 38 38 GLY . 25856 1 39 39 LYS . 25856 1 40 40 ILE . 25856 1 41 41 ARG . 25856 1 42 42 MET . 25856 1 43 43 ASN . 25856 1 44 44 TYR . 25856 1 45 45 ILE . 25856 1 46 46 ARG . 25856 1 47 47 ILE . 25856 1 48 48 LEU . 25856 1 49 49 PRO . 25856 1 50 50 GLY . 25856 1 51 51 ASP . 25856 1 52 52 LYS . 25856 1 53 53 VAL . 25856 1 54 54 THR . 25856 1 55 55 VAL . 25856 1 56 56 GLU . 25856 1 57 57 MET . 25856 1 58 58 SER . 25856 1 59 59 PRO . 25856 1 60 60 TYR . 25856 1 61 61 ASP . 25856 1 62 62 LEU . 25856 1 63 63 THR . 25856 1 64 64 ARG . 25856 1 65 65 GLY . 25856 1 66 66 ARG . 25856 1 67 67 ILE . 25856 1 68 68 THR . 25856 1 69 69 TYR . 25856 1 70 70 ARG . 25856 1 71 71 TYR . 25856 1 72 72 LYS . 25856 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 25856 1 . ALA 2 2 25856 1 . LYS 3 3 25856 1 . GLN 4 4 25856 1 . ASP 5 5 25856 1 . VAL 6 6 25856 1 . ILE 7 7 25856 1 . GLU 8 8 25856 1 . LEU 9 9 25856 1 . GLU 10 10 25856 1 . GLY 11 11 25856 1 . THR 12 12 25856 1 . VAL 13 13 25856 1 . LEU 14 14 25856 1 . ASP 15 15 25856 1 . THR 16 16 25856 1 . LEU 17 17 25856 1 . PRO 18 18 25856 1 . ASN 19 19 25856 1 . ALA 20 20 25856 1 . MET 21 21 25856 1 . PHE 22 22 25856 1 . LYS 23 23 25856 1 . VAL 24 24 25856 1 . GLU 25 25 25856 1 . LEU 26 26 25856 1 . GLU 27 27 25856 1 . ASN 28 28 25856 1 . GLY 29 29 25856 1 . HIS 30 30 25856 1 . GLU 31 31 25856 1 . ILE 32 32 25856 1 . LEU 33 33 25856 1 . ALA 34 34 25856 1 . HIS 35 35 25856 1 . VAL 36 36 25856 1 . SER 37 37 25856 1 . GLY 38 38 25856 1 . LYS 39 39 25856 1 . ILE 40 40 25856 1 . ARG 41 41 25856 1 . MET 42 42 25856 1 . ASN 43 43 25856 1 . TYR 44 44 25856 1 . ILE 45 45 25856 1 . ARG 46 46 25856 1 . ILE 47 47 25856 1 . LEU 48 48 25856 1 . PRO 49 49 25856 1 . GLY 50 50 25856 1 . ASP 51 51 25856 1 . LYS 52 52 25856 1 . VAL 53 53 25856 1 . THR 54 54 25856 1 . VAL 55 55 25856 1 . GLU 56 56 25856 1 . MET 57 57 25856 1 . SER 58 58 25856 1 . PRO 59 59 25856 1 . TYR 60 60 25856 1 . ASP 61 61 25856 1 . LEU 62 62 25856 1 . THR 63 63 25856 1 . ARG 64 64 25856 1 . GLY 65 65 25856 1 . ARG 66 66 25856 1 . ILE 67 67 25856 1 . THR 68 68 25856 1 . TYR 69 69 25856 1 . ARG 70 70 25856 1 . TYR 71 71 25856 1 . LYS 72 72 25856 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 25856 _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 $Translation_factor . 1388021 organism . 'Staphylococcus aureus' firmicutes . . Bacteria . Staphylococcus aureus Mu50 . . . . . . . . . . infA . 25856 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 25856 _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 $Translation_factor . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET21a . . . 25856 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25856 _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 PMSF 'natural abundance' . . 1 $Translation_factor . . 0.1 . . mM . . . . 25856 1 2 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 25856 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25856 1 4 MES 'natural abundance' . . . . . . 20 . . mM . . . . 25856 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25856 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25856 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 25856 _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 'ionic strength' 50 . mM 25856 1 pH 6 . pH 25856 1 pressure 1 . atm 25856 1 temperature 308 . K 25856 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25856 _Software.ID 1 _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' . . 25856 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25856 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 25856 _Software.ID 2 _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' . . 25856 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25856 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25856 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25856 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25856 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25856 _Software.ID 4 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 25856 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25856 4 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 25856 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25856 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 25856 _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 . 600 . . . 25856 1 2 spectrometer_2 Bruker Avance . 900 . . . 25856 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 25856 _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 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25856 1 2 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25856 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25856 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25856 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25856 1 6 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25856 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25856 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25856 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25856 1 10 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25856 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 25856 _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 . . . . . 25856 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25856 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25856 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 25856 _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 $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 '3D HNCO' . . . 25856 1 2 '3D HCACO' . . . 25856 1 7 '3D 1H-15N NOESY' . . . 25856 1 8 '3D 1H-13C NOESY' . . . 25856 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 5 5 ASP H H 1 8.370 . . . . . . A 5 ASP H . 25856 1 2 . 1 1 5 5 ASP HA H 1 4.581 . . . . . . A 5 ASP HA . 25856 1 3 . 1 1 5 5 ASP HB2 H 1 2.651 . . . . . . A 5 ASP HB2 . 25856 1 4 . 1 1 5 5 ASP HB3 H 1 2.655 . . . . . . A 5 ASP HB3 . 25856 1 5 . 1 1 5 5 ASP C C 13 175.317 . . . . . . A 5 ASP C . 25856 1 6 . 1 1 5 5 ASP CA C 13 54.687 . . . . . . A 5 ASP CA . 25856 1 7 . 1 1 5 5 ASP CB C 13 41.260 . . . . . . A 5 ASP CB . 25856 1 8 . 1 1 5 5 ASP N N 15 121.636 . . . . . . A 5 ASP N . 25856 1 9 . 1 1 6 6 VAL H H 1 7.702 . . . . . . A 6 VAL H . 25856 1 10 . 1 1 6 6 VAL HA H 1 4.555 . . . . . . A 6 VAL HA . 25856 1 11 . 1 1 6 6 VAL HB H 1 1.957 . . . . . . A 6 VAL HB . 25856 1 12 . 1 1 6 6 VAL HG11 H 1 0.814 . . . . . . A 6 VAL HG11 . 25856 1 13 . 1 1 6 6 VAL HG12 H 1 0.814 . . . . . . A 6 VAL HG12 . 25856 1 14 . 1 1 6 6 VAL HG13 H 1 0.814 . . . . . . A 6 VAL HG13 . 25856 1 15 . 1 1 6 6 VAL HG21 H 1 0.806 . . . . . . A 6 VAL HG21 . 25856 1 16 . 1 1 6 6 VAL HG22 H 1 0.806 . . . . . . A 6 VAL HG22 . 25856 1 17 . 1 1 6 6 VAL HG23 H 1 0.806 . . . . . . A 6 VAL HG23 . 25856 1 18 . 1 1 6 6 VAL C C 13 174.969 . . . . . . A 6 VAL C . 25856 1 19 . 1 1 6 6 VAL CA C 13 60.949 . . . . . . A 6 VAL CA . 25856 1 20 . 1 1 6 6 VAL CB C 13 35.032 . . . . . . A 6 VAL CB . 25856 1 21 . 1 1 6 6 VAL CG1 C 13 21.800 . . . . . . A 6 VAL CG1 . 25856 1 22 . 1 1 6 6 VAL CG2 C 13 19.804 . . . . . . A 6 VAL CG2 . 25856 1 23 . 1 1 6 6 VAL N N 15 116.054 . . . . . . A 6 VAL N . 25856 1 24 . 1 1 7 7 ILE H H 1 8.748 . . . . . . A 7 ILE H . 25856 1 25 . 1 1 7 7 ILE HA H 1 4.382 . . . . . . A 7 ILE HA . 25856 1 26 . 1 1 7 7 ILE HB H 1 1.684 . . . . . . A 7 ILE HB . 25856 1 27 . 1 1 7 7 ILE HG13 H 1 1.313 . . . . . . A 7 ILE HG13 . 25856 1 28 . 1 1 7 7 ILE HG21 H 1 0.814 . . . . . . A 7 ILE HG21 . 25856 1 29 . 1 1 7 7 ILE HG22 H 1 0.814 . . . . . . A 7 ILE HG22 . 25856 1 30 . 1 1 7 7 ILE HG23 H 1 0.814 . . . . . . A 7 ILE HG23 . 25856 1 31 . 1 1 7 7 ILE HD11 H 1 0.745 . . . . . . A 7 ILE HD11 . 25856 1 32 . 1 1 7 7 ILE HD12 H 1 0.745 . . . . . . A 7 ILE HD12 . 25856 1 33 . 1 1 7 7 ILE HD13 H 1 0.745 . . . . . . A 7 ILE HD13 . 25856 1 34 . 1 1 7 7 ILE C C 13 174.177 . . . . . . A 7 ILE C . 25856 1 35 . 1 1 7 7 ILE CA C 13 60.100 . . . . . . A 7 ILE CA . 25856 1 36 . 1 1 7 7 ILE CB C 13 40.712 . . . . . . A 7 ILE CB . 25856 1 37 . 1 1 7 7 ILE CG1 C 13 27.015 . . . . . . A 7 ILE CG1 . 25856 1 38 . 1 1 7 7 ILE CG2 C 13 17.637 . . . . . . A 7 ILE CG2 . 25856 1 39 . 1 1 7 7 ILE CD1 C 13 13.572 . . . . . . A 7 ILE CD1 . 25856 1 40 . 1 1 7 7 ILE N N 15 123.240 . . . . . . A 7 ILE N . 25856 1 41 . 1 1 8 8 GLU H H 1 8.236 . . . . . . A 8 GLU H . 25856 1 42 . 1 1 8 8 GLU HA H 1 5.350 . . . . . . A 8 GLU HA . 25856 1 43 . 1 1 8 8 GLU HB2 H 1 1.962 . . . . . . A 8 GLU HB2 . 25856 1 44 . 1 1 8 8 GLU HB3 H 1 1.782 . . . . . . A 8 GLU HB3 . 25856 1 45 . 1 1 8 8 GLU HG2 H 1 1.941 . . . . . . A 8 GLU HG2 . 25856 1 46 . 1 1 8 8 GLU HG3 H 1 2.107 . . . . . . A 8 GLU HG3 . 25856 1 47 . 1 1 8 8 GLU C C 13 175.592 . . . . . . A 8 GLU C . 25856 1 48 . 1 1 8 8 GLU CA C 13 54.724 . . . . . . A 8 GLU CA . 25856 1 49 . 1 1 8 8 GLU CB C 13 33.510 . . . . . . A 8 GLU CB . 25856 1 50 . 1 1 8 8 GLU CG C 13 37.233 . . . . . . A 8 GLU CG . 25856 1 51 . 1 1 8 8 GLU N N 15 124.266 . . . . . . A 8 GLU N . 25856 1 52 . 1 1 9 9 LEU H H 1 8.947 . . . . . . A 9 LEU H . 25856 1 53 . 1 1 9 9 LEU HA H 1 4.777 . . . . . . A 9 LEU HA . 25856 1 54 . 1 1 9 9 LEU HB2 H 1 1.487 . . . . . . A 9 LEU HB2 . 25856 1 55 . 1 1 9 9 LEU HB3 H 1 1.774 . . . . . . A 9 LEU HB3 . 25856 1 56 . 1 1 9 9 LEU HG H 1 0.845 . . . . . . A 9 LEU HG . 25856 1 57 . 1 1 9 9 LEU HD11 H 1 0.878 . . . . . . A 9 LEU HD11 . 25856 1 58 . 1 1 9 9 LEU HD12 H 1 0.878 . . . . . . A 9 LEU HD12 . 25856 1 59 . 1 1 9 9 LEU HD13 H 1 0.878 . . . . . . A 9 LEU HD13 . 25856 1 60 . 1 1 9 9 LEU C C 13 174.654 . . . . . . A 9 LEU C . 25856 1 61 . 1 1 9 9 LEU CA C 13 53.872 . . . . . . A 9 LEU CA . 25856 1 62 . 1 1 9 9 LEU CB C 13 47.173 . . . . . . A 9 LEU CB . 25856 1 63 . 1 1 9 9 LEU CG C 13 26.835 . . . . . . A 9 LEU CG . 25856 1 64 . 1 1 9 9 LEU CD1 C 13 24.140 . . . . . . A 9 LEU CD1 . 25856 1 65 . 1 1 9 9 LEU N N 15 125.462 . . . . . . A 9 LEU N . 25856 1 66 . 1 1 10 10 GLU H H 1 8.697 . . . . . . A 10 GLU H . 25856 1 67 . 1 1 10 10 GLU HA H 1 5.176 . . . . . . A 10 GLU HA . 25856 1 68 . 1 1 10 10 GLU HB2 H 1 1.914 . . . . . . A 10 GLU HB2 . 25856 1 69 . 1 1 10 10 GLU HB3 H 1 1.949 . . . . . . A 10 GLU HB3 . 25856 1 70 . 1 1 10 10 GLU HG2 H 1 2.240 . . . . . . A 10 GLU HG2 . 25856 1 71 . 1 1 10 10 GLU HG3 H 1 2.273 . . . . . . A 10 GLU HG3 . 25856 1 72 . 1 1 10 10 GLU C C 13 176.424 . . . . . . A 10 GLU C . 25856 1 73 . 1 1 10 10 GLU CA C 13 55.272 . . . . . . A 10 GLU CA . 25856 1 74 . 1 1 10 10 GLU CB C 13 31.815 . . . . . . A 10 GLU CB . 25856 1 75 . 1 1 10 10 GLU CG C 13 37.050 . . . . . . A 10 GLU CG . 25856 1 76 . 1 1 10 10 GLU N N 15 119.884 . . . . . . A 10 GLU N . 25856 1 77 . 1 1 11 11 GLY H H 1 8.896 . . . . . . A 11 GLY H . 25856 1 78 . 1 1 11 11 GLY HA2 H 1 4.818 . . . . . . A 11 GLY HA2 . 25856 1 79 . 1 1 11 11 GLY HA3 H 1 4.820 . . . . . . A 11 GLY HA3 . 25856 1 80 . 1 1 11 11 GLY C C 13 171.493 . . . . . . A 11 GLY C . 25856 1 81 . 1 1 11 11 GLY CA C 13 45.682 . . . . . . A 11 GLY CA . 25856 1 82 . 1 1 11 11 GLY N N 15 107.302 . . . . . . A 11 GLY N . 25856 1 83 . 1 1 12 12 THR H H 1 8.551 . . . . . . A 12 THR H . 25856 1 84 . 1 1 12 12 THR HA H 1 5.057 . . . . . . A 12 THR HA . 25856 1 85 . 1 1 12 12 THR HB H 1 3.806 . . . . . . A 12 THR HB . 25856 1 86 . 1 1 12 12 THR HG21 H 1 1.023 . . . . . . A 12 THR HG21 . 25856 1 87 . 1 1 12 12 THR HG22 H 1 1.023 . . . . . . A 12 THR HG22 . 25856 1 88 . 1 1 12 12 THR HG23 H 1 1.023 . . . . . . A 12 THR HG23 . 25856 1 89 . 1 1 12 12 THR C C 13 174.347 . . . . . . A 12 THR C . 25856 1 90 . 1 1 12 12 THR CA C 13 61.226 . . . . . . A 12 THR CA . 25856 1 91 . 1 1 12 12 THR CB C 13 71.245 . . . . . . A 12 THR CB . 25856 1 92 . 1 1 12 12 THR CG2 C 13 21.056 . . . . . . A 12 THR CG2 . 25856 1 93 . 1 1 12 12 THR N N 15 115.723 . . . . . . A 12 THR N . 25856 1 94 . 1 1 13 13 VAL H H 1 9.135 . . . . . . A 13 VAL H . 25856 1 95 . 1 1 13 13 VAL HA H 1 3.800 . . . . . . A 13 VAL HA . 25856 1 96 . 1 1 13 13 VAL HB H 1 2.196 . . . . . . A 13 VAL HB . 25856 1 97 . 1 1 13 13 VAL HG11 H 1 0.654 . . . . . . A 13 VAL HG11 . 25856 1 98 . 1 1 13 13 VAL HG12 H 1 0.654 . . . . . . A 13 VAL HG12 . 25856 1 99 . 1 1 13 13 VAL HG13 H 1 0.654 . . . . . . A 13 VAL HG13 . 25856 1 100 . 1 1 13 13 VAL HG21 H 1 0.744 . . . . . . A 13 VAL HG21 . 25856 1 101 . 1 1 13 13 VAL HG22 H 1 0.744 . . . . . . A 13 VAL HG22 . 25856 1 102 . 1 1 13 13 VAL HG23 H 1 0.744 . . . . . . A 13 VAL HG23 . 25856 1 103 . 1 1 13 13 VAL C C 13 175.760 . . . . . . A 13 VAL C . 25856 1 104 . 1 1 13 13 VAL CA C 13 64.518 . . . . . . A 13 VAL CA . 25856 1 105 . 1 1 13 13 VAL CB C 13 31.555 . . . . . . A 13 VAL CB . 25856 1 106 . 1 1 13 13 VAL CG1 C 13 22.390 . . . . . . A 13 VAL CG1 . 25856 1 107 . 1 1 13 13 VAL CG2 C 13 22.144 . . . . . . A 13 VAL CG2 . 25856 1 108 . 1 1 13 13 VAL N N 15 127.141 . . . . . . A 13 VAL N . 25856 1 109 . 1 1 14 14 LEU H H 1 9.536 . . . . . . A 14 LEU H . 25856 1 110 . 1 1 14 14 LEU HA H 1 4.550 . . . . . . A 14 LEU HA . 25856 1 111 . 1 1 14 14 LEU HB3 H 1 1.472 . . . . . . A 14 LEU HB3 . 25856 1 112 . 1 1 14 14 LEU C C 13 176.277 . . . . . . A 14 LEU C . 25856 1 113 . 1 1 14 14 LEU CA C 13 55.675 . . . . . . A 14 LEU CA . 25856 1 114 . 1 1 14 14 LEU CB C 13 44.004 . . . . . . A 14 LEU CB . 25856 1 115 . 1 1 14 14 LEU CG C 13 26.640 . . . . . . A 14 LEU CG . 25856 1 116 . 1 1 14 14 LEU N N 15 129.942 . . . . . . A 14 LEU N . 25856 1 117 . 1 1 15 15 ASP H H 1 7.609 . . . . . . A 15 ASP H . 25856 1 118 . 1 1 15 15 ASP HA H 1 4.978 . . . . . . A 15 ASP HA . 25856 1 119 . 1 1 15 15 ASP HB2 H 1 2.342 . . . . . . A 15 ASP HB2 . 25856 1 120 . 1 1 15 15 ASP HB3 H 1 2.347 . . . . . . A 15 ASP HB3 . 25856 1 121 . 1 1 15 15 ASP C C 13 174.864 . . . . . . A 15 ASP C . 25856 1 122 . 1 1 15 15 ASP CA C 13 53.317 . . . . . . A 15 ASP CA . 25856 1 123 . 1 1 15 15 ASP CB C 13 44.770 . . . . . . A 15 ASP CB . 25856 1 124 . 1 1 15 15 ASP N N 15 113.621 . . . . . . A 15 ASP N . 25856 1 125 . 1 1 16 16 THR H H 1 8.841 . . . . . . A 16 THR H . 25856 1 126 . 1 1 16 16 THR HA H 1 4.298 . . . . . . A 16 THR HA . 25856 1 127 . 1 1 16 16 THR HB H 1 4.157 . . . . . . A 16 THR HB . 25856 1 128 . 1 1 16 16 THR HG21 H 1 1.211 . . . . . . A 16 THR HG21 . 25856 1 129 . 1 1 16 16 THR HG22 H 1 1.211 . . . . . . A 16 THR HG22 . 25856 1 130 . 1 1 16 16 THR HG23 H 1 1.211 . . . . . . A 16 THR HG23 . 25856 1 131 . 1 1 16 16 THR C C 13 172.704 . . . . . . A 16 THR C . 25856 1 132 . 1 1 16 16 THR CA C 13 60.251 . . . . . . A 16 THR CA . 25856 1 133 . 1 1 16 16 THR CB C 13 69.494 . . . . . . A 16 THR CB . 25856 1 134 . 1 1 16 16 THR CG2 C 13 21.424 . . . . . . A 16 THR CG2 . 25856 1 135 . 1 1 16 16 THR N N 15 115.901 . . . . . . A 16 THR N . 25856 1 136 . 1 1 17 17 LEU H H 1 7.913 . . . . . . A 17 LEU H . 25856 1 137 . 1 1 17 17 LEU HA H 1 4.683 . . . . . . A 17 LEU HA . 25856 1 138 . 1 1 17 17 LEU HB2 H 1 1.178 . . . . . . A 17 LEU HB2 . 25856 1 139 . 1 1 17 17 LEU HB3 H 1 1.449 . . . . . . A 17 LEU HB3 . 25856 1 140 . 1 1 17 17 LEU HD11 H 1 0.760 . . . . . . A 17 LEU HD11 . 25856 1 141 . 1 1 17 17 LEU HD12 H 1 0.760 . . . . . . A 17 LEU HD12 . 25856 1 142 . 1 1 17 17 LEU HD13 H 1 0.760 . . . . . . A 17 LEU HD13 . 25856 1 143 . 1 1 17 17 LEU C C 13 174.509 . . . . . . A 17 LEU C . 25856 1 144 . 1 1 17 17 LEU CA C 13 52.794 . . . . . . A 17 LEU CA . 25856 1 145 . 1 1 17 17 LEU CB C 13 42.581 . . . . . . A 17 LEU CB . 25856 1 146 . 1 1 17 17 LEU CG C 13 26.024 . . . . . . A 17 LEU CG . 25856 1 147 . 1 1 17 17 LEU CD1 C 13 23.629 . . . . . . A 17 LEU CD1 . 25856 1 148 . 1 1 17 17 LEU N N 15 125.747 . . . . . . A 17 LEU N . 25856 1 149 . 1 1 18 18 PRO HA H 1 4.324 . . . . . . A 18 PRO HA . 25856 1 150 . 1 1 18 18 PRO HB2 H 1 1.681 . . . . . . A 18 PRO HB2 . 25856 1 151 . 1 1 18 18 PRO HG3 H 1 1.900 . . . . . . A 18 PRO HG3 . 25856 1 152 . 1 1 18 18 PRO HD3 H 1 3.437 . . . . . . A 18 PRO HD3 . 25856 1 153 . 1 1 18 18 PRO C C 13 175.973 . . . . . . A 18 PRO C . 25856 1 154 . 1 1 18 18 PRO CA C 13 63.149 . . . . . . A 18 PRO CA . 25856 1 155 . 1 1 18 18 PRO CB C 13 32.228 . . . . . . A 18 PRO CB . 25856 1 156 . 1 1 18 18 PRO CG C 13 27.827 . . . . . . A 18 PRO CG . 25856 1 157 . 1 1 18 18 PRO CD C 13 50.716 . . . . . . A 18 PRO CD . 25856 1 158 . 1 1 19 19 ASN H H 1 8.598 . . . . . . A 19 ASN H . 25856 1 159 . 1 1 19 19 ASN HA H 1 4.231 . . . . . . A 19 ASN HA . 25856 1 160 . 1 1 19 19 ASN HB2 H 1 2.814 . . . . . . A 19 ASN HB2 . 25856 1 161 . 1 1 19 19 ASN HB3 H 1 2.831 . . . . . . A 19 ASN HB3 . 25856 1 162 . 1 1 19 19 ASN C C 13 174.180 . . . . . . A 19 ASN C . 25856 1 163 . 1 1 19 19 ASN CA C 13 54.099 . . . . . . A 19 ASN CA . 25856 1 164 . 1 1 19 19 ASN CB C 13 36.910 . . . . . . A 19 ASN CB . 25856 1 165 . 1 1 19 19 ASN N N 15 115.147 . . . . . . A 19 ASN N . 25856 1 166 . 1 1 20 20 ALA H H 1 8.335 . . . . . . A 20 ALA H . 25856 1 167 . 1 1 20 20 ALA HA H 1 3.801 . . . . . . A 20 ALA HA . 25856 1 168 . 1 1 20 20 ALA HB1 H 1 1.377 . . . . . . A 20 ALA HB1 . 25856 1 169 . 1 1 20 20 ALA HB2 H 1 1.377 . . . . . . A 20 ALA HB2 . 25856 1 170 . 1 1 20 20 ALA HB3 H 1 1.377 . . . . . . A 20 ALA HB3 . 25856 1 171 . 1 1 20 20 ALA C C 13 174.990 . . . . . . A 20 ALA C . 25856 1 172 . 1 1 20 20 ALA CA C 13 52.956 . . . . . . A 20 ALA CA . 25856 1 173 . 1 1 20 20 ALA CB C 13 16.543 . . . . . . A 20 ALA CB . 25856 1 174 . 1 1 20 20 ALA N N 15 116.191 . . . . . . A 20 ALA N . 25856 1 175 . 1 1 21 21 MET H H 1 6.302 . . . . . . A 21 MET H . 25856 1 176 . 1 1 21 21 MET HA H 1 5.124 . . . . . . A 21 MET HA . 25856 1 177 . 1 1 21 21 MET HB2 H 1 1.755 . . . . . . A 21 MET HB2 . 25856 1 178 . 1 1 21 21 MET HB3 H 1 1.758 . . . . . . A 21 MET HB3 . 25856 1 179 . 1 1 21 21 MET HG3 H 1 2.524 . . . . . . A 21 MET HG3 . 25856 1 180 . 1 1 21 21 MET C C 13 175.205 . . . . . . A 21 MET C . 25856 1 181 . 1 1 21 21 MET CA C 13 54.597 . . . . . . A 21 MET CA . 25856 1 182 . 1 1 21 21 MET CB C 13 35.150 . . . . . . A 21 MET CB . 25856 1 183 . 1 1 21 21 MET CG C 13 32.334 . . . . . . A 21 MET CG . 25856 1 184 . 1 1 21 21 MET N N 15 113.560 . . . . . . A 21 MET N . 25856 1 185 . 1 1 22 22 PHE H H 1 9.007 . . . . . . A 22 PHE H . 25856 1 186 . 1 1 22 22 PHE HA H 1 4.918 . . . . . . A 22 PHE HA . 25856 1 187 . 1 1 22 22 PHE HB2 H 1 2.851 . . . . . . A 22 PHE HB2 . 25856 1 188 . 1 1 22 22 PHE HB3 H 1 2.446 . . . . . . A 22 PHE HB3 . 25856 1 189 . 1 1 22 22 PHE C C 13 174.697 . . . . . . A 22 PHE C . 25856 1 190 . 1 1 22 22 PHE CA C 13 57.132 . . . . . . A 22 PHE CA . 25856 1 191 . 1 1 22 22 PHE CB C 13 43.134 . . . . . . A 22 PHE CB . 25856 1 192 . 1 1 22 22 PHE N N 15 117.199 . . . . . . A 22 PHE N . 25856 1 193 . 1 1 23 23 LYS H H 1 8.340 . . . . . . A 23 LYS H . 25856 1 194 . 1 1 23 23 LYS HA H 1 5.117 . . . . . . A 23 LYS HA . 25856 1 195 . 1 1 23 23 LYS HB2 H 1 1.612 . . . . . . A 23 LYS HB2 . 25856 1 196 . 1 1 23 23 LYS HB3 H 1 1.683 . . . . . . A 23 LYS HB3 . 25856 1 197 . 1 1 23 23 LYS HG2 H 1 1.308 . . . . . . A 23 LYS HG2 . 25856 1 198 . 1 1 23 23 LYS HG3 H 1 1.412 . . . . . . A 23 LYS HG3 . 25856 1 199 . 1 1 23 23 LYS HD3 H 1 1.365 . . . . . . A 23 LYS HD3 . 25856 1 200 . 1 1 23 23 LYS C C 13 175.853 . . . . . . A 23 LYS C . 25856 1 201 . 1 1 23 23 LYS CA C 13 55.596 . . . . . . A 23 LYS CA . 25856 1 202 . 1 1 23 23 LYS CB C 13 34.022 . . . . . . A 23 LYS CB . 25856 1 203 . 1 1 23 23 LYS CG C 13 24.792 . . . . . . A 23 LYS CG . 25856 1 204 . 1 1 23 23 LYS CD C 13 28.580 . . . . . . A 23 LYS CD . 25856 1 205 . 1 1 23 23 LYS N N 15 122.934 . . . . . . A 23 LYS N . 25856 1 206 . 1 1 24 24 VAL H H 1 9.123 . . . . . . A 24 VAL H . 25856 1 207 . 1 1 24 24 VAL HA H 1 4.641 . . . . . . A 24 VAL HA . 25856 1 208 . 1 1 24 24 VAL HB H 1 1.679 . . . . . . A 24 VAL HB . 25856 1 209 . 1 1 24 24 VAL HG21 H 1 0.511 . . . . . . A 24 VAL HG21 . 25856 1 210 . 1 1 24 24 VAL HG22 H 1 0.511 . . . . . . A 24 VAL HG22 . 25856 1 211 . 1 1 24 24 VAL HG23 H 1 0.511 . . . . . . A 24 VAL HG23 . 25856 1 212 . 1 1 24 24 VAL C C 13 173.199 . . . . . . A 24 VAL C . 25856 1 213 . 1 1 24 24 VAL CA C 13 60.705 . . . . . . A 24 VAL CA . 25856 1 214 . 1 1 24 24 VAL CB C 13 35.609 . . . . . . A 24 VAL CB . 25856 1 215 . 1 1 24 24 VAL CG2 C 13 21.294 . . . . . . A 24 VAL CG2 . 25856 1 216 . 1 1 24 24 VAL N N 15 128.487 . . . . . . A 24 VAL N . 25856 1 217 . 1 1 25 25 GLU H H 1 9.017 . . . . . . A 25 GLU H . 25856 1 218 . 1 1 25 25 GLU HA H 1 4.713 . . . . . . A 25 GLU HA . 25856 1 219 . 1 1 25 25 GLU HB3 H 1 2.001 . . . . . . A 25 GLU HB3 . 25856 1 220 . 1 1 25 25 GLU HG3 H 1 2.271 . . . . . . A 25 GLU HG3 . 25856 1 221 . 1 1 25 25 GLU C C 13 176.358 . . . . . . A 25 GLU C . 25856 1 222 . 1 1 25 25 GLU CA C 13 54.907 . . . . . . A 25 GLU CA . 25856 1 223 . 1 1 25 25 GLU CB C 13 31.639 . . . . . . A 25 GLU CB . 25856 1 224 . 1 1 25 25 GLU CG C 13 36.209 . . . . . . A 25 GLU CG . 25856 1 225 . 1 1 25 25 GLU N N 15 127.440 . . . . . . A 25 GLU N . 25856 1 226 . 1 1 26 26 LEU H H 1 9.101 . . . . . . A 26 LEU H . 25856 1 227 . 1 1 26 26 LEU HA H 1 4.804 . . . . . . A 26 LEU HA . 25856 1 228 . 1 1 26 26 LEU HB3 H 1 2.354 . . . . . . A 26 LEU HB3 . 25856 1 229 . 1 1 26 26 LEU C C 13 179.339 . . . . . . A 26 LEU C . 25856 1 230 . 1 1 26 26 LEU CA C 13 54.822 . . . . . . A 26 LEU CA . 25856 1 231 . 1 1 26 26 LEU CB C 13 43.568 . . . . . . A 26 LEU CB . 25856 1 232 . 1 1 26 26 LEU N N 15 128.629 . . . . . . A 26 LEU N . 25856 1 233 . 1 1 27 27 GLU H H 1 8.794 . . . . . . A 27 GLU H . 25856 1 234 . 1 1 27 27 GLU HA H 1 4.162 . . . . . . A 27 GLU HA . 25856 1 235 . 1 1 27 27 GLU HB2 H 1 2.155 . . . . . . A 27 GLU HB2 . 25856 1 236 . 1 1 27 27 GLU HB3 H 1 2.113 . . . . . . A 27 GLU HB3 . 25856 1 237 . 1 1 27 27 GLU HG2 H 1 2.367 . . . . . . A 27 GLU HG2 . 25856 1 238 . 1 1 27 27 GLU HG3 H 1 2.358 . . . . . . A 27 GLU HG3 . 25856 1 239 . 1 1 27 27 GLU C C 13 175.724 . . . . . . A 27 GLU C . 25856 1 240 . 1 1 27 27 GLU CA C 13 58.389 . . . . . . A 27 GLU CA . 25856 1 241 . 1 1 27 27 GLU CB C 13 29.682 . . . . . . A 27 GLU CB . 25856 1 242 . 1 1 27 27 GLU CG C 13 36.366 . . . . . . A 27 GLU CG . 25856 1 243 . 1 1 27 27 GLU N N 15 119.613 . . . . . . A 27 GLU N . 25856 1 244 . 1 1 28 28 ASN H H 1 7.183 . . . . . . A 28 ASN H . 25856 1 245 . 1 1 28 28 ASN HA H 1 4.611 . . . . . . A 28 ASN HA . 25856 1 246 . 1 1 28 28 ASN HB2 H 1 3.208 . . . . . . A 28 ASN HB2 . 25856 1 247 . 1 1 28 28 ASN HB3 H 1 3.197 . . . . . . A 28 ASN HB3 . 25856 1 248 . 1 1 28 28 ASN C C 13 176.299 . . . . . . A 28 ASN C . 25856 1 249 . 1 1 28 28 ASN CA C 13 52.481 . . . . . . A 28 ASN CA . 25856 1 250 . 1 1 28 28 ASN CB C 13 37.706 . . . . . . A 28 ASN CB . 25856 1 251 . 1 1 28 28 ASN N N 15 114.625 . . . . . . A 28 ASN N . 25856 1 252 . 1 1 29 29 GLY H H 1 6.899 . . . . . . A 29 GLY H . 25856 1 253 . 1 1 29 29 GLY HA2 H 1 3.725 . . . . . . A 29 GLY HA2 . 25856 1 254 . 1 1 29 29 GLY HA3 H 1 4.187 . . . . . . A 29 GLY HA3 . 25856 1 255 . 1 1 29 29 GLY C C 13 174.243 . . . . . . A 29 GLY C . 25856 1 256 . 1 1 29 29 GLY CA C 13 45.307 . . . . . . A 29 GLY CA . 25856 1 257 . 1 1 29 29 GLY N N 15 107.903 . . . . . . A 29 GLY N . 25856 1 258 . 1 1 30 30 HIS H H 1 7.739 . . . . . . A 30 HIS H . 25856 1 259 . 1 1 30 30 HIS HA H 1 4.664 . . . . . . A 30 HIS HA . 25856 1 260 . 1 1 30 30 HIS HB2 H 1 2.974 . . . . . . A 30 HIS HB2 . 25856 1 261 . 1 1 30 30 HIS HB3 H 1 3.123 . . . . . . A 30 HIS HB3 . 25856 1 262 . 1 1 30 30 HIS C C 13 173.476 . . . . . . A 30 HIS C . 25856 1 263 . 1 1 30 30 HIS CA C 13 55.947 . . . . . . A 30 HIS CA . 25856 1 264 . 1 1 30 30 HIS CB C 13 30.161 . . . . . . A 30 HIS CB . 25856 1 265 . 1 1 30 30 HIS N N 15 118.953 . . . . . . A 30 HIS N . 25856 1 266 . 1 1 31 31 GLU H H 1 8.495 . . . . . . A 31 GLU H . 25856 1 267 . 1 1 31 31 GLU HA H 1 5.241 . . . . . . A 31 GLU HA . 25856 1 268 . 1 1 31 31 GLU HB3 H 1 1.911 . . . . . . A 31 GLU HB3 . 25856 1 269 . 1 1 31 31 GLU HG2 H 1 2.217 . . . . . . A 31 GLU HG2 . 25856 1 270 . 1 1 31 31 GLU HG3 H 1 2.239 . . . . . . A 31 GLU HG3 . 25856 1 271 . 1 1 31 31 GLU C C 13 176.181 . . . . . . A 31 GLU C . 25856 1 272 . 1 1 31 31 GLU CA C 13 55.088 . . . . . . A 31 GLU CA . 25856 1 273 . 1 1 31 31 GLU CB C 13 31.883 . . . . . . A 31 GLU CB . 25856 1 274 . 1 1 31 31 GLU CG C 13 36.659 . . . . . . A 31 GLU CG . 25856 1 275 . 1 1 31 31 GLU N N 15 123.512 . . . . . . A 31 GLU N . 25856 1 276 . 1 1 32 32 ILE H H 1 9.005 . . . . . . A 32 ILE H . 25856 1 277 . 1 1 32 32 ILE HA H 1 4.714 . . . . . . A 32 ILE HA . 25856 1 278 . 1 1 32 32 ILE C C 13 174.438 . . . . . . A 32 ILE C . 25856 1 279 . 1 1 32 32 ILE CA C 13 59.190 . . . . . . A 32 ILE CA . 25856 1 280 . 1 1 32 32 ILE CB C 13 43.234 . . . . . . A 32 ILE CB . 25856 1 281 . 1 1 32 32 ILE CG1 C 13 26.451 . . . . . . A 32 ILE CG1 . 25856 1 282 . 1 1 32 32 ILE CG2 C 13 18.742 . . . . . . A 32 ILE CG2 . 25856 1 283 . 1 1 32 32 ILE CD1 C 13 15.813 . . . . . . A 32 ILE CD1 . 25856 1 284 . 1 1 32 32 ILE N N 15 117.654 . . . . . . A 32 ILE N . 25856 1 285 . 1 1 33 33 LEU H H 1 7.713 . . . . . . A 33 LEU H . 25856 1 286 . 1 1 33 33 LEU HA H 1 5.217 . . . . . . A 33 LEU HA . 25856 1 287 . 1 1 33 33 LEU HB2 H 1 1.704 . . . . . . A 33 LEU HB2 . 25856 1 288 . 1 1 33 33 LEU HB3 H 1 1.609 . . . . . . A 33 LEU HB3 . 25856 1 289 . 1 1 33 33 LEU HG H 1 1.678 . . . . . . A 33 LEU HG . 25856 1 290 . 1 1 33 33 LEU HD11 H 1 0.777 . . . . . . A 33 LEU HD11 . 25856 1 291 . 1 1 33 33 LEU HD12 H 1 0.777 . . . . . . A 33 LEU HD12 . 25856 1 292 . 1 1 33 33 LEU HD13 H 1 0.777 . . . . . . A 33 LEU HD13 . 25856 1 293 . 1 1 33 33 LEU C C 13 176.190 . . . . . . A 33 LEU C . 25856 1 294 . 1 1 33 33 LEU CA C 13 53.843 . . . . . . A 33 LEU CA . 25856 1 295 . 1 1 33 33 LEU CB C 13 43.758 . . . . . . A 33 LEU CB . 25856 1 296 . 1 1 33 33 LEU CG C 13 27.323 . . . . . . A 33 LEU CG . 25856 1 297 . 1 1 33 33 LEU CD1 C 13 24.993 . . . . . . A 33 LEU CD1 . 25856 1 298 . 1 1 33 33 LEU CD2 C 13 24.203 . . . . . . A 33 LEU CD2 . 25856 1 299 . 1 1 33 33 LEU N N 15 122.166 . . . . . . A 33 LEU N . 25856 1 300 . 1 1 34 34 ALA H H 1 9.442 . . . . . . A 34 ALA H . 25856 1 301 . 1 1 34 34 ALA HA H 1 5.492 . . . . . . A 34 ALA HA . 25856 1 302 . 1 1 34 34 ALA HB1 H 1 1.123 . . . . . . A 34 ALA HB1 . 25856 1 303 . 1 1 34 34 ALA HB2 H 1 1.123 . . . . . . A 34 ALA HB2 . 25856 1 304 . 1 1 34 34 ALA HB3 H 1 1.123 . . . . . . A 34 ALA HB3 . 25856 1 305 . 1 1 34 34 ALA C C 13 175.700 . . . . . . A 34 ALA C . 25856 1 306 . 1 1 34 34 ALA CA C 13 50.257 . . . . . . A 34 ALA CA . 25856 1 307 . 1 1 34 34 ALA CB C 13 23.151 . . . . . . A 34 ALA CB . 25856 1 308 . 1 1 34 34 ALA N N 15 125.096 . . . . . . A 34 ALA N . 25856 1 309 . 1 1 35 35 HIS H H 1 7.751 . . . . . . A 35 HIS H . 25856 1 310 . 1 1 35 35 HIS HA H 1 5.508 . . . . . . A 35 HIS HA . 25856 1 311 . 1 1 35 35 HIS HB2 H 1 3.347 . . . . . . A 35 HIS HB2 . 25856 1 312 . 1 1 35 35 HIS HB3 H 1 3.350 . . . . . . A 35 HIS HB3 . 25856 1 313 . 1 1 35 35 HIS C C 13 174.787 . . . . . . A 35 HIS C . 25856 1 314 . 1 1 35 35 HIS CA C 13 54.429 . . . . . . A 35 HIS CA . 25856 1 315 . 1 1 35 35 HIS CB C 13 33.178 . . . . . . A 35 HIS CB . 25856 1 316 . 1 1 35 35 HIS N N 15 117.670 . . . . . . A 35 HIS N . 25856 1 317 . 1 1 36 36 VAL H H 1 9.217 . . . . . . A 36 VAL H . 25856 1 318 . 1 1 36 36 VAL HA H 1 4.402 . . . . . . A 36 VAL HA . 25856 1 319 . 1 1 36 36 VAL HB H 1 2.064 . . . . . . A 36 VAL HB . 25856 1 320 . 1 1 36 36 VAL HG11 H 1 1.008 . . . . . . A 36 VAL HG11 . 25856 1 321 . 1 1 36 36 VAL HG12 H 1 1.008 . . . . . . A 36 VAL HG12 . 25856 1 322 . 1 1 36 36 VAL HG13 H 1 1.008 . . . . . . A 36 VAL HG13 . 25856 1 323 . 1 1 36 36 VAL HG21 H 1 0.992 . . . . . . A 36 VAL HG21 . 25856 1 324 . 1 1 36 36 VAL HG22 H 1 0.992 . . . . . . A 36 VAL HG22 . 25856 1 325 . 1 1 36 36 VAL HG23 H 1 0.992 . . . . . . A 36 VAL HG23 . 25856 1 326 . 1 1 36 36 VAL C C 13 175.551 . . . . . . A 36 VAL C . 25856 1 327 . 1 1 36 36 VAL CA C 13 62.333 . . . . . . A 36 VAL CA . 25856 1 328 . 1 1 36 36 VAL CB C 13 33.389 . . . . . . A 36 VAL CB . 25856 1 329 . 1 1 36 36 VAL CG1 C 13 22.161 . . . . . . A 36 VAL CG1 . 25856 1 330 . 1 1 36 36 VAL CG2 C 13 21.654 . . . . . . A 36 VAL CG2 . 25856 1 331 . 1 1 36 36 VAL N N 15 119.236 . . . . . . A 36 VAL N . 25856 1 332 . 1 1 37 37 SER H H 1 8.375 . . . . . . A 37 SER H . 25856 1 333 . 1 1 37 37 SER HA H 1 4.425 . . . . . . A 37 SER HA . 25856 1 334 . 1 1 37 37 SER HB2 H 1 3.994 . . . . . . A 37 SER HB2 . 25856 1 335 . 1 1 37 37 SER HB3 H 1 3.763 . . . . . . A 37 SER HB3 . 25856 1 336 . 1 1 37 37 SER C C 13 175.003 . . . . . . A 37 SER C . 25856 1 337 . 1 1 37 37 SER CA C 13 57.971 . . . . . . A 37 SER CA . 25856 1 338 . 1 1 37 37 SER CB C 13 64.761 . . . . . . A 37 SER CB . 25856 1 339 . 1 1 37 37 SER N N 15 119.884 . . . . . . A 37 SER N . 25856 1 340 . 1 1 38 38 GLY H H 1 8.822 . . . . . . A 38 GLY H . 25856 1 341 . 1 1 38 38 GLY HA2 H 1 4.259 . . . . . . A 38 GLY HA2 . 25856 1 342 . 1 1 38 38 GLY HA3 H 1 4.256 . . . . . . A 38 GLY HA3 . 25856 1 343 . 1 1 38 38 GLY C C 13 175.253 . . . . . . A 38 GLY C . 25856 1 344 . 1 1 38 38 GLY CA C 13 46.755 . . . . . . A 38 GLY CA . 25856 1 345 . 1 1 38 38 GLY N N 15 122.166 . . . . . . A 38 GLY N . 25856 1 346 . 1 1 39 39 LYS H H 1 8.135 . . . . . . A 39 LYS H . 25856 1 347 . 1 1 39 39 LYS HA H 1 4.057 . . . . . . A 39 LYS HA . 25856 1 348 . 1 1 39 39 LYS HB2 H 1 1.794 . . . . . . A 39 LYS HB2 . 25856 1 349 . 1 1 39 39 LYS HB3 H 1 1.776 . . . . . . A 39 LYS HB3 . 25856 1 350 . 1 1 39 39 LYS C C 13 177.734 . . . . . . A 39 LYS C . 25856 1 351 . 1 1 39 39 LYS CA C 13 58.036 . . . . . . A 39 LYS CA . 25856 1 352 . 1 1 39 39 LYS CB C 13 32.988 . . . . . . A 39 LYS CB . 25856 1 353 . 1 1 39 39 LYS N N 15 120.070 . . . . . . A 39 LYS N . 25856 1 354 . 1 1 40 40 ILE H H 1 7.416 . . . . . . A 40 ILE H . 25856 1 355 . 1 1 40 40 ILE HA H 1 4.030 . . . . . . A 40 ILE HA . 25856 1 356 . 1 1 40 40 ILE HB H 1 1.947 . . . . . . A 40 ILE HB . 25856 1 357 . 1 1 40 40 ILE HG12 H 1 1.131 . . . . . . A 40 ILE HG12 . 25856 1 358 . 1 1 40 40 ILE HG13 H 1 1.330 . . . . . . A 40 ILE HG13 . 25856 1 359 . 1 1 40 40 ILE HG21 H 1 0.756 . . . . . . A 40 ILE HG21 . 25856 1 360 . 1 1 40 40 ILE HG22 H 1 0.756 . . . . . . A 40 ILE HG22 . 25856 1 361 . 1 1 40 40 ILE HG23 H 1 0.756 . . . . . . A 40 ILE HG23 . 25856 1 362 . 1 1 40 40 ILE HD11 H 1 0.647 . . . . . . A 40 ILE HD11 . 25856 1 363 . 1 1 40 40 ILE HD12 H 1 0.647 . . . . . . A 40 ILE HD12 . 25856 1 364 . 1 1 40 40 ILE HD13 H 1 0.647 . . . . . . A 40 ILE HD13 . 25856 1 365 . 1 1 40 40 ILE C C 13 176.736 . . . . . . A 40 ILE C . 25856 1 366 . 1 1 40 40 ILE CA C 13 61.757 . . . . . . A 40 ILE CA . 25856 1 367 . 1 1 40 40 ILE CB C 13 37.802 . . . . . . A 40 ILE CB . 25856 1 368 . 1 1 40 40 ILE CG1 C 13 27.938 . . . . . . A 40 ILE CG1 . 25856 1 369 . 1 1 40 40 ILE CG2 C 13 17.681 . . . . . . A 40 ILE CG2 . 25856 1 370 . 1 1 40 40 ILE CD1 C 13 12.353 . . . . . . A 40 ILE CD1 . 25856 1 371 . 1 1 40 40 ILE N N 15 117.925 . . . . . . A 40 ILE N . 25856 1 372 . 1 1 41 41 ARG H H 1 7.912 . . . . . . A 41 ARG H . 25856 1 373 . 1 1 41 41 ARG HA H 1 4.106 . . . . . . A 41 ARG HA . 25856 1 374 . 1 1 41 41 ARG HB2 H 1 1.806 . . . . . . A 41 ARG HB2 . 25856 1 375 . 1 1 41 41 ARG HB3 H 1 1.852 . . . . . . A 41 ARG HB3 . 25856 1 376 . 1 1 41 41 ARG HG3 H 1 1.636 . . . . . . A 41 ARG HG3 . 25856 1 377 . 1 1 41 41 ARG C C 13 177.543 . . . . . . A 41 ARG C . 25856 1 378 . 1 1 41 41 ARG CA C 13 58.036 . . . . . . A 41 ARG CA . 25856 1 379 . 1 1 41 41 ARG CB C 13 30.110 . . . . . . A 41 ARG CB . 25856 1 380 . 1 1 41 41 ARG CG C 13 27.104 . . . . . . A 41 ARG CG . 25856 1 381 . 1 1 41 41 ARG N N 15 122.141 . . . . . . A 41 ARG N . 25856 1 382 . 1 1 42 42 MET H H 1 8.090 . . . . . . A 42 MET H . 25856 1 383 . 1 1 42 42 MET HA H 1 4.281 . . . . . . A 42 MET HA . 25856 1 384 . 1 1 42 42 MET HB2 H 1 2.006 . . . . . . A 42 MET HB2 . 25856 1 385 . 1 1 42 42 MET HB3 H 1 1.981 . . . . . . A 42 MET HB3 . 25856 1 386 . 1 1 42 42 MET HG2 H 1 2.511 . . . . . . A 42 MET HG2 . 25856 1 387 . 1 1 42 42 MET HG3 H 1 2.527 . . . . . . A 42 MET HG3 . 25856 1 388 . 1 1 42 42 MET C C 13 175.862 . . . . . . A 42 MET C . 25856 1 389 . 1 1 42 42 MET CA C 13 56.299 . . . . . . A 42 MET CA . 25856 1 390 . 1 1 42 42 MET CB C 13 32.465 . . . . . . A 42 MET CB . 25856 1 391 . 1 1 42 42 MET CG C 13 32.441 . . . . . . A 42 MET CG . 25856 1 392 . 1 1 42 42 MET N N 15 118.223 . . . . . . A 42 MET N . 25856 1 393 . 1 1 43 43 ASN H H 1 7.843 . . . . . . A 43 ASN H . 25856 1 394 . 1 1 43 43 ASN HA H 1 4.622 . . . . . . A 43 ASN HA . 25856 1 395 . 1 1 43 43 ASN HB2 H 1 2.617 . . . . . . A 43 ASN HB2 . 25856 1 396 . 1 1 43 43 ASN HB3 H 1 2.631 . . . . . . A 43 ASN HB3 . 25856 1 397 . 1 1 43 43 ASN C C 13 174.616 . . . . . . A 43 ASN C . 25856 1 398 . 1 1 43 43 ASN CA C 13 53.276 . . . . . . A 43 ASN CA . 25856 1 399 . 1 1 43 43 ASN CB C 13 38.831 . . . . . . A 43 ASN CB . 25856 1 400 . 1 1 43 43 ASN N N 15 117.020 . . . . . . A 43 ASN N . 25856 1 401 . 1 1 44 44 TYR H H 1 7.712 . . . . . . A 44 TYR H . 25856 1 402 . 1 1 44 44 TYR HA H 1 4.347 . . . . . . A 44 TYR HA . 25856 1 403 . 1 1 44 44 TYR HB2 H 1 2.994 . . . . . . A 44 TYR HB2 . 25856 1 404 . 1 1 44 44 TYR HB3 H 1 3.024 . . . . . . A 44 TYR HB3 . 25856 1 405 . 1 1 44 44 TYR C C 13 175.211 . . . . . . A 44 TYR C . 25856 1 406 . 1 1 44 44 TYR CA C 13 58.652 . . . . . . A 44 TYR CA . 25856 1 407 . 1 1 44 44 TYR CB C 13 37.603 . . . . . . A 44 TYR CB . 25856 1 408 . 1 1 44 44 TYR N N 15 117.998 . . . . . . A 44 TYR N . 25856 1 409 . 1 1 45 45 ILE H H 1 7.466 . . . . . . A 45 ILE H . 25856 1 410 . 1 1 45 45 ILE HA H 1 3.943 . . . . . . A 45 ILE HA . 25856 1 411 . 1 1 45 45 ILE HB H 1 1.731 . . . . . . A 45 ILE HB . 25856 1 412 . 1 1 45 45 ILE HG12 H 1 1.237 . . . . . . A 45 ILE HG12 . 25856 1 413 . 1 1 45 45 ILE HG13 H 1 1.352 . . . . . . A 45 ILE HG13 . 25856 1 414 . 1 1 45 45 ILE HG21 H 1 0.705 . . . . . . A 45 ILE HG21 . 25856 1 415 . 1 1 45 45 ILE HG22 H 1 0.705 . . . . . . A 45 ILE HG22 . 25856 1 416 . 1 1 45 45 ILE HG23 H 1 0.705 . . . . . . A 45 ILE HG23 . 25856 1 417 . 1 1 45 45 ILE HD11 H 1 0.740 . . . . . . A 45 ILE HD11 . 25856 1 418 . 1 1 45 45 ILE HD12 H 1 0.740 . . . . . . A 45 ILE HD12 . 25856 1 419 . 1 1 45 45 ILE HD13 H 1 0.740 . . . . . . A 45 ILE HD13 . 25856 1 420 . 1 1 45 45 ILE C C 13 173.895 . . . . . . A 45 ILE C . 25856 1 421 . 1 1 45 45 ILE CA C 13 61.254 . . . . . . A 45 ILE CA . 25856 1 422 . 1 1 45 45 ILE CB C 13 38.574 . . . . . . A 45 ILE CB . 25856 1 423 . 1 1 45 45 ILE CG1 C 13 27.489 . . . . . . A 45 ILE CG1 . 25856 1 424 . 1 1 45 45 ILE CG2 C 13 17.332 . . . . . . A 45 ILE CG2 . 25856 1 425 . 1 1 45 45 ILE CD1 C 13 12.912 . . . . . . A 45 ILE CD1 . 25856 1 426 . 1 1 45 45 ILE N N 15 120.711 . . . . . . A 45 ILE N . 25856 1 427 . 1 1 46 46 ARG H H 1 8.077 . . . . . . A 46 ARG H . 25856 1 428 . 1 1 46 46 ARG HA H 1 4.384 . . . . . . A 46 ARG HA . 25856 1 429 . 1 1 46 46 ARG HB3 H 1 1.747 . . . . . . A 46 ARG HB3 . 25856 1 430 . 1 1 46 46 ARG C C 13 174.759 . . . . . . A 46 ARG C . 25856 1 431 . 1 1 46 46 ARG CA C 13 55.534 . . . . . . A 46 ARG CA . 25856 1 432 . 1 1 46 46 ARG CB C 13 30.762 . . . . . . A 46 ARG CB . 25856 1 433 . 1 1 46 46 ARG N N 15 124.912 . . . . . . A 46 ARG N . 25856 1 434 . 1 1 47 47 ILE H H 1 7.966 . . . . . . A 47 ILE H . 25856 1 435 . 1 1 47 47 ILE HA H 1 4.024 . . . . . . A 47 ILE HA . 25856 1 436 . 1 1 47 47 ILE HB H 1 1.465 . . . . . . A 47 ILE HB . 25856 1 437 . 1 1 47 47 ILE HG12 H 1 1.210 . . . . . . A 47 ILE HG12 . 25856 1 438 . 1 1 47 47 ILE HG13 H 1 0.613 . . . . . . A 47 ILE HG13 . 25856 1 439 . 1 1 47 47 ILE HG21 H 1 0.192 . . . . . . A 47 ILE HG21 . 25856 1 440 . 1 1 47 47 ILE HG22 H 1 0.192 . . . . . . A 47 ILE HG22 . 25856 1 441 . 1 1 47 47 ILE HG23 H 1 0.192 . . . . . . A 47 ILE HG23 . 25856 1 442 . 1 1 47 47 ILE HD11 H 1 0.303 . . . . . . A 47 ILE HD11 . 25856 1 443 . 1 1 47 47 ILE HD12 H 1 0.303 . . . . . . A 47 ILE HD12 . 25856 1 444 . 1 1 47 47 ILE HD13 H 1 0.303 . . . . . . A 47 ILE HD13 . 25856 1 445 . 1 1 47 47 ILE C C 13 173.922 . . . . . . A 47 ILE C . 25856 1 446 . 1 1 47 47 ILE CA C 13 60.862 . . . . . . A 47 ILE CA . 25856 1 447 . 1 1 47 47 ILE CB C 13 37.726 . . . . . . A 47 ILE CB . 25856 1 448 . 1 1 47 47 ILE CG1 C 13 27.627 . . . . . . A 47 ILE CG1 . 25856 1 449 . 1 1 47 47 ILE CG2 C 13 18.755 . . . . . . A 47 ILE CG2 . 25856 1 450 . 1 1 47 47 ILE CD1 C 13 12.778 . . . . . . A 47 ILE CD1 . 25856 1 451 . 1 1 47 47 ILE N N 15 125.326 . . . . . . A 47 ILE N . 25856 1 452 . 1 1 48 48 LEU H H 1 8.765 . . . . . . A 48 LEU H . 25856 1 453 . 1 1 48 48 LEU HA H 1 4.864 . . . . . . A 48 LEU HA . 25856 1 454 . 1 1 48 48 LEU HB2 H 1 1.486 . . . . . . A 48 LEU HB2 . 25856 1 455 . 1 1 48 48 LEU HB3 H 1 1.469 . . . . . . A 48 LEU HB3 . 25856 1 456 . 1 1 48 48 LEU HG H 1 0.855 . . . . . . A 48 LEU HG . 25856 1 457 . 1 1 48 48 LEU HD11 H 1 0.830 . . . . . . A 48 LEU HD11 . 25856 1 458 . 1 1 48 48 LEU HD12 H 1 0.830 . . . . . . A 48 LEU HD12 . 25856 1 459 . 1 1 48 48 LEU HD13 H 1 0.830 . . . . . . A 48 LEU HD13 . 25856 1 460 . 1 1 48 48 LEU HD21 H 1 0.801 . . . . . . A 48 LEU HD21 . 25856 1 461 . 1 1 48 48 LEU HD22 H 1 0.801 . . . . . . A 48 LEU HD22 . 25856 1 462 . 1 1 48 48 LEU HD23 H 1 0.801 . . . . . . A 48 LEU HD23 . 25856 1 463 . 1 1 48 48 LEU C C 13 174.217 . . . . . . A 48 LEU C . 25856 1 464 . 1 1 48 48 LEU CA C 13 51.715 . . . . . . A 48 LEU CA . 25856 1 465 . 1 1 48 48 LEU CB C 13 43.523 . . . . . . A 48 LEU CB . 25856 1 466 . 1 1 48 48 LEU CG C 13 25.467 . . . . . . A 48 LEU CG . 25856 1 467 . 1 1 48 48 LEU CD1 C 13 23.044 . . . . . . A 48 LEU CD1 . 25856 1 468 . 1 1 48 48 LEU CD2 C 13 22.886 . . . . . . A 48 LEU CD2 . 25856 1 469 . 1 1 48 48 LEU N N 15 128.989 . . . . . . A 48 LEU N . 25856 1 470 . 1 1 49 49 PRO HA H 1 3.858 . . . . . . A 49 PRO HA . 25856 1 471 . 1 1 49 49 PRO HB2 H 1 1.836 . . . . . . A 49 PRO HB2 . 25856 1 472 . 1 1 49 49 PRO HG3 H 1 1.716 . . . . . . A 49 PRO HG3 . 25856 1 473 . 1 1 49 49 PRO HD3 H 1 3.572 . . . . . . A 49 PRO HD3 . 25856 1 474 . 1 1 49 49 PRO C C 13 176.960 . . . . . . A 49 PRO C . 25856 1 475 . 1 1 49 49 PRO CA C 13 63.941 . . . . . . A 49 PRO CA . 25856 1 476 . 1 1 49 49 PRO CB C 13 31.256 . . . . . . A 49 PRO CB . 25856 1 477 . 1 1 49 49 PRO CG C 13 29.027 . . . . . . A 49 PRO CG . 25856 1 478 . 1 1 49 49 PRO CD C 13 50.849 . . . . . . A 49 PRO CD . 25856 1 479 . 1 1 50 50 GLY H H 1 9.317 . . . . . . A 50 GLY H . 25856 1 480 . 1 1 50 50 GLY HA2 H 1 4.418 . . . . . . A 50 GLY HA2 . 25856 1 481 . 1 1 50 50 GLY HA3 H 1 4.431 . . . . . . A 50 GLY HA3 . 25856 1 482 . 1 1 50 50 GLY C C 13 174.448 . . . . . . A 50 GLY C . 25856 1 483 . 1 1 50 50 GLY CA C 13 44.707 . . . . . . A 50 GLY CA . 25856 1 484 . 1 1 50 50 GLY N N 15 114.638 . . . . . . A 50 GLY N . 25856 1 485 . 1 1 51 51 ASP H H 1 8.099 . . . . . . A 51 ASP H . 25856 1 486 . 1 1 51 51 ASP HA H 1 4.533 . . . . . . A 51 ASP HA . 25856 1 487 . 1 1 51 51 ASP HB2 H 1 2.357 . . . . . . A 51 ASP HB2 . 25856 1 488 . 1 1 51 51 ASP HB3 H 1 2.723 . . . . . . A 51 ASP HB3 . 25856 1 489 . 1 1 51 51 ASP C C 13 175.327 . . . . . . A 51 ASP C . 25856 1 490 . 1 1 51 51 ASP CA C 13 55.393 . . . . . . A 51 ASP CA . 25856 1 491 . 1 1 51 51 ASP CB C 13 41.197 . . . . . . A 51 ASP CB . 25856 1 492 . 1 1 51 51 ASP N N 15 121.882 . . . . . . A 51 ASP N . 25856 1 493 . 1 1 52 52 LYS H H 1 8.410 . . . . . . A 52 LYS H . 25856 1 494 . 1 1 52 52 LYS HA H 1 5.087 . . . . . . A 52 LYS HA . 25856 1 495 . 1 1 52 52 LYS C C 13 176.315 . . . . . . A 52 LYS C . 25856 1 496 . 1 1 52 52 LYS CA C 13 54.652 . . . . . . A 52 LYS CA . 25856 1 497 . 1 1 52 52 LYS CB C 13 32.597 . . . . . . A 52 LYS CB . 25856 1 498 . 1 1 52 52 LYS N N 15 121.338 . . . . . . A 52 LYS N . 25856 1 499 . 1 1 53 53 VAL H H 1 8.693 . . . . . . A 53 VAL H . 25856 1 500 . 1 1 53 53 VAL HA H 1 5.250 . . . . . . A 53 VAL HA . 25856 1 501 . 1 1 53 53 VAL HB H 1 2.190 . . . . . . A 53 VAL HB . 25856 1 502 . 1 1 53 53 VAL HG11 H 1 0.612 . . . . . . A 53 VAL HG11 . 25856 1 503 . 1 1 53 53 VAL HG12 H 1 0.612 . . . . . . A 53 VAL HG12 . 25856 1 504 . 1 1 53 53 VAL HG13 H 1 0.612 . . . . . . A 53 VAL HG13 . 25856 1 505 . 1 1 53 53 VAL HG21 H 1 0.364 . . . . . . A 53 VAL HG21 . 25856 1 506 . 1 1 53 53 VAL HG22 H 1 0.364 . . . . . . A 53 VAL HG22 . 25856 1 507 . 1 1 53 53 VAL HG23 H 1 0.364 . . . . . . A 53 VAL HG23 . 25856 1 508 . 1 1 53 53 VAL C C 13 174.278 . . . . . . A 53 VAL C . 25856 1 509 . 1 1 53 53 VAL CA C 13 57.980 . . . . . . A 53 VAL CA . 25856 1 510 . 1 1 53 53 VAL CB C 13 36.262 . . . . . . A 53 VAL CB . 25856 1 511 . 1 1 53 53 VAL CG1 C 13 22.312 . . . . . . A 53 VAL CG1 . 25856 1 512 . 1 1 53 53 VAL CG2 C 13 17.740 . . . . . . A 53 VAL CG2 . 25856 1 513 . 1 1 53 53 VAL N N 15 114.761 . . . . . . A 53 VAL N . 25856 1 514 . 1 1 54 54 THR H H 1 8.296 . . . . . . A 54 THR H . 25856 1 515 . 1 1 54 54 THR HA H 1 4.837 . . . . . . A 54 THR HA . 25856 1 516 . 1 1 54 54 THR HB H 1 3.874 . . . . . . A 54 THR HB . 25856 1 517 . 1 1 54 54 THR HG21 H 1 1.101 . . . . . . A 54 THR HG21 . 25856 1 518 . 1 1 54 54 THR HG22 H 1 1.101 . . . . . . A 54 THR HG22 . 25856 1 519 . 1 1 54 54 THR HG23 H 1 1.101 . . . . . . A 54 THR HG23 . 25856 1 520 . 1 1 54 54 THR C C 13 173.923 . . . . . . A 54 THR C . 25856 1 521 . 1 1 54 54 THR CA C 13 62.448 . . . . . . A 54 THR CA . 25856 1 522 . 1 1 54 54 THR CB C 13 69.891 . . . . . . A 54 THR CB . 25856 1 523 . 1 1 54 54 THR CG2 C 13 23.004 . . . . . . A 54 THR CG2 . 25856 1 524 . 1 1 54 54 THR N N 15 117.231 . . . . . . A 54 THR N . 25856 1 525 . 1 1 55 55 VAL H H 1 9.331 . . . . . . A 55 VAL H . 25856 1 526 . 1 1 55 55 VAL HA H 1 4.832 . . . . . . A 55 VAL HA . 25856 1 527 . 1 1 55 55 VAL HB H 1 1.699 . . . . . . A 55 VAL HB . 25856 1 528 . 1 1 55 55 VAL HG11 H 1 0.575 . . . . . . A 55 VAL HG11 . 25856 1 529 . 1 1 55 55 VAL HG12 H 1 0.575 . . . . . . A 55 VAL HG12 . 25856 1 530 . 1 1 55 55 VAL HG13 H 1 0.575 . . . . . . A 55 VAL HG13 . 25856 1 531 . 1 1 55 55 VAL HG21 H 1 0.583 . . . . . . A 55 VAL HG21 . 25856 1 532 . 1 1 55 55 VAL HG22 H 1 0.583 . . . . . . A 55 VAL HG22 . 25856 1 533 . 1 1 55 55 VAL HG23 H 1 0.583 . . . . . . A 55 VAL HG23 . 25856 1 534 . 1 1 55 55 VAL C C 13 174.106 . . . . . . A 55 VAL C . 25856 1 535 . 1 1 55 55 VAL CA C 13 59.551 . . . . . . A 55 VAL CA . 25856 1 536 . 1 1 55 55 VAL CB C 13 34.576 . . . . . . A 55 VAL CB . 25856 1 537 . 1 1 55 55 VAL CG1 C 13 22.315 . . . . . . A 55 VAL CG1 . 25856 1 538 . 1 1 55 55 VAL CG2 C 13 21.490 . . . . . . A 55 VAL CG2 . 25856 1 539 . 1 1 55 55 VAL N N 15 124.203 . . . . . . A 55 VAL N . 25856 1 540 . 1 1 56 56 GLU H H 1 9.143 . . . . . . A 56 GLU H . 25856 1 541 . 1 1 56 56 GLU HA H 1 5.220 . . . . . . A 56 GLU HA . 25856 1 542 . 1 1 56 56 GLU HB2 H 1 1.804 . . . . . . A 56 GLU HB2 . 25856 1 543 . 1 1 56 56 GLU HB3 H 1 1.895 . . . . . . A 56 GLU HB3 . 25856 1 544 . 1 1 56 56 GLU HG2 H 1 2.260 . . . . . . A 56 GLU HG2 . 25856 1 545 . 1 1 56 56 GLU HG3 H 1 2.249 . . . . . . A 56 GLU HG3 . 25856 1 546 . 1 1 56 56 GLU C C 13 176.645 . . . . . . A 56 GLU C . 25856 1 547 . 1 1 56 56 GLU CA C 13 54.402 . . . . . . A 56 GLU CA . 25856 1 548 . 1 1 56 56 GLU CB C 13 32.700 . . . . . . A 56 GLU CB . 25856 1 549 . 1 1 56 56 GLU CG C 13 37.380 . . . . . . A 56 GLU CG . 25856 1 550 . 1 1 56 56 GLU N N 15 123.984 . . . . . . A 56 GLU N . 25856 1 551 . 1 1 57 57 MET H H 1 9.173 . . . . . . A 57 MET H . 25856 1 552 . 1 1 57 57 MET HA H 1 4.795 . . . . . . A 57 MET HA . 25856 1 553 . 1 1 57 57 MET HB2 H 1 2.186 . . . . . . A 57 MET HB2 . 25856 1 554 . 1 1 57 57 MET HB3 H 1 1.789 . . . . . . A 57 MET HB3 . 25856 1 555 . 1 1 57 57 MET HG3 H 1 2.486 . . . . . . A 57 MET HG3 . 25856 1 556 . 1 1 57 57 MET HE1 H 1 1.895 . . . . . . A 57 MET HE1 . 25856 1 557 . 1 1 57 57 MET HE2 H 1 1.895 . . . . . . A 57 MET HE2 . 25856 1 558 . 1 1 57 57 MET HE3 H 1 1.895 . . . . . . A 57 MET HE3 . 25856 1 559 . 1 1 57 57 MET C C 13 174.899 . . . . . . A 57 MET C . 25856 1 560 . 1 1 57 57 MET CA C 13 54.339 . . . . . . A 57 MET CA . 25856 1 561 . 1 1 57 57 MET CB C 13 36.252 . . . . . . A 57 MET CB . 25856 1 562 . 1 1 57 57 MET CG C 13 31.495 . . . . . . A 57 MET CG . 25856 1 563 . 1 1 57 57 MET CE C 13 16.984 . . . . . . A 57 MET CE . 25856 1 564 . 1 1 57 57 MET N N 15 123.465 . . . . . . A 57 MET N . 25856 1 565 . 1 1 58 58 SER H H 1 9.184 . . . . . . A 58 SER H . 25856 1 566 . 1 1 58 58 SER HA H 1 5.039 . . . . . . A 58 SER HA . 25856 1 567 . 1 1 58 58 SER HB2 H 1 4.024 . . . . . . A 58 SER HB2 . 25856 1 568 . 1 1 58 58 SER HB3 H 1 3.803 . . . . . . A 58 SER HB3 . 25856 1 569 . 1 1 58 58 SER C C 13 174.693 . . . . . . A 58 SER C . 25856 1 570 . 1 1 58 58 SER CA C 13 54.932 . . . . . . A 58 SER CA . 25856 1 571 . 1 1 58 58 SER CB C 13 64.587 . . . . . . A 58 SER CB . 25856 1 572 . 1 1 58 58 SER N N 15 117.390 . . . . . . A 58 SER N . 25856 1 573 . 1 1 59 59 PRO HA H 1 4.106 . . . . . . A 59 PRO HA . 25856 1 574 . 1 1 59 59 PRO HB2 H 1 2.319 . . . . . . A 59 PRO HB2 . 25856 1 575 . 1 1 59 59 PRO HB3 H 1 1.403 . . . . . . A 59 PRO HB3 . 25856 1 576 . 1 1 59 59 PRO HG3 H 1 1.543 . . . . . . A 59 PRO HG3 . 25856 1 577 . 1 1 59 59 PRO HD3 H 1 3.665 . . . . . . A 59 PRO HD3 . 25856 1 578 . 1 1 59 59 PRO C C 13 176.290 . . . . . . A 59 PRO C . 25856 1 579 . 1 1 59 59 PRO CA C 13 63.853 . . . . . . A 59 PRO CA . 25856 1 580 . 1 1 59 59 PRO CB C 13 31.766 . . . . . . A 59 PRO CB . 25856 1 581 . 1 1 59 59 PRO CG C 13 27.075 . . . . . . A 59 PRO CG . 25856 1 582 . 1 1 59 59 PRO CD C 13 50.972 . . . . . . A 59 PRO CD . 25856 1 583 . 1 1 60 60 TYR H H 1 7.307 . . . . . . A 60 TYR H . 25856 1 584 . 1 1 60 60 TYR HA H 1 4.489 . . . . . . A 60 TYR HA . 25856 1 585 . 1 1 60 60 TYR HB2 H 1 3.261 . . . . . . A 60 TYR HB2 . 25856 1 586 . 1 1 60 60 TYR HB3 H 1 2.736 . . . . . . A 60 TYR HB3 . 25856 1 587 . 1 1 60 60 TYR C C 13 175.439 . . . . . . A 60 TYR C . 25856 1 588 . 1 1 60 60 TYR CA C 13 57.342 . . . . . . A 60 TYR CA . 25856 1 589 . 1 1 60 60 TYR CB C 13 38.293 . . . . . . A 60 TYR CB . 25856 1 590 . 1 1 60 60 TYR N N 15 113.938 . . . . . . A 60 TYR N . 25856 1 591 . 1 1 61 61 ASP H H 1 7.418 . . . . . . A 61 ASP H . 25856 1 592 . 1 1 61 61 ASP HA H 1 4.767 . . . . . . A 61 ASP HA . 25856 1 593 . 1 1 61 61 ASP HB2 H 1 2.593 . . . . . . A 61 ASP HB2 . 25856 1 594 . 1 1 61 61 ASP HB3 H 1 2.765 . . . . . . A 61 ASP HB3 . 25856 1 595 . 1 1 61 61 ASP C C 13 174.996 . . . . . . A 61 ASP C . 25856 1 596 . 1 1 61 61 ASP CA C 13 53.842 . . . . . . A 61 ASP CA . 25856 1 597 . 1 1 61 61 ASP CB C 13 41.422 . . . . . . A 61 ASP CB . 25856 1 598 . 1 1 61 61 ASP N N 15 118.283 . . . . . . A 61 ASP N . 25856 1 599 . 1 1 62 62 LEU H H 1 8.743 . . . . . . A 62 LEU H . 25856 1 600 . 1 1 62 62 LEU HA H 1 4.487 . . . . . . A 62 LEU HA . 25856 1 601 . 1 1 62 62 LEU HB2 H 1 1.593 . . . . . . A 62 LEU HB2 . 25856 1 602 . 1 1 62 62 LEU HB3 H 1 1.609 . . . . . . A 62 LEU HB3 . 25856 1 603 . 1 1 62 62 LEU HD11 H 1 0.782 . . . . . . A 62 LEU HD11 . 25856 1 604 . 1 1 62 62 LEU HD12 H 1 0.782 . . . . . . A 62 LEU HD12 . 25856 1 605 . 1 1 62 62 LEU HD13 H 1 0.782 . . . . . . A 62 LEU HD13 . 25856 1 606 . 1 1 62 62 LEU C C 13 177.109 . . . . . . A 62 LEU C . 25856 1 607 . 1 1 62 62 LEU CA C 13 55.230 . . . . . . A 62 LEU CA . 25856 1 608 . 1 1 62 62 LEU CB C 13 40.930 . . . . . . A 62 LEU CB . 25856 1 609 . 1 1 62 62 LEU CG C 13 25.315 . . . . . . A 62 LEU CG . 25856 1 610 . 1 1 62 62 LEU CD1 C 13 23.226 . . . . . . A 62 LEU CD1 . 25856 1 611 . 1 1 62 62 LEU N N 15 124.044 . . . . . . A 62 LEU N . 25856 1 612 . 1 1 63 63 THR H H 1 8.415 . . . . . . A 63 THR H . 25856 1 613 . 1 1 63 63 THR HA H 1 4.608 . . . . . . A 63 THR HA . 25856 1 614 . 1 1 63 63 THR HB H 1 4.450 . . . . . . A 63 THR HB . 25856 1 615 . 1 1 63 63 THR HG21 H 1 1.229 . . . . . . A 63 THR HG21 . 25856 1 616 . 1 1 63 63 THR HG22 H 1 1.229 . . . . . . A 63 THR HG22 . 25856 1 617 . 1 1 63 63 THR HG23 H 1 1.229 . . . . . . A 63 THR HG23 . 25856 1 618 . 1 1 63 63 THR C C 13 174.873 . . . . . . A 63 THR C . 25856 1 619 . 1 1 63 63 THR CA C 13 62.686 . . . . . . A 63 THR CA . 25856 1 620 . 1 1 63 63 THR CB C 13 70.393 . . . . . . A 63 THR CB . 25856 1 621 . 1 1 63 63 THR CG2 C 13 21.744 . . . . . . A 63 THR CG2 . 25856 1 622 . 1 1 63 63 THR N N 15 107.624 . . . . . . A 63 THR N . 25856 1 623 . 1 1 64 64 ARG H H 1 7.200 . . . . . . A 64 ARG H . 25856 1 624 . 1 1 64 64 ARG HA H 1 5.619 . . . . . . A 64 ARG HA . 25856 1 625 . 1 1 64 64 ARG HB2 H 1 1.767 . . . . . . A 64 ARG HB2 . 25856 1 626 . 1 1 64 64 ARG HB3 H 1 1.931 . . . . . . A 64 ARG HB3 . 25856 1 627 . 1 1 64 64 ARG HG3 H 1 1.714 . . . . . . A 64 ARG HG3 . 25856 1 628 . 1 1 64 64 ARG HD2 H 1 3.222 . . . . . . A 64 ARG HD2 . 25856 1 629 . 1 1 64 64 ARG HD3 H 1 3.220 . . . . . . A 64 ARG HD3 . 25856 1 630 . 1 1 64 64 ARG C C 13 174.858 . . . . . . A 64 ARG C . 25856 1 631 . 1 1 64 64 ARG CA C 13 54.218 . . . . . . A 64 ARG CA . 25856 1 632 . 1 1 64 64 ARG CB C 13 34.526 . . . . . . A 64 ARG CB . 25856 1 633 . 1 1 64 64 ARG CG C 13 26.952 . . . . . . A 64 ARG CG . 25856 1 634 . 1 1 64 64 ARG CD C 13 43.624 . . . . . . A 64 ARG CD . 25856 1 635 . 1 1 64 64 ARG N N 15 120.138 . . . . . . A 64 ARG N . 25856 1 636 . 1 1 65 65 GLY H H 1 8.618 . . . . . . A 65 GLY H . 25856 1 637 . 1 1 65 65 GLY HA2 H 1 4.688 . . . . . . A 65 GLY HA2 . 25856 1 638 . 1 1 65 65 GLY HA3 H 1 4.690 . . . . . . A 65 GLY HA3 . 25856 1 639 . 1 1 65 65 GLY C C 13 171.075 . . . . . . A 65 GLY C . 25856 1 640 . 1 1 65 65 GLY CA C 13 45.353 . . . . . . A 65 GLY CA . 25856 1 641 . 1 1 65 65 GLY N N 15 106.034 . . . . . . A 65 GLY N . 25856 1 642 . 1 1 66 66 ARG H H 1 8.621 . . . . . . A 66 ARG H . 25856 1 643 . 1 1 66 66 ARG HA H 1 4.986 . . . . . . A 66 ARG HA . 25856 1 644 . 1 1 66 66 ARG HB3 H 1 1.520 . . . . . . A 66 ARG HB3 . 25856 1 645 . 1 1 66 66 ARG C C 13 175.345 . . . . . . A 66 ARG C . 25856 1 646 . 1 1 66 66 ARG CA C 13 53.691 . . . . . . A 66 ARG CA . 25856 1 647 . 1 1 66 66 ARG CB C 13 33.411 . . . . . . A 66 ARG CB . 25856 1 648 . 1 1 66 66 ARG CG C 13 27.240 . . . . . . A 66 ARG CG . 25856 1 649 . 1 1 66 66 ARG CD C 13 43.638 . . . . . . A 66 ARG CD . 25856 1 650 . 1 1 66 66 ARG N N 15 118.635 . . . . . . A 66 ARG N . 25856 1 651 . 1 1 67 67 ILE H H 1 9.083 . . . . . . A 67 ILE H . 25856 1 652 . 1 1 67 67 ILE HA H 1 4.402 . . . . . . A 67 ILE HA . 25856 1 653 . 1 1 67 67 ILE HB H 1 1.473 . . . . . . A 67 ILE HB . 25856 1 654 . 1 1 67 67 ILE HG12 H 1 1.446 . . . . . . A 67 ILE HG12 . 25856 1 655 . 1 1 67 67 ILE HG13 H 1 1.074 . . . . . . A 67 ILE HG13 . 25856 1 656 . 1 1 67 67 ILE HG21 H 1 0.627 . . . . . . A 67 ILE HG21 . 25856 1 657 . 1 1 67 67 ILE HG22 H 1 0.627 . . . . . . A 67 ILE HG22 . 25856 1 658 . 1 1 67 67 ILE HG23 H 1 0.627 . . . . . . A 67 ILE HG23 . 25856 1 659 . 1 1 67 67 ILE HD11 H 1 0.293 . . . . . . A 67 ILE HD11 . 25856 1 660 . 1 1 67 67 ILE HD12 H 1 0.293 . . . . . . A 67 ILE HD12 . 25856 1 661 . 1 1 67 67 ILE HD13 H 1 0.293 . . . . . . A 67 ILE HD13 . 25856 1 662 . 1 1 67 67 ILE C C 13 176.084 . . . . . . A 67 ILE C . 25856 1 663 . 1 1 67 67 ILE CA C 13 62.299 . . . . . . A 67 ILE CA . 25856 1 664 . 1 1 67 67 ILE CB C 13 39.359 . . . . . . A 67 ILE CB . 25856 1 665 . 1 1 67 67 ILE CG1 C 13 28.774 . . . . . . A 67 ILE CG1 . 25856 1 666 . 1 1 67 67 ILE CG2 C 13 16.653 . . . . . . A 67 ILE CG2 . 25856 1 667 . 1 1 67 67 ILE CD1 C 13 14.048 . . . . . . A 67 ILE CD1 . 25856 1 668 . 1 1 67 67 ILE N N 15 125.220 . . . . . . A 67 ILE N . 25856 1 669 . 1 1 68 68 THR H H 1 8.691 . . . . . . A 68 THR H . 25856 1 670 . 1 1 68 68 THR HA H 1 4.435 . . . . . . A 68 THR HA . 25856 1 671 . 1 1 68 68 THR HB H 1 4.211 . . . . . . A 68 THR HB . 25856 1 672 . 1 1 68 68 THR HG21 H 1 1.025 . . . . . . A 68 THR HG21 . 25856 1 673 . 1 1 68 68 THR HG22 H 1 1.025 . . . . . . A 68 THR HG22 . 25856 1 674 . 1 1 68 68 THR HG23 H 1 1.025 . . . . . . A 68 THR HG23 . 25856 1 675 . 1 1 68 68 THR C C 13 174.406 . . . . . . A 68 THR C . 25856 1 676 . 1 1 68 68 THR CA C 13 61.164 . . . . . . A 68 THR CA . 25856 1 677 . 1 1 68 68 THR CB C 13 69.514 . . . . . . A 68 THR CB . 25856 1 678 . 1 1 68 68 THR CG2 C 13 22.564 . . . . . . A 68 THR CG2 . 25856 1 679 . 1 1 68 68 THR N N 15 117.584 . . . . . . A 68 THR N . 25856 1 680 . 1 1 69 69 TYR H H 1 7.479 . . . . . . A 69 TYR H . 25856 1 681 . 1 1 69 69 TYR HA H 1 4.353 . . . . . . A 69 TYR HA . 25856 1 682 . 1 1 69 69 TYR HB2 H 1 2.592 . . . . . . A 69 TYR HB2 . 25856 1 683 . 1 1 69 69 TYR HB3 H 1 2.578 . . . . . . A 69 TYR HB3 . 25856 1 684 . 1 1 69 69 TYR C C 13 172.657 . . . . . . A 69 TYR C . 25856 1 685 . 1 1 69 69 TYR CA C 13 58.734 . . . . . . A 69 TYR CA . 25856 1 686 . 1 1 69 69 TYR CB C 13 41.431 . . . . . . A 69 TYR CB . 25856 1 687 . 1 1 69 69 TYR N N 15 120.904 . . . . . . A 69 TYR N . 25856 1 688 . 1 1 70 70 ARG H H 1 7.439 . . . . . . A 70 ARG H . 25856 1 689 . 1 1 70 70 ARG HA H 1 4.691 . . . . . . A 70 ARG HA . 25856 1 690 . 1 1 70 70 ARG HB2 H 1 1.224 . . . . . . A 70 ARG HB2 . 25856 1 691 . 1 1 70 70 ARG HB3 H 1 1.352 . . . . . . A 70 ARG HB3 . 25856 1 692 . 1 1 70 70 ARG C C 13 174.016 . . . . . . A 70 ARG C . 25856 1 693 . 1 1 70 70 ARG CA C 13 54.661 . . . . . . A 70 ARG CA . 25856 1 694 . 1 1 70 70 ARG CB C 13 31.816 . . . . . . A 70 ARG CB . 25856 1 695 . 1 1 70 70 ARG N N 15 125.781 . . . . . . A 70 ARG N . 25856 1 696 . 1 1 71 71 TYR H H 1 8.478 . . . . . . A 71 TYR H . 25856 1 697 . 1 1 71 71 TYR HA H 1 4.251 . . . . . . A 71 TYR HA . 25856 1 698 . 1 1 71 71 TYR HB2 H 1 2.862 . . . . . . A 71 TYR HB2 . 25856 1 699 . 1 1 71 71 TYR HB3 H 1 2.870 . . . . . . A 71 TYR HB3 . 25856 1 700 . 1 1 71 71 TYR C C 13 175.278 . . . . . . A 71 TYR C . 25856 1 701 . 1 1 71 71 TYR CA C 13 58.445 . . . . . . A 71 TYR CA . 25856 1 702 . 1 1 71 71 TYR CB C 13 38.803 . . . . . . A 71 TYR CB . 25856 1 703 . 1 1 71 71 TYR N N 15 124.942 . . . . . . A 71 TYR N . 25856 1 704 . 1 1 72 72 LYS H H 1 8.345 . . . . . . A 72 LYS H . 25856 1 705 . 1 1 72 72 LYS HA H 1 4.273 . . . . . . A 72 LYS HA . 25856 1 706 . 1 1 72 72 LYS HB3 H 1 1.701 . . . . . . A 72 LYS HB3 . 25856 1 707 . 1 1 72 72 LYS HG3 H 1 1.362 . . . . . . A 72 LYS HG3 . 25856 1 708 . 1 1 72 72 LYS HE3 H 1 2.884 . . . . . . A 72 LYS HE3 . 25856 1 709 . 1 1 72 72 LYS C C 13 176.160 . . . . . . A 72 LYS C . 25856 1 710 . 1 1 72 72 LYS CA C 13 56.871 . . . . . . A 72 LYS CA . 25856 1 711 . 1 1 72 72 LYS CB C 13 33.171 . . . . . . A 72 LYS CB . 25856 1 712 . 1 1 72 72 LYS N N 15 122.035 . . . . . . A 72 LYS N . 25856 1 stop_ save_