data_25328 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25328 _Entry.Title ; Backbone assignment of the homodimer HUA2 from E.coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-11-12 _Entry.Accession_date 2014-11-12 _Entry.Last_release_date 2015-05-19 _Entry.Original_release_date 2015-05-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.99 _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 Remy 'Le Meur' . . . . 25328 2 Bertrand Castaing . . . . 25328 3 Celine Landon . . . . 25328 4 Karine Loth . . . . 25328 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25328 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 254 25328 '15N chemical shifts' 86 25328 '1H chemical shifts' 86 25328 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 . . 2016-03-10 2014-11-12 update BMRB 'update entry citation' 25328 1 . . 2015-05-19 2014-11-12 original author 'original release' 25328 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25329 HUB2 25328 BMRB 25330 HUAB 25328 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25328 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25924603 _Citation.Full_citation . _Citation.Title ; Backbone assignment of the three dimers of HU from Escherichia coli at 293 K: EcHUalpha2, EcHUbeta2 2 and EcHUalphabeta2 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 359 _Citation.Page_last 363 _Citation.Year 2015 _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 Remy 'Le Meur' . . . . 25328 1 2 Bertrand Castaing . . . . 25328 1 3 Celine Landon . . . . 25328 1 4 Karine Loth . . . . 25328 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID E.coli 25328 1 HU 25328 1 Histone-like 25328 1 Homodimer 25328 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25328 _Assembly.ID 1 _Assembly.Name HUA2 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'HUA2, chain 1' 1 $entity A . yes native no no . . . 25328 1 2 'HUA2, chain 2' 1 $entity A . yes native no no . . . 25328 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1MUL . . X-ray . . . 25328 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25328 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HUA2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MNKTQLIDVIAEKAELSKTQ AKAALESTLAAITESLKEGD AVQLVGFGTFKVNHRAERTG RNPQTGKEIKIAAANVPAFV SGKALKDAVK ; _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 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 25328 1 2 . ASN . 25328 1 3 . LYS . 25328 1 4 . THR . 25328 1 5 . GLN . 25328 1 6 . LEU . 25328 1 7 . ILE . 25328 1 8 . ASP . 25328 1 9 . VAL . 25328 1 10 . ILE . 25328 1 11 . ALA . 25328 1 12 . GLU . 25328 1 13 . LYS . 25328 1 14 . ALA . 25328 1 15 . GLU . 25328 1 16 . LEU . 25328 1 17 . SER . 25328 1 18 . LYS . 25328 1 19 . THR . 25328 1 20 . GLN . 25328 1 21 . ALA . 25328 1 22 . LYS . 25328 1 23 . ALA . 25328 1 24 . ALA . 25328 1 25 . LEU . 25328 1 26 . GLU . 25328 1 27 . SER . 25328 1 28 . THR . 25328 1 29 . LEU . 25328 1 30 . ALA . 25328 1 31 . ALA . 25328 1 32 . ILE . 25328 1 33 . THR . 25328 1 34 . GLU . 25328 1 35 . SER . 25328 1 36 . LEU . 25328 1 37 . LYS . 25328 1 38 . GLU . 25328 1 39 . GLY . 25328 1 40 . ASP . 25328 1 41 . ALA . 25328 1 42 . VAL . 25328 1 43 . GLN . 25328 1 44 . LEU . 25328 1 45 . VAL . 25328 1 46 . GLY . 25328 1 47 . PHE . 25328 1 48 . GLY . 25328 1 49 . THR . 25328 1 50 . PHE . 25328 1 51 . LYS . 25328 1 52 . VAL . 25328 1 53 . ASN . 25328 1 54 . HIS . 25328 1 55 . ARG . 25328 1 56 . ALA . 25328 1 57 . GLU . 25328 1 58 . ARG . 25328 1 59 . THR . 25328 1 60 . GLY . 25328 1 61 . ARG . 25328 1 62 . ASN . 25328 1 63 . PRO . 25328 1 64 . GLN . 25328 1 65 . THR . 25328 1 66 . GLY . 25328 1 67 . LYS . 25328 1 68 . GLU . 25328 1 69 . ILE . 25328 1 70 . LYS . 25328 1 71 . ILE . 25328 1 72 . ALA . 25328 1 73 . ALA . 25328 1 74 . ALA . 25328 1 75 . ASN . 25328 1 76 . VAL . 25328 1 77 . PRO . 25328 1 78 . ALA . 25328 1 79 . PHE . 25328 1 80 . VAL . 25328 1 81 . SER . 25328 1 82 . GLY . 25328 1 83 . LYS . 25328 1 84 . ALA . 25328 1 85 . LEU . 25328 1 86 . LYS . 25328 1 87 . ASP . 25328 1 88 . ALA . 25328 1 89 . VAL . 25328 1 90 . LYS . 25328 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 25328 1 . ASN 2 2 25328 1 . LYS 3 3 25328 1 . THR 4 4 25328 1 . GLN 5 5 25328 1 . LEU 6 6 25328 1 . ILE 7 7 25328 1 . ASP 8 8 25328 1 . VAL 9 9 25328 1 . ILE 10 10 25328 1 . ALA 11 11 25328 1 . GLU 12 12 25328 1 . LYS 13 13 25328 1 . ALA 14 14 25328 1 . GLU 15 15 25328 1 . LEU 16 16 25328 1 . SER 17 17 25328 1 . LYS 18 18 25328 1 . THR 19 19 25328 1 . GLN 20 20 25328 1 . ALA 21 21 25328 1 . LYS 22 22 25328 1 . ALA 23 23 25328 1 . ALA 24 24 25328 1 . LEU 25 25 25328 1 . GLU 26 26 25328 1 . SER 27 27 25328 1 . THR 28 28 25328 1 . LEU 29 29 25328 1 . ALA 30 30 25328 1 . ALA 31 31 25328 1 . ILE 32 32 25328 1 . THR 33 33 25328 1 . GLU 34 34 25328 1 . SER 35 35 25328 1 . LEU 36 36 25328 1 . LYS 37 37 25328 1 . GLU 38 38 25328 1 . GLY 39 39 25328 1 . ASP 40 40 25328 1 . ALA 41 41 25328 1 . VAL 42 42 25328 1 . GLN 43 43 25328 1 . LEU 44 44 25328 1 . VAL 45 45 25328 1 . GLY 46 46 25328 1 . PHE 47 47 25328 1 . GLY 48 48 25328 1 . THR 49 49 25328 1 . PHE 50 50 25328 1 . LYS 51 51 25328 1 . VAL 52 52 25328 1 . ASN 53 53 25328 1 . HIS 54 54 25328 1 . ARG 55 55 25328 1 . ALA 56 56 25328 1 . GLU 57 57 25328 1 . ARG 58 58 25328 1 . THR 59 59 25328 1 . GLY 60 60 25328 1 . ARG 61 61 25328 1 . ASN 62 62 25328 1 . PRO 63 63 25328 1 . GLN 64 64 25328 1 . THR 65 65 25328 1 . GLY 66 66 25328 1 . LYS 67 67 25328 1 . GLU 68 68 25328 1 . ILE 69 69 25328 1 . LYS 70 70 25328 1 . ILE 71 71 25328 1 . ALA 72 72 25328 1 . ALA 73 73 25328 1 . ALA 74 74 25328 1 . ASN 75 75 25328 1 . VAL 76 76 25328 1 . PRO 77 77 25328 1 . ALA 78 78 25328 1 . PHE 79 79 25328 1 . VAL 80 80 25328 1 . SER 81 81 25328 1 . GLY 82 82 25328 1 . LYS 83 83 25328 1 . ALA 84 84 25328 1 . LEU 85 85 25328 1 . LYS 86 86 25328 1 . ASP 87 87 25328 1 . ALA 88 88 25328 1 . VAL 89 89 25328 1 . LYS 90 90 25328 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 25328 _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 . 562 organism . 'Escherichia coli' E.coli . . Bacteria . Escherichia coli . . . . . . . . . . . . . 25328 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 25328 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pJES-hupA . . . 25328 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25328 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 HUA2 '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 1 . . mM . . . . 25328 1 2 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 25328 1 3 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25328 1 4 DTT 'natural abundance' . . . . . . 0.05 . . mM . . . . 25328 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25328 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25328 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 25328 _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' 0.22 . M 25328 1 pH 7.5 . pH 25328 1 pressure 1 . atm 25328 1 temperature 293 . K 25328 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 25328 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 25328 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25328 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25328 _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' . . 25328 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25328 2 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 25328 _Software.ID 3 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25328 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25328 3 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 25328 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 25328 _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 Varian INOVA . 600 . . . 25328 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 25328 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25328 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25328 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25328 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25328 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25328 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25328 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 25328 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25328 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25328 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25328 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 25328 _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 '2D 1H-15N HSQC' . . . 25328 1 2 '3D HNCO' . . . 25328 1 3 '3D CBCA(CO)NH' . . . 25328 1 4 '3D HNCA' . . . 25328 1 5 '3D HNCACB' . . . 25328 1 6 '3D HN(CO)CA' . . . 25328 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 C C 13 174.430 0.2 . 1 . . . . 1 met C . 25328 1 2 . 1 1 1 1 MET CA C 13 55.346 0.2 . 1 . . . . 1 met CA . 25328 1 3 . 1 1 1 1 MET CB C 13 34.761 0.2 . 1 . . . . 1 met CB . 25328 1 4 . 1 1 2 2 ASN H H 1 8.708 0.02 . 1 . . . . 2 asn HN . 25328 1 5 . 1 1 2 2 ASN C C 13 175.372 0.2 . 1 . . . . 2 asn C . 25328 1 6 . 1 1 2 2 ASN CA C 13 51.057 0.2 . 1 . . . . 2 asn CA . 25328 1 7 . 1 1 2 2 ASN CB C 13 39.905 0.2 . 1 . . . . 2 asn CB . 25328 1 8 . 1 1 2 2 ASN N N 15 126.462 0.2 . 1 . . . . 2 asn N . 25328 1 9 . 1 1 3 3 LYS H H 1 8.474 0.02 . 1 . . . . 3 lys HN . 25328 1 10 . 1 1 3 3 LYS C C 13 177.006 0.2 . 1 . . . . 3 lys C . 25328 1 11 . 1 1 3 3 LYS CA C 13 61.169 0.2 . 1 . . . . 3 lys CA . 25328 1 12 . 1 1 3 3 LYS CB C 13 33.548 0.2 . 1 . . . . 3 lys CB . 25328 1 13 . 1 1 3 3 LYS N N 15 118.019 0.2 . 1 . . . . 3 lys N . 25328 1 14 . 1 1 4 4 THR H H 1 7.905 0.02 . 1 . . . . 4 thr HN . 25328 1 15 . 1 1 4 4 THR C C 13 176.613 0.2 . 1 . . . . 4 thr C . 25328 1 16 . 1 1 4 4 THR CA C 13 66.880 0.2 . 1 . . . . 4 thr CA . 25328 1 17 . 1 1 4 4 THR CB C 13 68.670 0.2 . 1 . . . . 4 thr CB . 25328 1 18 . 1 1 4 4 THR N N 15 114.123 0.2 . 1 . . . . 4 thr N . 25328 1 19 . 1 1 5 5 GLN H H 1 8.364 0.02 . 1 . . . . 5 gln HN . 25328 1 20 . 1 1 5 5 GLN C C 13 178.911 0.2 . 1 . . . . 5 gln C . 25328 1 21 . 1 1 5 5 GLN CA C 13 58.473 0.2 . 1 . . . . 5 gln CA . 25328 1 22 . 1 1 5 5 GLN CB C 13 29.578 0.2 . 1 . . . . 5 gln CB . 25328 1 23 . 1 1 5 5 GLN N N 15 120.706 0.2 . 1 . . . . 5 gln N . 25328 1 24 . 1 1 6 6 LEU H H 1 8.404 0.02 . 1 . . . . 6 leu HN . 25328 1 25 . 1 1 6 6 LEU C C 13 177.651 0.2 . 1 . . . . 6 leu C . 25328 1 26 . 1 1 6 6 LEU CA C 13 58.109 0.2 . 1 . . . . 6 leu CA . 25328 1 27 . 1 1 6 6 LEU CB C 13 47.817 0.2 . 1 . . . . 6 leu CB . 25328 1 28 . 1 1 6 6 LEU N N 15 121.971 0.2 . 1 . . . . 6 leu N . 25328 1 29 . 1 1 7 7 ILE H H 1 8.409 0.02 . 1 . . . . 7 ile HN . 25328 1 30 . 1 1 7 7 ILE C C 13 176.774 0.2 . 1 . . . . 7 ile C . 25328 1 31 . 1 1 7 7 ILE CA C 13 66.598 0.2 . 1 . . . . 7 ile CA . 25328 1 32 . 1 1 7 7 ILE CB C 13 37.610 0.2 . 1 . . . . 7 ile CB . 25328 1 33 . 1 1 7 7 ILE N N 15 119.856 0.2 . 1 . . . . 7 ile N . 25328 1 34 . 1 1 8 8 ASP H H 1 7.369 0.02 . 1 . . . . 8 asp HN . 25328 1 35 . 1 1 8 8 ASP C C 13 179.525 0.2 . 1 . . . . 8 asp C . 25328 1 36 . 1 1 8 8 ASP CA C 13 57.886 0.2 . 1 . . . . 8 asp CA . 25328 1 37 . 1 1 8 8 ASP CB C 13 40.096 0.2 . 1 . . . . 8 asp CB . 25328 1 38 . 1 1 8 8 ASP N N 15 118.652 0.2 . 1 . . . . 8 asp N . 25328 1 39 . 1 1 9 9 VAL H H 1 7.756 0.02 . 1 . . . . 9 val HN . 25328 1 40 . 1 1 9 9 VAL C C 13 177.814 0.2 . 1 . . . . 9 val C . 25328 1 41 . 1 1 9 9 VAL CA C 13 66.513 0.2 . 1 . . . . 9 val CA . 25328 1 42 . 1 1 9 9 VAL N N 15 121.854 0.2 . 1 . . . . 9 val N . 25328 1 43 . 1 1 10 10 ILE H H 1 8.648 0.02 . 1 . . . . 10 ile HN . 25328 1 44 . 1 1 10 10 ILE C C 13 177.561 0.2 . 1 . . . . 10 ile C . 25328 1 45 . 1 1 10 10 ILE CA C 13 66.191 0.2 . 1 . . . . 10 ile CA . 25328 1 46 . 1 1 10 10 ILE CB C 13 38.740 0.2 . 1 . . . . 10 ile CB . 25328 1 47 . 1 1 10 10 ILE N N 15 120.500 0.2 . 1 . . . . 10 ile N . 25328 1 48 . 1 1 11 11 ALA H H 1 8.522 0.02 . 1 . . . . 11 ala HN . 25328 1 49 . 1 1 11 11 ALA C C 13 179.393 0.2 . 1 . . . . 11 ala C . 25328 1 50 . 1 1 11 11 ALA CA C 13 56.006 0.2 . 1 . . . . 11 ala CA . 25328 1 51 . 1 1 11 11 ALA CB C 13 17.615 0.2 . 1 . . . . 11 ala CB . 25328 1 52 . 1 1 11 11 ALA N N 15 119.908 0.2 . 1 . . . . 11 ala N . 25328 1 53 . 1 1 12 12 GLU H H 1 7.472 0.02 . 1 . . . . 12 glu HN . 25328 1 54 . 1 1 12 12 GLU C C 13 179.850 0.2 . 1 . . . . 12 glu C . 25328 1 55 . 1 1 12 12 GLU CA C 13 59.049 0.2 . 1 . . . . 12 glu CA . 25328 1 56 . 1 1 12 12 GLU CB C 13 30.129 0.2 . 1 . . . . 12 glu CB . 25328 1 57 . 1 1 12 12 GLU N N 15 115.467 0.2 . 1 . . . . 12 glu N . 25328 1 58 . 1 1 13 13 LYS H H 1 8.884 0.02 . 1 . . . . 13 lys HN . 25328 1 59 . 1 1 13 13 LYS C C 13 178.427 0.2 . 1 . . . . 13 lys C . 25328 1 60 . 1 1 13 13 LYS CA C 13 58.759 0.2 . 1 . . . . 13 lys CA . 25328 1 61 . 1 1 13 13 LYS CB C 13 33.174 0.2 . 1 . . . . 13 lys CB . 25328 1 62 . 1 1 13 13 LYS N N 15 118.177 0.2 . 1 . . . . 13 lys N . 25328 1 63 . 1 1 14 14 ALA H H 1 8.827 0.02 . 1 . . . . 14 ala HN . 25328 1 64 . 1 1 14 14 ALA C C 13 175.064 0.2 . 1 . . . . 14 ala C . 25328 1 65 . 1 1 14 14 ALA CA C 13 51.512 0.2 . 1 . . . . 14 ala CA . 25328 1 66 . 1 1 14 14 ALA CB C 13 17.961 0.2 . 1 . . . . 14 ala CB . 25328 1 67 . 1 1 14 14 ALA N N 15 118.580 0.2 . 1 . . . . 14 ala N . 25328 1 68 . 1 1 15 15 GLU H H 1 7.402 0.02 . 1 . . . . 15 glu HN . 25328 1 69 . 1 1 15 15 GLU C C 13 175.091 0.2 . 1 . . . . 15 glu C . 25328 1 70 . 1 1 15 15 GLU CA C 13 57.112 0.2 . 1 . . . . 15 glu CA . 25328 1 71 . 1 1 15 15 GLU CB C 13 26.775 0.2 . 1 . . . . 15 glu CB . 25328 1 72 . 1 1 15 15 GLU N N 15 115.659 0.2 . 1 . . . . 15 glu N . 25328 1 73 . 1 1 16 16 LEU H H 1 8.404 0.02 . 1 . . . . 16 leu HN . 25328 1 74 . 1 1 16 16 LEU C C 13 176.744 0.2 . 1 . . . . 16 leu C . 25328 1 75 . 1 1 16 16 LEU CA C 13 52.260 0.2 . 1 . . . . 16 leu CA . 25328 1 76 . 1 1 16 16 LEU CB C 13 46.541 0.2 . 1 . . . . 16 leu CB . 25328 1 77 . 1 1 16 16 LEU N N 15 118.772 0.2 . 1 . . . . 16 leu N . 25328 1 78 . 1 1 17 17 SER H H 1 8.802 0.02 . 1 . . . . 17 ser HN . 25328 1 79 . 1 1 17 17 SER C C 13 175.566 0.2 . 1 . . . . 17 ser C . 25328 1 80 . 1 1 17 17 SER CA C 13 57.210 0.2 . 1 . . . . 17 ser CA . 25328 1 81 . 1 1 17 17 SER CB C 13 64.988 0.2 . 1 . . . . 17 ser CB . 25328 1 82 . 1 1 17 17 SER N N 15 114.861 0.2 . 1 . . . . 17 ser N . 25328 1 83 . 1 1 18 18 LYS H H 1 9.086 0.02 . 1 . . . . 18 lys HN . 25328 1 84 . 1 1 18 18 LYS C C 13 179.411 0.2 . 1 . . . . 18 lys C . 25328 1 85 . 1 1 18 18 LYS CA C 13 60.920 0.2 . 1 . . . . 18 lys CA . 25328 1 86 . 1 1 18 18 LYS CB C 13 31.738 0.2 . 1 . . . . 18 lys CB . 25328 1 87 . 1 1 18 18 LYS N N 15 120.867 0.2 . 1 . . . . 18 lys N . 25328 1 88 . 1 1 19 19 THR H H 1 8.060 0.02 . 1 . . . . 19 thr HN . 25328 1 89 . 1 1 19 19 THR C C 13 177.315 0.2 . 1 . . . . 19 thr C . 25328 1 90 . 1 1 19 19 THR CA C 13 66.490 0.2 . 1 . . . . 19 thr CA . 25328 1 91 . 1 1 19 19 THR CB C 13 68.646 0.2 . 1 . . . . 19 thr CB . 25328 1 92 . 1 1 19 19 THR N N 15 113.758 0.2 . 1 . . . . 19 thr N . 25328 1 93 . 1 1 20 20 GLN H H 1 7.847 0.02 . 1 . . . . 20 gln HN . 25328 1 94 . 1 1 20 20 GLN C C 13 177.867 0.2 . 1 . . . . 20 gln C . 25328 1 95 . 1 1 20 20 GLN CA C 13 58.430 0.2 . 1 . . . . 20 gln CA . 25328 1 96 . 1 1 20 20 GLN CB C 13 30.552 0.2 . 1 . . . . 20 gln CB . 25328 1 97 . 1 1 20 20 GLN N N 15 123.288 0.2 . 1 . . . . 20 gln N . 25328 1 98 . 1 1 21 21 ALA H H 1 8.817 0.02 . 1 . . . . 21 ala HN . 25328 1 99 . 1 1 21 21 ALA C C 13 178.353 0.2 . 1 . . . . 21 ala C . 25328 1 100 . 1 1 21 21 ALA CA C 13 55.316 0.2 . 1 . . . . 21 ala CA . 25328 1 101 . 1 1 21 21 ALA CB C 13 19.636 0.2 . 1 . . . . 21 ala CB . 25328 1 102 . 1 1 21 21 ALA N N 15 121.580 0.2 . 1 . . . . 21 ala N . 25328 1 103 . 1 1 22 22 LYS H H 1 8.249 0.02 . 1 . . . . 22 lys HN . 25328 1 104 . 1 1 22 22 LYS C C 13 177.479 0.2 . 1 . . . . 22 lys C . 25328 1 105 . 1 1 22 22 LYS CA C 13 60.060 0.2 . 1 . . . . 22 lys CA . 25328 1 106 . 1 1 22 22 LYS CB C 13 32.880 0.2 . 1 . . . . 22 lys CB . 25328 1 107 . 1 1 22 22 LYS N N 15 118.680 0.2 . 1 . . . . 22 lys N . 25328 1 108 . 1 1 23 23 ALA H H 1 7.838 0.02 . 1 . . . . 23 ala HN . 25328 1 109 . 1 1 23 23 ALA C C 13 181.659 0.2 . 1 . . . . 23 ala C . 25328 1 110 . 1 1 23 23 ALA CA C 13 54.858 0.2 . 1 . . . . 23 ala CA . 25328 1 111 . 1 1 23 23 ALA CB C 13 18.005 0.2 . 1 . . . . 23 ala CB . 25328 1 112 . 1 1 23 23 ALA N N 15 120.726 0.2 . 1 . . . . 23 ala N . 25328 1 113 . 1 1 24 24 ALA H H 1 8.946 0.02 . 1 . . . . 24 ala HN . 25328 1 114 . 1 1 24 24 ALA C C 13 180.130 0.2 . 1 . . . . 24 ala C . 25328 1 115 . 1 1 24 24 ALA CA C 13 55.539 0.2 . 1 . . . . 24 ala CA . 25328 1 116 . 1 1 24 24 ALA CB C 13 17.692 0.2 . 1 . . . . 24 ala CB . 25328 1 117 . 1 1 24 24 ALA N N 15 122.712 0.2 . 1 . . . . 24 ala N . 25328 1 118 . 1 1 25 25 LEU H H 1 8.623 0.02 . 1 . . . . 25 leu HN . 25328 1 119 . 1 1 25 25 LEU C C 13 178.895 0.2 . 1 . . . . 25 leu C . 25328 1 120 . 1 1 25 25 LEU CA C 13 58.272 0.2 . 1 . . . . 25 leu CA . 25328 1 121 . 1 1 25 25 LEU N N 15 122.119 0.2 . 1 . . . . 25 leu N . 25328 1 122 . 1 1 26 26 GLU H H 1 9.009 0.02 . 1 . . . . 26 glu HN . 25328 1 123 . 1 1 26 26 GLU C C 13 180.839 0.2 . 1 . . . . 26 glu C . 25328 1 124 . 1 1 26 26 GLU CA C 13 59.773 0.2 . 1 . . . . 26 glu CA . 25328 1 125 . 1 1 26 26 GLU CB C 13 28.474 0.2 . 1 . . . . 26 glu CB . 25328 1 126 . 1 1 26 26 GLU N N 15 117.777 0.2 . 1 . . . . 26 glu N . 25328 1 127 . 1 1 27 27 SER H H 1 8.428 0.02 . 1 . . . . 27 ser HN . 25328 1 128 . 1 1 27 27 SER C C 13 175.684 0.2 . 1 . . . . 27 ser C . 25328 1 129 . 1 1 27 27 SER CA C 13 62.641 0.2 . 1 . . . . 27 ser CA . 25328 1 130 . 1 1 27 27 SER CB C 13 62.858 0.2 . 1 . . . . 27 ser CB . 25328 1 131 . 1 1 27 27 SER N N 15 114.870 0.2 . 1 . . . . 27 ser N . 25328 1 132 . 1 1 28 28 THR H H 1 7.969 0.02 . 1 . . . . 28 thr HN . 25328 1 133 . 1 1 28 28 THR C C 13 175.121 0.2 . 1 . . . . 28 thr C . 25328 1 134 . 1 1 28 28 THR CA C 13 67.944 0.2 . 1 . . . . 28 thr CA . 25328 1 135 . 1 1 28 28 THR CB C 13 68.081 0.2 . 1 . . . . 28 thr CB . 25328 1 136 . 1 1 28 28 THR N N 15 121.380 0.2 . 1 . . . . 28 thr N . 25328 1 137 . 1 1 29 29 LEU H H 1 7.794 0.02 . 1 . . . . 29 leu HN . 25328 1 138 . 1 1 29 29 LEU C C 13 180.255 0.2 . 1 . . . . 29 leu C . 25328 1 139 . 1 1 29 29 LEU CA C 13 57.546 0.2 . 1 . . . . 29 leu CA . 25328 1 140 . 1 1 29 29 LEU CB C 13 39.106 0.2 . 1 . . . . 29 leu CB . 25328 1 141 . 1 1 29 29 LEU N N 15 118.500 0.2 . 1 . . . . 29 leu N . 25328 1 142 . 1 1 30 30 ALA H H 1 8.222 0.02 . 1 . . . . 30 ala HN . 25328 1 143 . 1 1 30 30 ALA C C 13 179.299 0.2 . 1 . . . . 30 ala C . 25328 1 144 . 1 1 30 30 ALA CA C 13 55.070 0.2 . 1 . . . . 30 ala CA . 25328 1 145 . 1 1 30 30 ALA CB C 13 18.184 0.2 . 1 . . . . 30 ala CB . 25328 1 146 . 1 1 30 30 ALA N N 15 122.864 0.2 . 1 . . . . 30 ala N . 25328 1 147 . 1 1 31 31 ALA H H 1 8.163 0.02 . 1 . . . . 31 ala HN . 25328 1 148 . 1 1 31 31 ALA C C 13 180.771 0.2 . 1 . . . . 31 ala C . 25328 1 149 . 1 1 31 31 ALA CA C 13 54.978 0.2 . 1 . . . . 31 ala CA . 25328 1 150 . 1 1 31 31 ALA CB C 13 19.051 0.2 . 1 . . . . 31 ala CB . 25328 1 151 . 1 1 31 31 ALA N N 15 120.868 0.2 . 1 . . . . 31 ala N . 25328 1 152 . 1 1 32 32 ILE H H 1 7.977 0.02 . 1 . . . . 32 ile HN . 25328 1 153 . 1 1 32 32 ILE C C 13 176.731 0.2 . 1 . . . . 32 ile C . 25328 1 154 . 1 1 32 32 ILE CA C 13 65.951 0.2 . 1 . . . . 32 ile CA . 25328 1 155 . 1 1 32 32 ILE CB C 13 38.502 0.2 . 1 . . . . 32 ile CB . 25328 1 156 . 1 1 32 32 ILE N N 15 118.195 0.2 . 1 . . . . 32 ile N . 25328 1 157 . 1 1 33 33 THR H H 1 7.890 0.02 . 1 . . . . 33 thr HN . 25328 1 158 . 1 1 33 33 THR C C 13 175.253 0.2 . 1 . . . . 33 thr C . 25328 1 159 . 1 1 33 33 THR CA C 13 68.246 0.2 . 1 . . . . 33 thr CA . 25328 1 160 . 1 1 33 33 THR CB C 13 68.429 0.2 . 1 . . . . 33 thr CB . 25328 1 161 . 1 1 33 33 THR N N 15 115.923 0.2 . 1 . . . . 33 thr N . 25328 1 162 . 1 1 34 34 GLU H H 1 8.487 0.02 . 1 . . . . 34 glu HN . 25328 1 163 . 1 1 34 34 GLU C C 13 178.678 0.2 . 1 . . . . 34 glu C . 25328 1 164 . 1 1 34 34 GLU CA C 13 59.558 0.2 . 1 . . . . 34 glu CA . 25328 1 165 . 1 1 34 34 GLU CB C 13 29.420 0.2 . 1 . . . . 34 glu CB . 25328 1 166 . 1 1 34 34 GLU N N 15 119.446 0.2 . 1 . . . . 34 glu N . 25328 1 167 . 1 1 35 35 SER H H 1 7.879 0.02 . 1 . . . . 35 ser HN . 25328 1 168 . 1 1 35 35 SER C C 13 177.342 0.2 . 1 . . . . 35 ser C . 25328 1 169 . 1 1 35 35 SER CA C 13 62.632 0.2 . 1 . . . . 35 ser CA . 25328 1 170 . 1 1 35 35 SER CB C 13 63.738 0.2 . 1 . . . . 35 ser CB . 25328 1 171 . 1 1 35 35 SER N N 15 115.109 0.2 . 1 . . . . 35 ser N . 25328 1 172 . 1 1 36 36 LEU H H 1 8.118 0.02 . 1 . . . . 36 leu HN . 25328 1 173 . 1 1 36 36 LEU C C 13 180.856 0.2 . 1 . . . . 36 leu C . 25328 1 174 . 1 1 36 36 LEU CA C 13 58.192 0.2 . 1 . . . . 36 leu CA . 25328 1 175 . 1 1 36 36 LEU CB C 13 40.926 0.2 . 1 . . . . 36 leu CB . 25328 1 176 . 1 1 36 36 LEU N N 15 119.732 0.2 . 1 . . . . 36 leu N . 25328 1 177 . 1 1 37 37 LYS H H 1 8.551 0.02 . 1 . . . . 37 lys HN . 25328 1 178 . 1 1 37 37 LYS C C 13 177.795 0.2 . 1 . . . . 37 lys C . 25328 1 179 . 1 1 37 37 LYS CA C 13 60.052 0.2 . 1 . . . . 37 lys CA . 25328 1 180 . 1 1 37 37 LYS CB C 13 32.393 0.2 . 1 . . . . 37 lys CB . 25328 1 181 . 1 1 37 37 LYS N N 15 122.130 0.2 . 1 . . . . 37 lys N . 25328 1 182 . 1 1 38 38 GLU H H 1 7.454 0.02 . 1 . . . . 38 glu HN . 25328 1 183 . 1 1 38 38 GLU C C 13 176.786 0.2 . 1 . . . . 38 glu C . 25328 1 184 . 1 1 38 38 GLU CA C 13 56.020 0.2 . 1 . . . . 38 glu CA . 25328 1 185 . 1 1 38 38 GLU CB C 13 29.744 0.2 . 1 . . . . 38 glu CB . 25328 1 186 . 1 1 38 38 GLU N N 15 115.427 0.2 . 1 . . . . 38 glu N . 25328 1 187 . 1 1 39 39 GLY H H 1 8.054 0.02 . 1 . . . . 39 gly HN . 25328 1 188 . 1 1 39 39 GLY C C 13 173.756 0.2 . 1 . . . . 39 gly C . 25328 1 189 . 1 1 39 39 GLY CA C 13 45.500 0.2 . 1 . . . . 39 gly CA . 25328 1 190 . 1 1 39 39 GLY N N 15 108.387 0.2 . 1 . . . . 39 gly N . 25328 1 191 . 1 1 40 40 ASP H H 1 8.236 0.02 . 1 . . . . 40 asp HN . 25328 1 192 . 1 1 40 40 ASP C C 13 174.134 0.2 . 1 . . . . 40 asp C . 25328 1 193 . 1 1 40 40 ASP CA C 13 52.958 0.2 . 1 . . . . 40 asp CA . 25328 1 194 . 1 1 40 40 ASP CB C 13 42.381 0.2 . 1 . . . . 40 asp CB . 25328 1 195 . 1 1 40 40 ASP N N 15 122.875 0.2 . 1 . . . . 40 asp N . 25328 1 196 . 1 1 41 41 ALA H H 1 8.206 0.02 . 1 . . . . 41 ala HN . 25328 1 197 . 1 1 41 41 ALA C C 13 177.003 0.2 . 1 . . . . 41 ala C . 25328 1 198 . 1 1 41 41 ALA CA C 13 51.749 0.2 . 1 . . . . 41 ala CA . 25328 1 199 . 1 1 41 41 ALA CB C 13 20.266 0.2 . 1 . . . . 41 ala CB . 25328 1 200 . 1 1 41 41 ALA N N 15 124.707 0.2 . 1 . . . . 41 ala N . 25328 1 201 . 1 1 42 42 VAL H H 1 9.245 0.02 . 1 . . . . 42 val HN . 25328 1 202 . 1 1 42 42 VAL C C 13 174.714 0.2 . 1 . . . . 42 val C . 25328 1 203 . 1 1 42 42 VAL CA C 13 61.325 0.2 . 1 . . . . 42 val CA . 25328 1 204 . 1 1 42 42 VAL N N 15 121.296 0.2 . 1 . . . . 42 val N . 25328 1 205 . 1 1 43 43 GLN H H 1 8.782 0.02 . 1 . . . . 43 gln HN . 25328 1 206 . 1 1 43 43 GLN C C 13 172.019 0.2 . 1 . . . . 43 gln C . 25328 1 207 . 1 1 43 43 GLN CA C 13 55.434 0.2 . 1 . . . . 43 gln CA . 25328 1 208 . 1 1 43 43 GLN CB C 13 30.230 0.2 . 1 . . . . 43 gln CB . 25328 1 209 . 1 1 43 43 GLN N N 15 127.640 0.2 . 1 . . . . 43 gln N . 25328 1 210 . 1 1 44 44 LEU H H 1 8.710 0.02 . 1 . . . . 44 leu HN . 25328 1 211 . 1 1 44 44 LEU C C 13 175.626 0.2 . 1 . . . . 44 leu C . 25328 1 212 . 1 1 44 44 LEU CA C 13 52.492 0.2 . 1 . . . . 44 leu CA . 25328 1 213 . 1 1 44 44 LEU CB C 13 41.535 0.2 . 1 . . . . 44 leu CB . 25328 1 214 . 1 1 44 44 LEU N N 15 126.420 0.2 . 1 . . . . 44 leu N . 25328 1 215 . 1 1 45 45 VAL H H 1 8.364 0.02 . 1 . . . . 45 val HN . 25328 1 216 . 1 1 45 45 VAL CA C 13 64.952 0.2 . 1 . . . . 45 val CA . 25328 1 217 . 1 1 45 45 VAL CB C 13 31.217 0.2 . 1 . . . . 45 val CB . 25328 1 218 . 1 1 45 45 VAL N N 15 125.094 0.2 . 1 . . . . 45 val N . 25328 1 219 . 1 1 46 46 GLY H H 1 7.885 0.02 . 1 . . . . 46 gly HN . 25328 1 220 . 1 1 46 46 GLY C C 13 173.025 0.2 . 1 . . . . 46 gly C . 25328 1 221 . 1 1 46 46 GLY CA C 13 45.919 0.2 . 1 . . . . 46 gly CA . 25328 1 222 . 1 1 46 46 GLY N N 15 106.697 0.2 . 1 . . . . 46 gly N . 25328 1 223 . 1 1 47 47 PHE H H 1 8.368 0.02 . 1 . . . . 47 phe HN . 25328 1 224 . 1 1 47 47 PHE C C 13 174.417 0.2 . 1 . . . . 47 phe C . 25328 1 225 . 1 1 47 47 PHE CA C 13 60.922 0.2 . 1 . . . . 47 phe CA . 25328 1 226 . 1 1 47 47 PHE CB C 13 41.377 0.2 . 1 . . . . 47 phe CB . 25328 1 227 . 1 1 47 47 PHE N N 15 122.559 0.2 . 1 . . . . 47 phe N . 25328 1 228 . 1 1 48 48 GLY H H 1 8.547 0.02 . 1 . . . . 48 gly HN . 25328 1 229 . 1 1 48 48 GLY C C 13 171.057 0.2 . 1 . . . . 48 gly C . 25328 1 230 . 1 1 48 48 GLY CA C 13 45.999 0.2 . 1 . . . . 48 gly CA . 25328 1 231 . 1 1 48 48 GLY N N 15 105.773 0.2 . 1 . . . . 48 gly N . 25328 1 232 . 1 1 49 49 THR H H 1 7.889 0.02 . 1 . . . . 49 thr HN . 25328 1 233 . 1 1 49 49 THR C C 13 173.874 0.2 . 1 . . . . 49 thr C . 25328 1 234 . 1 1 49 49 THR CA C 13 60.571 0.2 . 1 . . . . 49 thr CA . 25328 1 235 . 1 1 49 49 THR CB C 13 72.703 0.2 . 1 . . . . 49 thr CB . 25328 1 236 . 1 1 49 49 THR N N 15 114.905 0.2 . 1 . . . . 49 thr N . 25328 1 237 . 1 1 50 50 PHE H H 1 9.340 0.02 . 1 . . . . 50 phe HN . 25328 1 238 . 1 1 50 50 PHE C C 13 173.915 0.2 . 1 . . . . 50 phe C . 25328 1 239 . 1 1 50 50 PHE CA C 13 57.084 0.2 . 1 . . . . 50 phe CA . 25328 1 240 . 1 1 50 50 PHE CB C 13 41.786 0.2 . 1 . . . . 50 phe CB . 25328 1 241 . 1 1 50 50 PHE N N 15 124.918 0.2 . 1 . . . . 50 phe N . 25328 1 242 . 1 1 51 51 LYS H H 1 9.415 0.02 . 1 . . . . 51 lys HN . 25328 1 243 . 1 1 51 51 LYS C C 13 173.024 0.2 . 1 . . . . 51 lys C . 25328 1 244 . 1 1 51 51 LYS CA C 13 54.888 0.2 . 1 . . . . 51 lys CA . 25328 1 245 . 1 1 51 51 LYS CB C 13 35.322 0.2 . 1 . . . . 51 lys CB . 25328 1 246 . 1 1 51 51 LYS N N 15 120.337 0.2 . 1 . . . . 51 lys N . 25328 1 247 . 1 1 52 52 VAL H H 1 8.537 0.02 . 1 . . . . 52 val HN . 25328 1 248 . 1 1 52 52 VAL C C 13 175.497 0.2 . 1 . . . . 52 val C . 25328 1 249 . 1 1 52 52 VAL CA C 13 61.027 0.2 . 1 . . . . 52 val CA . 25328 1 250 . 1 1 52 52 VAL CB C 13 33.738 0.2 . 1 . . . . 52 val CB . 25328 1 251 . 1 1 52 52 VAL N N 15 116.465 0.2 . 1 . . . . 52 val N . 25328 1 252 . 1 1 53 53 ASN H H 1 9.018 0.02 . 1 . . . . 53 asn HN . 25328 1 253 . 1 1 53 53 ASN C C 13 174.098 0.2 . 1 . . . . 53 asn C . 25328 1 254 . 1 1 53 53 ASN CA C 13 51.327 0.2 . 1 . . . . 53 asn CA . 25328 1 255 . 1 1 53 53 ASN CB C 13 40.367 0.2 . 1 . . . . 53 asn CB . 25328 1 256 . 1 1 53 53 ASN N N 15 124.753 0.2 . 1 . . . . 53 asn N . 25328 1 257 . 1 1 54 54 HIS H H 1 8.944 0.02 . 1 . . . . 54 his HN . 25328 1 258 . 1 1 54 54 HIS C C 13 174.327 0.2 . 1 . . . . 54 his C . 25328 1 259 . 1 1 54 54 HIS CA C 13 56.033 0.2 . 1 . . . . 54 his CA . 25328 1 260 . 1 1 54 54 HIS CB C 13 30.140 0.2 . 1 . . . . 54 his CB . 25328 1 261 . 1 1 54 54 HIS N N 15 123.060 0.2 . 1 . . . . 54 his N . 25328 1 262 . 1 1 55 55 ARG H H 1 8.887 0.02 . 1 . . . . 55 arg HN . 25328 1 263 . 1 1 55 55 ARG C C 13 174.573 0.2 . 1 . . . . 55 arg C . 25328 1 264 . 1 1 55 55 ARG CA C 13 54.921 0.2 . 1 . . . . 55 arg CA . 25328 1 265 . 1 1 55 55 ARG CB C 13 31.553 0.2 . 1 . . . . 55 arg CB . 25328 1 266 . 1 1 55 55 ARG N N 15 129.399 0.2 . 1 . . . . 55 arg N . 25328 1 267 . 1 1 56 56 ALA H H 1 8.282 0.02 . 1 . . . . 56 ala HN . 25328 1 268 . 1 1 56 56 ALA C C 13 177.639 0.2 . 1 . . . . 56 ala C . 25328 1 269 . 1 1 56 56 ALA CA C 13 51.890 0.2 . 1 . . . . 56 ala CA . 25328 1 270 . 1 1 56 56 ALA CB C 13 19.670 0.2 . 1 . . . . 56 ala CB . 25328 1 271 . 1 1 56 56 ALA N N 15 126.550 0.2 . 1 . . . . 56 ala N . 25328 1 272 . 1 1 57 57 GLU H H 1 8.744 0.02 . 1 . . . . 57 glu HN . 25328 1 273 . 1 1 57 57 GLU C C 13 175.596 0.2 . 1 . . . . 57 glu C . 25328 1 274 . 1 1 57 57 GLU CA C 13 56.835 0.2 . 1 . . . . 57 glu CA . 25328 1 275 . 1 1 57 57 GLU CB C 13 30.617 0.2 . 1 . . . . 57 glu CB . 25328 1 276 . 1 1 57 57 GLU N N 15 121.490 0.2 . 1 . . . . 57 glu N . 25328 1 277 . 1 1 58 58 ARG H H 1 8.606 0.02 . 1 . . . . 58 arg HN . 25328 1 278 . 1 1 58 58 ARG C C 13 174.574 0.2 . 1 . . . . 58 arg C . 25328 1 279 . 1 1 58 58 ARG CA C 13 54.929 0.2 . 1 . . . . 58 arg CA . 25328 1 280 . 1 1 58 58 ARG CB C 13 33.289 0.2 . 1 . . . . 58 arg CB . 25328 1 281 . 1 1 58 58 ARG N N 15 122.722 0.2 . 1 . . . . 58 arg N . 25328 1 282 . 1 1 59 59 THR H H 1 8.511 0.02 . 1 . . . . 59 thr HN . 25328 1 283 . 1 1 59 59 THR C C 13 174.568 0.2 . 1 . . . . 59 thr C . 25328 1 284 . 1 1 59 59 THR CA C 13 61.401 0.2 . 1 . . . . 59 thr CA . 25328 1 285 . 1 1 59 59 THR CB C 13 70.482 0.2 . 1 . . . . 59 thr CB . 25328 1 286 . 1 1 59 59 THR N N 15 115.802 0.2 . 1 . . . . 59 thr N . 25328 1 287 . 1 1 60 60 GLY H H 1 8.807 0.02 . 1 . . . . 60 gly HN . 25328 1 288 . 1 1 60 60 GLY C C 13 172.575 0.2 . 1 . . . . 60 gly C . 25328 1 289 . 1 1 60 60 GLY CA C 13 44.410 0.2 . 1 . . . . 60 gly CA . 25328 1 290 . 1 1 60 60 GLY N N 15 113.021 0.2 . 1 . . . . 60 gly N . 25328 1 291 . 1 1 61 61 ARG H H 1 8.555 0.02 . 1 . . . . 61 arg HN . 25328 1 292 . 1 1 61 61 ARG C C 13 175.589 0.2 . 1 . . . . 61 arg C . 25328 1 293 . 1 1 61 61 ARG CA C 13 54.675 0.2 . 1 . . . . 61 arg CA . 25328 1 294 . 1 1 61 61 ARG CB C 13 32.821 0.2 . 1 . . . . 61 arg CB . 25328 1 295 . 1 1 61 61 ARG N N 15 120.450 0.2 . 1 . . . . 61 arg N . 25328 1 296 . 1 1 62 62 ASN H H 1 8.941 0.02 . 1 . . . . 62 asn HN . 25328 1 297 . 1 1 62 62 ASN CA C 13 51.108 0.2 . 1 . . . . 62 asn CA . 25328 1 298 . 1 1 62 62 ASN CB C 13 39.497 0.2 . 1 . . . . 62 asn CB . 25328 1 299 . 1 1 62 62 ASN N N 15 125.998 0.2 . 1 . . . . 62 asn N . 25328 1 300 . 1 1 63 63 PRO C C 13 177.583 0.2 . 1 . . . . 63 pro C . 25328 1 301 . 1 1 63 63 PRO CA C 13 64.506 0.2 . 1 . . . . 63 pro CA . 25328 1 302 . 1 1 63 63 PRO CB C 13 32.120 0.2 . 1 . . . . 63 pro CB . 25328 1 303 . 1 1 64 64 GLN H H 1 8.295 0.02 . 1 . . . . 64 gln HN . 25328 1 304 . 1 1 64 64 GLN C C 13 177.518 0.2 . 1 . . . . 64 gln C . 25328 1 305 . 1 1 64 64 GLN CA C 13 58.052 0.2 . 1 . . . . 64 gln CA . 25328 1 306 . 1 1 64 64 GLN CB C 13 29.450 0.2 . 1 . . . . 64 gln CB . 25328 1 307 . 1 1 64 64 GLN N N 15 116.410 0.2 . 1 . . . . 64 gln N . 25328 1 308 . 1 1 65 65 THR H H 1 7.685 0.02 . 1 . . . . 65 thr HN . 25328 1 309 . 1 1 65 65 THR C C 13 176.327 0.2 . 1 . . . . 65 thr C . 25328 1 310 . 1 1 65 65 THR CA C 13 61.337 0.2 . 1 . . . . 65 thr CA . 25328 1 311 . 1 1 65 65 THR CB C 13 70.972 0.2 . 1 . . . . 65 thr CB . 25328 1 312 . 1 1 65 65 THR N N 15 106.719 0.2 . 1 . . . . 65 thr N . 25328 1 313 . 1 1 66 66 GLY H H 1 8.556 0.02 . 1 . . . . 66 gly HN . 25328 1 314 . 1 1 66 66 GLY C C 13 173.680 0.2 . 1 . . . . 66 gly C . 25328 1 315 . 1 1 66 66 GLY CA C 13 45.651 0.2 . 1 . . . . 66 gly CA . 25328 1 316 . 1 1 66 66 GLY N N 15 111.347 0.2 . 1 . . . . 66 gly N . 25328 1 317 . 1 1 67 67 LYS H H 1 7.648 0.02 . 1 . . . . 67 lys HN . 25328 1 318 . 1 1 67 67 LYS C C 13 176.019 0.2 . 1 . . . . 67 lys C . 25328 1 319 . 1 1 67 67 LYS CA C 13 55.848 0.2 . 1 . . . . 67 lys CA . 25328 1 320 . 1 1 67 67 LYS CB C 13 33.504 0.2 . 1 . . . . 67 lys CB . 25328 1 321 . 1 1 67 67 LYS N N 15 119.856 0.2 . 1 . . . . 67 lys N . 25328 1 322 . 1 1 68 68 GLU H H 1 8.704 0.02 . 1 . . . . 68 glu HN . 25328 1 323 . 1 1 68 68 GLU C C 13 176.243 0.2 . 1 . . . . 68 glu C . 25328 1 324 . 1 1 68 68 GLU CA C 13 57.071 0.2 . 1 . . . . 68 glu CA . 25328 1 325 . 1 1 68 68 GLU CB C 13 30.768 0.2 . 1 . . . . 68 glu CB . 25328 1 326 . 1 1 68 68 GLU N N 15 122.529 0.2 . 1 . . . . 68 glu N . 25328 1 327 . 1 1 69 69 ILE H H 1 8.428 0.02 . 1 . . . . 69 ile HN . 25328 1 328 . 1 1 69 69 ILE C C 13 174.385 0.2 . 1 . . . . 69 ile C . 25328 1 329 . 1 1 69 69 ILE CA C 13 59.680 0.2 . 1 . . . . 69 ile CA . 25328 1 330 . 1 1 69 69 ILE CB C 13 41.730 0.2 . 1 . . . . 69 ile CB . 25328 1 331 . 1 1 69 69 ILE N N 15 121.771 0.2 . 1 . . . . 69 ile N . 25328 1 332 . 1 1 70 70 LYS H H 1 8.528 0.02 . 1 . . . . 70 lys HN . 25328 1 333 . 1 1 70 70 LYS C C 13 175.746 0.2 . 1 . . . . 70 lys C . 25328 1 334 . 1 1 70 70 LYS CA C 13 55.658 0.2 . 1 . . . . 70 lys CA . 25328 1 335 . 1 1 70 70 LYS CB C 13 33.242 0.2 . 1 . . . . 70 lys CB . 25328 1 336 . 1 1 70 70 LYS N N 15 124.393 0.2 . 1 . . . . 70 lys N . 25328 1 337 . 1 1 71 71 ILE H H 1 8.937 0.02 . 1 . . . . 71 ile HN . 25328 1 338 . 1 1 71 71 ILE C C 13 175.048 0.2 . 1 . . . . 71 ile C . 25328 1 339 . 1 1 71 71 ILE CA C 13 60.532 0.2 . 1 . . . . 71 ile CA . 25328 1 340 . 1 1 71 71 ILE CB C 13 38.310 0.2 . 1 . . . . 71 ile CB . 25328 1 341 . 1 1 71 71 ILE N N 15 127.999 0.2 . 1 . . . . 71 ile N . 25328 1 342 . 1 1 72 72 ALA H H 1 8.375 0.02 . 1 . . . . 72 ala HN . 25328 1 343 . 1 1 72 72 ALA C C 13 177.797 0.2 . 1 . . . . 72 ala C . 25328 1 344 . 1 1 72 72 ALA CA C 13 52.430 0.2 . 1 . . . . 72 ala CA . 25328 1 345 . 1 1 72 72 ALA CB C 13 19.623 0.2 . 1 . . . . 72 ala CB . 25328 1 346 . 1 1 72 72 ALA N N 15 128.647 0.2 . 1 . . . . 72 ala N . 25328 1 347 . 1 1 73 73 ALA H H 1 8.677 0.02 . 1 . . . . 73 ala HN . 25328 1 348 . 1 1 73 73 ALA C C 13 177.227 0.2 . 1 . . . . 73 ala C . 25328 1 349 . 1 1 73 73 ALA CA C 13 52.490 0.2 . 1 . . . . 73 ala CA . 25328 1 350 . 1 1 73 73 ALA CB C 13 19.779 0.2 . 1 . . . . 73 ala CB . 25328 1 351 . 1 1 73 73 ALA N N 15 123.756 0.2 . 1 . . . . 73 ala N . 25328 1 352 . 1 1 74 74 ALA H H 1 8.456 0.02 . 1 . . . . 74 ala HN . 25328 1 353 . 1 1 74 74 ALA C C 13 175.248 0.2 . 1 . . . . 74 ala C . 25328 1 354 . 1 1 74 74 ALA CA C 13 51.683 0.2 . 1 . . . . 74 ala CA . 25328 1 355 . 1 1 74 74 ALA CB C 13 22.682 0.2 . 1 . . . . 74 ala CB . 25328 1 356 . 1 1 74 74 ALA N N 15 122.256 0.2 . 1 . . . . 74 ala N . 25328 1 357 . 1 1 75 75 ASN H H 1 8.752 0.02 . 1 . . . . 75 asn HN . 25328 1 358 . 1 1 75 75 ASN C C 13 174.599 0.2 . 1 . . . . 75 asn C . 25328 1 359 . 1 1 75 75 ASN CA C 13 52.288 0.2 . 1 . . . . 75 asn CA . 25328 1 360 . 1 1 75 75 ASN CB C 13 39.733 0.2 . 1 . . . . 75 asn CB . 25328 1 361 . 1 1 75 75 ASN N N 15 120.198 0.2 . 1 . . . . 75 asn N . 25328 1 362 . 1 1 76 76 VAL H H 1 8.877 0.02 . 1 . . . . 76 val HN . 25328 1 363 . 1 1 76 76 VAL CA C 13 58.362 0.2 . 1 . . . . 76 val CA . 25328 1 364 . 1 1 76 76 VAL CB C 13 34.617 0.2 . 1 . . . . 76 val CB . 25328 1 365 . 1 1 76 76 VAL N N 15 119.372 0.2 . 1 . . . . 76 val N . 25328 1 366 . 1 1 77 77 PRO C C 13 175.673 0.2 . 1 . . . . 77 pro C . 25328 1 367 . 1 1 77 77 PRO CA C 13 62.321 0.2 . 1 . . . . 77 pro CA . 25328 1 368 . 1 1 77 77 PRO CB C 13 32.178 0.2 . 1 . . . . 77 pro CB . 25328 1 369 . 1 1 78 78 ALA H H 1 9.364 0.02 . 1 . . . . 78 ala HN . 25328 1 370 . 1 1 78 78 ALA C C 13 174.295 0.2 . 1 . . . . 78 ala C . 25328 1 371 . 1 1 78 78 ALA CA C 13 51.494 0.2 . 1 . . . . 78 ala CA . 25328 1 372 . 1 1 78 78 ALA CB C 13 23.332 0.2 . 1 . . . . 78 ala CB . 25328 1 373 . 1 1 78 78 ALA N N 15 124.877 0.2 . 1 . . . . 78 ala N . 25328 1 374 . 1 1 79 79 PHE H H 1 8.511 0.02 . 1 . . . . 79 phe HN . 25328 1 375 . 1 1 79 79 PHE C C 13 174.384 0.2 . 1 . . . . 79 phe C . 25328 1 376 . 1 1 79 79 PHE CA C 13 55.286 0.2 . 1 . . . . 79 phe CA . 25328 1 377 . 1 1 79 79 PHE CB C 13 43.125 0.2 . 1 . . . . 79 phe CB . 25328 1 378 . 1 1 79 79 PHE N N 15 119.718 0.2 . 1 . . . . 79 phe N . 25328 1 379 . 1 1 80 80 VAL H H 1 8.522 0.02 . 1 . . . . 80 val HN . 25328 1 380 . 1 1 80 80 VAL CA C 13 60.253 0.2 . 1 . . . . 80 val CA . 25328 1 381 . 1 1 80 80 VAL CB C 13 33.232 0.2 . 1 . . . . 80 val CB . 25328 1 382 . 1 1 80 80 VAL N N 15 129.525 0.2 . 1 . . . . 80 val N . 25328 1 383 . 1 1 81 81 SER C C 13 174.359 0.2 . 1 . . . . 81 ser C . 25328 1 384 . 1 1 81 81 SER CA C 13 59.845 0.2 . 1 . . . . 81 ser CA . 25328 1 385 . 1 1 81 81 SER CB C 13 64.223 0.2 . 1 . . . . 81 ser CB . 25328 1 386 . 1 1 82 82 GLY H H 1 8.378 0.02 . 1 . . . . 82 gly HN . 25328 1 387 . 1 1 82 82 GLY CA C 13 43.678 0.2 . 1 . . . . 82 gly CA . 25328 1 388 . 1 1 82 82 GLY N N 15 113.377 0.2 . 1 . . . . 82 gly N . 25328 1 389 . 1 1 83 83 LYS H H 1 8.533 0.02 . 1 . . . . 83 lys HN . 25328 1 390 . 1 1 83 83 LYS C C 13 178.023 0.2 . 1 . . . . 83 lys C . 25328 1 391 . 1 1 83 83 LYS CA C 13 60.004 0.2 . 1 . . . . 83 lys CA . 25328 1 392 . 1 1 83 83 LYS CB C 13 32.944 0.2 . 1 . . . . 83 lys CB . 25328 1 393 . 1 1 83 83 LYS N N 15 121.747 0.2 . 1 . . . . 83 lys N . 25328 1 394 . 1 1 84 84 ALA H H 1 8.414 0.02 . 1 . . . . 84 ala HN . 25328 1 395 . 1 1 84 84 ALA C C 13 180.776 0.2 . 1 . . . . 84 ala C . 25328 1 396 . 1 1 84 84 ALA CA C 13 55.122 0.2 . 1 . . . . 84 ala CA . 25328 1 397 . 1 1 84 84 ALA CB C 13 17.705 0.2 . 1 . . . . 84 ala CB . 25328 1 398 . 1 1 84 84 ALA N N 15 119.623 0.2 . 1 . . . . 84 ala N . 25328 1 399 . 1 1 85 85 LEU H H 1 7.309 0.02 . 1 . . . . 85 leu HN . 25328 1 400 . 1 1 85 85 LEU C C 13 178.098 0.2 . 1 . . . . 85 leu C . 25328 1 401 . 1 1 85 85 LEU CA C 13 57.794 0.2 . 1 . . . . 85 leu CA . 25328 1 402 . 1 1 85 85 LEU CB C 13 42.228 0.2 . 1 . . . . 85 leu CB . 25328 1 403 . 1 1 85 85 LEU N N 15 120.140 0.2 . 1 . . . . 85 leu N . 25328 1 404 . 1 1 86 86 LYS H H 1 7.784 0.02 . 1 . . . . 86 lys HN . 25328 1 405 . 1 1 86 86 LYS C C 13 179.857 0.2 . 1 . . . . 86 lys C . 25328 1 406 . 1 1 86 86 LYS CA C 13 60.618 0.2 . 1 . . . . 86 lys CA . 25328 1 407 . 1 1 86 86 LYS CB C 13 32.524 0.2 . 1 . . . . 86 lys CB . 25328 1 408 . 1 1 86 86 LYS N N 15 116.395 0.2 . 1 . . . . 86 lys N . 25328 1 409 . 1 1 87 87 ASP H H 1 8.575 0.02 . 1 . . . . 87 asp HN . 25328 1 410 . 1 1 87 87 ASP C C 13 177.988 0.2 . 1 . . . . 87 asp C . 25328 1 411 . 1 1 87 87 ASP CA C 13 56.772 0.2 . 1 . . . . 87 asp CA . 25328 1 412 . 1 1 87 87 ASP CB C 13 40.313 0.2 . 1 . . . . 87 asp CB . 25328 1 413 . 1 1 87 87 ASP N N 15 117.903 0.2 . 1 . . . . 87 asp N . 25328 1 414 . 1 1 88 88 ALA H H 1 7.761 0.02 . 1 . . . . 88 ala HN . 25328 1 415 . 1 1 88 88 ALA C C 13 178.992 0.2 . 1 . . . . 88 ala C . 25328 1 416 . 1 1 88 88 ALA CA C 13 54.543 0.2 . 1 . . . . 88 ala CA . 25328 1 417 . 1 1 88 88 ALA CB C 13 19.228 0.2 . 1 . . . . 88 ala CB . 25328 1 418 . 1 1 88 88 ALA N N 15 120.571 0.2 . 1 . . . . 88 ala N . 25328 1 419 . 1 1 89 89 VAL H H 1 7.137 0.02 . 1 . . . . 89 val HN . 25328 1 420 . 1 1 89 89 VAL C C 13 174.371 0.2 . 1 . . . . 89 val C . 25328 1 421 . 1 1 89 89 VAL CA C 13 60.921 0.2 . 1 . . . . 89 val CA . 25328 1 422 . 1 1 89 89 VAL CB C 13 32.138 0.2 . 1 . . . . 89 val CB . 25328 1 423 . 1 1 89 89 VAL N N 15 107.840 0.2 . 1 . . . . 89 val N . 25328 1 424 . 1 1 90 90 LYS H H 1 7.122 0.02 . 1 . . . . 90 lys HN . 25328 1 425 . 1 1 90 90 LYS CA C 13 59.167 0.2 . 1 . . . . 90 lys CA . 25328 1 426 . 1 1 90 90 LYS N N 15 126.034 0.2 . 1 . . . . 90 lys N . 25328 1 stop_ save_