data_25329 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25329 _Entry.Title ; Backbone Assignment Of the homodimer HUB2 from E.coli at 293K ; _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' . . . . 25329 2 Bertrand Castaing . . . . 25329 3 Celine Landon . . . . 25329 4 Karine Loth . . . . 25329 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25329 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 252 25329 '15N chemical shifts' 85 25329 '1H chemical shifts' 85 25329 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' 25329 1 . . 2015-05-19 2014-11-12 original author 'original release' 25329 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25328 HUA2 25329 BMRB 25330 HUAB 25329 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25329 _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' . . . . 25329 1 2 Bertrand Castaing . . . . 25329 1 3 Celine Landon . . . . 25329 1 4 Karine Loth . . . . 25329 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID E.coli 25329 1 HU 25329 1 Histone-like 25329 1 Homodimer 25329 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25329 _Assembly.ID 1 _Assembly.Name HUB2 _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 'HUB2, chain 1' 1 $entity A . yes native no no . . . 25329 1 2 'HUB2, chain 2' 1 $entity A . yes native no no . . . 25329 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 4P3V . . X-ray . . . 25329 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25329 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HUB2 _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 ; MNKSQLIDKIAAGADISKAA AGRALDAIIASVTESLKEGD DVALVGFGTFAVKERAARTG RNPQTGKEITIAAAKVPSFR AGKALKDAVN ; _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 . 25329 1 2 . ASN . 25329 1 3 . LYS . 25329 1 4 . SER . 25329 1 5 . GLN . 25329 1 6 . LEU . 25329 1 7 . ILE . 25329 1 8 . ASP . 25329 1 9 . LYS . 25329 1 10 . ILE . 25329 1 11 . ALA . 25329 1 12 . ALA . 25329 1 13 . GLY . 25329 1 14 . ALA . 25329 1 15 . ASP . 25329 1 16 . ILE . 25329 1 17 . SER . 25329 1 18 . LYS . 25329 1 19 . ALA . 25329 1 20 . ALA . 25329 1 21 . ALA . 25329 1 22 . GLY . 25329 1 23 . ARG . 25329 1 24 . ALA . 25329 1 25 . LEU . 25329 1 26 . ASP . 25329 1 27 . ALA . 25329 1 28 . ILE . 25329 1 29 . ILE . 25329 1 30 . ALA . 25329 1 31 . SER . 25329 1 32 . VAL . 25329 1 33 . THR . 25329 1 34 . GLU . 25329 1 35 . SER . 25329 1 36 . LEU . 25329 1 37 . LYS . 25329 1 38 . GLU . 25329 1 39 . GLY . 25329 1 40 . ASP . 25329 1 41 . ASP . 25329 1 42 . VAL . 25329 1 43 . ALA . 25329 1 44 . LEU . 25329 1 45 . VAL . 25329 1 46 . GLY . 25329 1 47 . PHE . 25329 1 48 . GLY . 25329 1 49 . THR . 25329 1 50 . PHE . 25329 1 51 . ALA . 25329 1 52 . VAL . 25329 1 53 . LYS . 25329 1 54 . GLU . 25329 1 55 . ARG . 25329 1 56 . ALA . 25329 1 57 . ALA . 25329 1 58 . ARG . 25329 1 59 . THR . 25329 1 60 . GLY . 25329 1 61 . ARG . 25329 1 62 . ASN . 25329 1 63 . PRO . 25329 1 64 . GLN . 25329 1 65 . THR . 25329 1 66 . GLY . 25329 1 67 . LYS . 25329 1 68 . GLU . 25329 1 69 . ILE . 25329 1 70 . THR . 25329 1 71 . ILE . 25329 1 72 . ALA . 25329 1 73 . ALA . 25329 1 74 . ALA . 25329 1 75 . LYS . 25329 1 76 . VAL . 25329 1 77 . PRO . 25329 1 78 . SER . 25329 1 79 . PHE . 25329 1 80 . ARG . 25329 1 81 . ALA . 25329 1 82 . GLY . 25329 1 83 . LYS . 25329 1 84 . ALA . 25329 1 85 . LEU . 25329 1 86 . LYS . 25329 1 87 . ASP . 25329 1 88 . ALA . 25329 1 89 . VAL . 25329 1 90 . ASN . 25329 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 25329 1 . ASN 2 2 25329 1 . LYS 3 3 25329 1 . SER 4 4 25329 1 . GLN 5 5 25329 1 . LEU 6 6 25329 1 . ILE 7 7 25329 1 . ASP 8 8 25329 1 . LYS 9 9 25329 1 . ILE 10 10 25329 1 . ALA 11 11 25329 1 . ALA 12 12 25329 1 . GLY 13 13 25329 1 . ALA 14 14 25329 1 . ASP 15 15 25329 1 . ILE 16 16 25329 1 . SER 17 17 25329 1 . LYS 18 18 25329 1 . ALA 19 19 25329 1 . ALA 20 20 25329 1 . ALA 21 21 25329 1 . GLY 22 22 25329 1 . ARG 23 23 25329 1 . ALA 24 24 25329 1 . LEU 25 25 25329 1 . ASP 26 26 25329 1 . ALA 27 27 25329 1 . ILE 28 28 25329 1 . ILE 29 29 25329 1 . ALA 30 30 25329 1 . SER 31 31 25329 1 . VAL 32 32 25329 1 . THR 33 33 25329 1 . GLU 34 34 25329 1 . SER 35 35 25329 1 . LEU 36 36 25329 1 . LYS 37 37 25329 1 . GLU 38 38 25329 1 . GLY 39 39 25329 1 . ASP 40 40 25329 1 . ASP 41 41 25329 1 . VAL 42 42 25329 1 . ALA 43 43 25329 1 . LEU 44 44 25329 1 . VAL 45 45 25329 1 . GLY 46 46 25329 1 . PHE 47 47 25329 1 . GLY 48 48 25329 1 . THR 49 49 25329 1 . PHE 50 50 25329 1 . ALA 51 51 25329 1 . VAL 52 52 25329 1 . LYS 53 53 25329 1 . GLU 54 54 25329 1 . ARG 55 55 25329 1 . ALA 56 56 25329 1 . ALA 57 57 25329 1 . ARG 58 58 25329 1 . THR 59 59 25329 1 . GLY 60 60 25329 1 . ARG 61 61 25329 1 . ASN 62 62 25329 1 . PRO 63 63 25329 1 . GLN 64 64 25329 1 . THR 65 65 25329 1 . GLY 66 66 25329 1 . LYS 67 67 25329 1 . GLU 68 68 25329 1 . ILE 69 69 25329 1 . THR 70 70 25329 1 . ILE 71 71 25329 1 . ALA 72 72 25329 1 . ALA 73 73 25329 1 . ALA 74 74 25329 1 . LYS 75 75 25329 1 . VAL 76 76 25329 1 . PRO 77 77 25329 1 . SER 78 78 25329 1 . PHE 79 79 25329 1 . ARG 80 80 25329 1 . ALA 81 81 25329 1 . GLY 82 82 25329 1 . LYS 83 83 25329 1 . ALA 84 84 25329 1 . LEU 85 85 25329 1 . LYS 86 86 25329 1 . ASP 87 87 25329 1 . ALA 88 88 25329 1 . VAL 89 89 25329 1 . ASN 90 90 25329 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 25329 _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 . . . . . . . . . . . . . 25329 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 25329 _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-hupB . . . 25329 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25329 _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 HUB2 '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 0.5 . . mM . . . . 25329 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25329 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 25329 1 4 DTT 'natural abundance' . . . . . . 0.05 . . mM . . . . 25329 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25329 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25329 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 25329 _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 25329 1 pH 7.5 . pH 25329 1 pressure 1 . atm 25329 1 temperature 293 . K 25329 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25329 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25329 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25329 1 processing 25329 1 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 25329 _Software.ID 2 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25329 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25329 2 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 25329 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 25329 _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 . 700 . . . 25329 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 25329 _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 . . . . . . . . . . . . . . . . 25329 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25329 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25329 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25329 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25329 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25329 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25329 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 25329 _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 . . . . . . . . . 25329 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25329 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25329 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 25329 _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' . . . 25329 1 2 '3D HNCO' . . . 25329 1 3 '3D HNCA' . . . 25329 1 4 '3D HNCACB' . . . 25329 1 5 '3D HN(CO)CA' . . . 25329 1 6 '3D CBCA(CO)NH' . . . 25329 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 13 171.951 0.2 . 1 . . . . 1 MET C . 25329 1 2 . 1 1 1 1 MET CA C 13 55.108 0.2 . 1 . . . . 1 MET CA . 25329 1 3 . 1 1 1 1 MET CB C 13 34.584 0.2 . 1 . . . . 1 MET CB . 25329 1 4 . 1 1 2 2 ASN H H 1 8.650 0.01 . 1 . . . . 2 ASN HN . 25329 1 5 . 1 1 2 2 ASN C C 13 175.389 0.2 . 1 . . . . 2 ASN C . 25329 1 6 . 1 1 2 2 ASN CA C 13 51.056 0.2 . 1 . . . . 2 ASN CA . 25329 1 7 . 1 1 2 2 ASN CB C 13 39.997 0.2 . 1 . . . . 2 ASN CB . 25329 1 8 . 1 1 2 2 ASN N N 15 125.789 0.2 . 1 . . . . 2 ASN N . 25329 1 9 . 1 1 3 3 LYS H H 1 8.521 0.01 . 1 . . . . 3 LYS HN . 25329 1 10 . 1 1 3 3 LYS C C 13 177.273 0.2 . 1 . . . . 3 LYS C . 25329 1 11 . 1 1 3 3 LYS CA C 13 61.177 0.2 . 1 . . . . 3 LYS CA . 25329 1 12 . 1 1 3 3 LYS CB C 13 34.115 0.2 . 1 . . . . 3 LYS CB . 25329 1 13 . 1 1 3 3 LYS N N 15 118.248 0.2 . 1 . . . . 3 LYS N . 25329 1 14 . 1 1 4 4 SER H H 1 8.186 0.01 . 1 . . . . 4 SER HN . 25329 1 15 . 1 1 4 4 SER C C 13 177.180 0.2 . 1 . . . . 4 SER C . 25329 1 16 . 1 1 4 4 SER CA C 13 62.102 0.2 . 1 . . . . 4 SER CA . 25329 1 17 . 1 1 4 4 SER CB C 13 62.444 0.2 . 1 . . . . 4 SER CB . 25329 1 18 . 1 1 4 4 SER N N 15 113.750 0.2 . 1 . . . . 4 SER N . 25329 1 19 . 1 1 5 5 GLN H H 1 8.363 0.01 . 1 . . . . 5 GLN HN . 25329 1 20 . 1 1 5 5 GLN C C 13 179.369 0.2 . 1 . . . . 5 GLN C . 25329 1 21 . 1 1 5 5 GLN CA C 13 58.409 0.2 . 1 . . . . 5 GLN CA . 25329 1 22 . 1 1 5 5 GLN CB C 13 30.170 0.2 . 1 . . . . 5 GLN CB . 25329 1 23 . 1 1 5 5 GLN N N 15 120.324 0.2 . 1 . . . . 5 GLN N . 25329 1 24 . 1 1 6 6 LEU H H 1 8.395 0.01 . 1 . . . . 6 LEU HN . 25329 1 25 . 1 1 6 6 LEU C C 13 178.554 0.2 . 1 . . . . 6 LEU C . 25329 1 26 . 1 1 6 6 LEU CA C 13 58.087 0.2 . 1 . . . . 6 LEU CA . 25329 1 27 . 1 1 6 6 LEU CB C 13 41.258 0.2 . 1 . . . . 6 LEU CB . 25329 1 28 . 1 1 6 6 LEU N N 15 122.359 0.2 . 1 . . . . 6 LEU N . 25329 1 29 . 1 1 7 7 ILE H H 1 8.550 0.01 . 1 . . . . 7 ILE HN . 25329 1 30 . 1 1 7 7 ILE C C 13 177.461 0.2 . 1 . . . . 7 ILE C . 25329 1 31 . 1 1 7 7 ILE CA C 13 66.905 0.2 . 1 . . . . 7 ILE CA . 25329 1 32 . 1 1 7 7 ILE CB C 13 37.224 0.2 . 1 . . . . 7 ILE CB . 25329 1 33 . 1 1 7 7 ILE N N 15 120.532 0.2 . 1 . . . . 7 ILE N . 25329 1 34 . 1 1 8 8 ASP H H 1 7.498 0.01 . 1 . . . . 8 ASP HN . 25329 1 35 . 1 1 8 8 ASP CA C 13 58.012 0.2 . 1 . . . . 8 ASP CA . 25329 1 36 . 1 1 8 8 ASP CB C 13 40.099 0.2 . 1 . . . . 8 ASP CB . 25329 1 37 . 1 1 8 8 ASP N N 15 119.125 0.2 . 1 . . . . 8 ASP N . 25329 1 38 . 1 1 9 9 LYS H H 1 7.706 0.01 . 1 . . . . 9 LYS HN . 25329 1 39 . 1 1 9 9 LYS C C 13 180.612 0.2 . 1 . . . . 9 LYS C . 25329 1 40 . 1 1 9 9 LYS CA C 13 58.821 0.2 . 1 . . . . 9 LYS CA . 25329 1 41 . 1 1 9 9 LYS CB C 13 33.308 0.2 . 1 . . . . 9 LYS CB . 25329 1 42 . 1 1 9 9 LYS N N 15 120.170 0.2 . 1 . . . . 9 LYS N . 25329 1 43 . 1 1 10 10 ILE H H 1 8.751 0.01 . 1 . . . . 10 ILE HN . 25329 1 44 . 1 1 10 10 ILE C C 13 176.917 0.2 . 1 . . . . 10 ILE C . 25329 1 45 . 1 1 10 10 ILE CA C 13 65.504 0.2 . 1 . . . . 10 ILE CA . 25329 1 46 . 1 1 10 10 ILE N N 15 122.153 0.2 . 1 . . . . 10 ILE N . 25329 1 47 . 1 1 11 11 ALA H H 1 8.460 0.01 . 1 . . . . 11 ALA HN . 25329 1 48 . 1 1 11 11 ALA C C 13 179.719 0.2 . 1 . . . . 11 ALA C . 25329 1 49 . 1 1 11 11 ALA CA C 13 55.381 0.2 . 1 . . . . 11 ALA CA . 25329 1 50 . 1 1 11 11 ALA CB C 13 17.788 0.2 . 1 . . . . 11 ALA CB . 25329 1 51 . 1 1 11 11 ALA N N 15 122.173 0.2 . 1 . . . . 11 ALA N . 25329 1 52 . 1 1 12 12 ALA H H 1 7.516 0.01 . 1 . . . . 12 ALA HN . 25329 1 53 . 1 1 12 12 ALA C C 13 180.635 0.2 . 1 . . . . 12 ALA C . 25329 1 54 . 1 1 12 12 ALA CA C 13 54.261 0.2 . 1 . . . . 12 ALA CA . 25329 1 55 . 1 1 12 12 ALA CB C 13 18.681 0.2 . 1 . . . . 12 ALA CB . 25329 1 56 . 1 1 12 12 ALA N N 15 116.285 0.2 . 1 . . . . 12 ALA N . 25329 1 57 . 1 1 13 13 GLY H H 1 8.256 0.01 . 1 . . . . 13 GLY HN . 25329 1 58 . 1 1 13 13 GLY C C 13 174.783 0.2 . 1 . . . . 13 GLY C . 25329 1 59 . 1 1 13 13 GLY CA C 13 46.632 0.2 . 1 . . . . 13 GLY CA . 25329 1 60 . 1 1 13 13 GLY N N 15 105.415 0.2 . 1 . . . . 13 GLY N . 25329 1 61 . 1 1 14 14 ALA H H 1 8.478 0.01 . 1 . . . . 14 ALA HN . 25329 1 62 . 1 1 14 14 ALA C C 13 175.477 0.2 . 1 . . . . 14 ALA C . 25329 1 63 . 1 1 14 14 ALA CA C 13 51.219 0.2 . 1 . . . . 14 ALA CA . 25329 1 64 . 1 1 14 14 ALA CB C 13 19.100 0.2 . 1 . . . . 14 ALA CB . 25329 1 65 . 1 1 14 14 ALA N N 15 119.696 0.2 . 1 . . . . 14 ALA N . 25329 1 66 . 1 1 15 15 ASP H H 1 7.731 0.01 . 1 . . . . 15 ASP HN . 25329 1 67 . 1 1 15 15 ASP C C 13 174.809 0.2 . 1 . . . . 15 ASP C . 25329 1 68 . 1 1 15 15 ASP CA C 13 55.190 0.2 . 1 . . . . 15 ASP CA . 25329 1 69 . 1 1 15 15 ASP CB C 13 39.329 0.2 . 1 . . . . 15 ASP CB . 25329 1 70 . 1 1 15 15 ASP N N 15 119.489 0.2 . 1 . . . . 15 ASP N . 25329 1 71 . 1 1 16 16 ILE H H 1 7.864 0.01 . 1 . . . . 16 ILE HN . 25329 1 72 . 1 1 16 16 ILE C C 13 174.657 0.2 . 1 . . . . 16 ILE C . 25329 1 73 . 1 1 16 16 ILE CA C 13 58.872 0.2 . 1 . . . . 16 ILE CA . 25329 1 74 . 1 1 16 16 ILE CB C 13 41.443 0.2 . 1 . . . . 16 ILE CB . 25329 1 75 . 1 1 16 16 ILE N N 15 110.025 0.2 . 1 . . . . 16 ILE N . 25329 1 76 . 1 1 17 17 SER H H 1 8.530 0.01 . 1 . . . . 17 SER HN . 25329 1 77 . 1 1 17 17 SER C C 13 174.796 0.2 . 1 . . . . 17 SER C . 25329 1 78 . 1 1 17 17 SER CA C 13 57.462 0.2 . 1 . . . . 17 SER CA . 25329 1 79 . 1 1 17 17 SER CB C 13 64.858 0.2 . 1 . . . . 17 SER CB . 25329 1 80 . 1 1 17 17 SER N N 15 115.582 0.2 . 1 . . . . 17 SER N . 25329 1 81 . 1 1 18 18 LYS H H 1 8.911 0.01 . 1 . . . . 18 LYS HN . 25329 1 82 . 1 1 18 18 LYS C C 13 180.070 0.2 . 1 . . . . 18 LYS C . 25329 1 83 . 1 1 18 18 LYS CA C 13 60.693 0.2 . 1 . . . . 18 LYS CA . 25329 1 84 . 1 1 18 18 LYS CB C 13 31.752 0.2 . 1 . . . . 18 LYS CB . 25329 1 85 . 1 1 18 18 LYS N N 15 120.292 0.2 . 1 . . . . 18 LYS N . 25329 1 86 . 1 1 19 19 ALA H H 1 8.538 0.01 . 1 . . . . 19 ALA HN . 25329 1 87 . 1 1 19 19 ALA C C 13 180.497 0.2 . 1 . . . . 19 ALA C . 25329 1 88 . 1 1 19 19 ALA CA C 13 55.121 0.2 . 1 . . . . 19 ALA CA . 25329 1 89 . 1 1 19 19 ALA CB C 13 19.224 0.2 . 1 . . . . 19 ALA CB . 25329 1 90 . 1 1 19 19 ALA N N 15 122.424 0.2 . 1 . . . . 19 ALA N . 25329 1 91 . 1 1 20 20 ALA H H 1 8.197 0.01 . 1 . . . . 20 ALA HN . 25329 1 92 . 1 1 20 20 ALA C C 13 179.397 0.2 . 1 . . . . 20 ALA C . 25329 1 93 . 1 1 20 20 ALA CA C 13 55.210 0.2 . 1 . . . . 20 ALA CA . 25329 1 94 . 1 1 20 20 ALA CB C 13 18.827 0.2 . 1 . . . . 20 ALA CB . 25329 1 95 . 1 1 20 20 ALA N N 15 123.306 0.2 . 1 . . . . 20 ALA N . 25329 1 96 . 1 1 21 21 ALA H H 1 8.858 0.01 . 1 . . . . 21 ALA HN . 25329 1 97 . 1 1 21 21 ALA C C 13 179.336 0.2 . 1 . . . . 21 ALA C . 25329 1 98 . 1 1 21 21 ALA CA C 13 55.379 0.2 . 1 . . . . 21 ALA CA . 25329 1 99 . 1 1 21 21 ALA CB C 13 19.761 0.2 . 1 . . . . 21 ALA CB . 25329 1 100 . 1 1 21 21 ALA N N 15 121.019 0.2 . 1 . . . . 21 ALA N . 25329 1 101 . 1 1 22 22 GLY H H 1 8.312 0.01 . 1 . . . . 22 GLY HN . 25329 1 102 . 1 1 22 22 GLY C C 13 176.152 0.2 . 1 . . . . 22 GLY C . 25329 1 103 . 1 1 22 22 GLY CA C 13 47.747 0.2 . 1 . . . . 22 GLY CA . 25329 1 104 . 1 1 22 22 GLY N N 15 105.194 0.2 . 1 . . . . 22 GLY N . 25329 1 105 . 1 1 23 23 ARG H H 1 7.810 0.01 . 1 . . . . 23 ARG HN . 25329 1 106 . 1 1 23 23 ARG C C 13 179.982 0.2 . 1 . . . . 23 ARG C . 25329 1 107 . 1 1 23 23 ARG CA C 13 59.634 0.2 . 1 . . . . 23 ARG CA . 25329 1 108 . 1 1 23 23 ARG CB C 13 30.565 0.2 . 1 . . . . 23 ARG CB . 25329 1 109 . 1 1 23 23 ARG N N 15 120.770 0.2 . 1 . . . . 23 ARG N . 25329 1 110 . 1 1 24 24 ALA H H 1 8.905 0.01 . 1 . . . . 24 ALA HN . 25329 1 111 . 1 1 24 24 ALA C C 13 178.391 0.2 . 1 . . . . 24 ALA C . 25329 1 112 . 1 1 24 24 ALA CA C 13 55.328 0.2 . 1 . . . . 24 ALA CA . 25329 1 113 . 1 1 24 24 ALA CB C 13 16.853 0.2 . 1 . . . . 24 ALA CB . 25329 1 114 . 1 1 24 24 ALA N N 15 123.440 0.2 . 1 . . . . 24 ALA N . 25329 1 115 . 1 1 25 25 LEU H H 1 8.112 0.01 . 1 . . . . 25 LEU HN . 25329 1 116 . 1 1 25 25 LEU C C 13 178.307 0.2 . 1 . . . . 25 LEU C . 25329 1 117 . 1 1 25 25 LEU CA C 13 57.842 0.2 . 1 . . . . 25 LEU CA . 25329 1 118 . 1 1 25 25 LEU CB C 13 41.133 0.2 . 1 . . . . 25 LEU CB . 25329 1 119 . 1 1 25 25 LEU N N 15 118.319 0.2 . 1 . . . . 25 LEU N . 25329 1 120 . 1 1 26 26 ASP H H 1 8.191 0.01 . 1 . . . . 26 ASP HN . 25329 1 121 . 1 1 26 26 ASP C C 13 179.204 0.2 . 1 . . . . 26 ASP C . 25329 1 122 . 1 1 26 26 ASP CA C 13 57.668 0.2 . 1 . . . . 26 ASP CA . 25329 1 123 . 1 1 26 26 ASP CB C 13 39.872 0.2 . 1 . . . . 26 ASP CB . 25329 1 124 . 1 1 26 26 ASP N N 15 118.874 0.2 . 1 . . . . 26 ASP N . 25329 1 125 . 1 1 27 27 ALA H H 1 8.276 0.01 . 1 . . . . 27 ALA HN . 25329 1 126 . 1 1 27 27 ALA C C 13 181.059 0.2 . 1 . . . . 27 ALA C . 25329 1 127 . 1 1 27 27 ALA CA C 13 54.815 0.2 . 1 . . . . 27 ALA CA . 25329 1 128 . 1 1 27 27 ALA CB C 13 18.899 0.2 . 1 . . . . 27 ALA CB . 25329 1 129 . 1 1 27 27 ALA N N 15 122.465 0.2 . 1 . . . . 27 ALA N . 25329 1 130 . 1 1 28 28 ILE H H 1 8.171 0.01 . 1 . . . . 28 ILE HN . 25329 1 131 . 1 1 28 28 ILE C C 13 176.312 0.2 . 1 . . . . 28 ILE C . 25329 1 132 . 1 1 28 28 ILE CA C 13 66.942 0.2 . 1 . . . . 28 ILE CA . 25329 1 133 . 1 1 28 28 ILE N N 15 121.786 0.2 . 1 . . . . 28 ILE N . 25329 1 134 . 1 1 29 29 ILE H H 1 7.877 0.01 . 1 . . . . 29 ILE HN . 25329 1 135 . 1 1 29 29 ILE C C 13 179.298 0.2 . 1 . . . . 29 ILE C . 25329 1 136 . 1 1 29 29 ILE CA C 13 65.967 0.2 . 1 . . . . 29 ILE CA . 25329 1 137 . 1 1 29 29 ILE CB C 13 37.342 0.2 . 1 . . . . 29 ILE CB . 25329 1 138 . 1 1 29 29 ILE N N 15 120.536 0.2 . 1 . . . . 29 ILE N . 25329 1 139 . 1 1 30 30 ALA H H 1 8.569 0.01 . 1 . . . . 30 ALA HN . 25329 1 140 . 1 1 30 30 ALA C C 13 180.261 0.2 . 1 . . . . 30 ALA C . 25329 1 141 . 1 1 30 30 ALA CA C 13 55.394 0.2 . 1 . . . . 30 ALA CA . 25329 1 142 . 1 1 30 30 ALA CB C 13 18.151 0.2 . 1 . . . . 30 ALA CB . 25329 1 143 . 1 1 30 30 ALA N N 15 123.516 0.2 . 1 . . . . 30 ALA N . 25329 1 144 . 1 1 31 31 SER H H 1 8.236 0.01 . 1 . . . . 31 SER HN . 25329 1 145 . 1 1 31 31 SER C C 13 176.552 0.2 . 1 . . . . 31 SER C . 25329 1 146 . 1 1 31 31 SER CA C 13 62.830 0.2 . 1 . . . . 31 SER CA . 25329 1 147 . 1 1 31 31 SER CB C 13 63.147 0.2 . 1 . . . . 31 SER CB . 25329 1 148 . 1 1 31 31 SER N N 15 114.677 0.2 . 1 . . . . 31 SER N . 25329 1 149 . 1 1 32 32 VAL H H 1 8.607 0.01 . 1 . . . . 32 VAL HN . 25329 1 150 . 1 1 32 32 VAL C C 13 176.856 0.2 . 1 . . . . 32 VAL C . 25329 1 151 . 1 1 32 32 VAL CA C 13 66.995 0.2 . 1 . . . . 32 VAL CA . 25329 1 152 . 1 1 32 32 VAL N N 15 122.001 0.2 . 1 . . . . 32 VAL N . 25329 1 153 . 1 1 33 33 THR H H 1 7.788 0.01 . 1 . . . . 33 THR HN . 25329 1 154 . 1 1 33 33 THR C C 13 175.037 0.2 . 1 . . . . 33 THR C . 25329 1 155 . 1 1 33 33 THR CA C 13 68.357 0.2 . 1 . . . . 33 THR CA . 25329 1 156 . 1 1 33 33 THR CB C 13 69.917 0.2 . 1 . . . . 33 THR CB . 25329 1 157 . 1 1 33 33 THR N N 15 115.074 0.2 . 1 . . . . 33 THR N . 25329 1 158 . 1 1 34 34 GLU H H 1 8.191 0.01 . 1 . . . . 34 GLU HN . 25329 1 159 . 1 1 34 34 GLU C C 13 178.567 0.2 . 1 . . . . 34 GLU C . 25329 1 160 . 1 1 34 34 GLU CA C 13 59.527 0.2 . 1 . . . . 34 GLU CA . 25329 1 161 . 1 1 34 34 GLU CB C 13 29.497 0.2 . 1 . . . . 34 GLU CB . 25329 1 162 . 1 1 34 34 GLU N N 15 119.339 0.2 . 1 . . . . 34 GLU N . 25329 1 163 . 1 1 35 35 SER H H 1 7.936 0.01 . 1 . . . . 35 SER HN . 25329 1 164 . 1 1 35 35 SER C C 13 176.558 0.2 . 1 . . . . 35 SER C . 25329 1 165 . 1 1 35 35 SER CA C 13 63.075 0.2 . 1 . . . . 35 SER CA . 25329 1 166 . 1 1 35 35 SER CB C 13 63.486 0.2 . 1 . . . . 35 SER CB . 25329 1 167 . 1 1 35 35 SER N N 15 114.923 0.2 . 1 . . . . 35 SER N . 25329 1 168 . 1 1 36 36 LEU H H 1 8.154 0.01 . 1 . . . . 36 LEU HN . 25329 1 169 . 1 1 36 36 LEU C C 13 180.765 0.2 . 1 . . . . 36 LEU C . 25329 1 170 . 1 1 36 36 LEU CA C 13 58.020 0.2 . 1 . . . . 36 LEU CA . 25329 1 171 . 1 1 36 36 LEU CB C 13 43.506 0.2 . 1 . . . . 36 LEU CB . 25329 1 172 . 1 1 36 36 LEU N N 15 119.435 0.2 . 1 . . . . 36 LEU N . 25329 1 173 . 1 1 37 37 LYS H H 1 8.518 0.01 . 1 . . . . 37 LYS HN . 25329 1 174 . 1 1 37 37 LYS C C 13 177.908 0.2 . 1 . . . . 37 LYS C . 25329 1 175 . 1 1 37 37 LYS CA C 13 60.155 0.2 . 1 . . . . 37 LYS CA . 25329 1 176 . 1 1 37 37 LYS CB C 13 32.437 0.2 . 1 . . . . 37 LYS CB . 25329 1 177 . 1 1 37 37 LYS N N 15 121.470 0.2 . 1 . . . . 37 LYS N . 25329 1 178 . 1 1 38 38 GLU H H 1 7.550 0.01 . 1 . . . . 38 GLU HN . 25329 1 179 . 1 1 38 38 GLU C C 13 176.864 0.2 . 1 . . . . 38 GLU C . 25329 1 180 . 1 1 38 38 GLU CA C 13 56.071 0.2 . 1 . . . . 38 GLU CA . 25329 1 181 . 1 1 38 38 GLU CB C 13 29.930 0.2 . 1 . . . . 38 GLU CB . 25329 1 182 . 1 1 38 38 GLU N N 15 115.477 0.2 . 1 . . . . 38 GLU N . 25329 1 183 . 1 1 39 39 GLY H H 1 7.988 0.01 . 1 . . . . 39 GLY HN . 25329 1 184 . 1 1 39 39 GLY C C 13 173.850 0.2 . 1 . . . . 39 GLY C . 25329 1 185 . 1 1 39 39 GLY CA C 13 45.607 0.2 . 1 . . . . 39 GLY CA . 25329 1 186 . 1 1 39 39 GLY N N 15 108.396 0.2 . 1 . . . . 39 GLY N . 25329 1 187 . 1 1 40 40 ASP H H 1 8.314 0.01 . 1 . . . . 40 ASP HN . 25329 1 188 . 1 1 40 40 ASP C C 13 174.603 0.2 . 1 . . . . 40 ASP C . 25329 1 189 . 1 1 40 40 ASP CA C 13 52.857 0.2 . 1 . . . . 40 ASP CA . 25329 1 190 . 1 1 40 40 ASP CB C 13 42.643 0.2 . 1 . . . . 40 ASP CB . 25329 1 191 . 1 1 40 40 ASP N N 15 122.778 0.2 . 1 . . . . 40 ASP N . 25329 1 192 . 1 1 41 41 ASP H H 1 8.199 0.01 . 1 . . . . 41 ASP HN . 25329 1 193 . 1 1 41 41 ASP C C 13 176.378 0.2 . 1 . . . . 41 ASP C . 25329 1 194 . 1 1 41 41 ASP CA C 13 53.394 0.2 . 1 . . . . 41 ASP CA . 25329 1 195 . 1 1 41 41 ASP CB C 13 41.905 0.2 . 1 . . . . 41 ASP CB . 25329 1 196 . 1 1 41 41 ASP N N 15 121.757 0.2 . 1 . . . . 41 ASP N . 25329 1 197 . 1 1 42 42 VAL H H 1 9.013 0.01 . 1 . . . . 42 VAL HN . 25329 1 198 . 1 1 42 42 VAL C C 13 174.057 0.2 . 1 . . . . 42 VAL C . 25329 1 199 . 1 1 42 42 VAL CA C 13 61.952 0.2 . 1 . . . . 42 VAL CA . 25329 1 200 . 1 1 42 42 VAL CB C 13 33.152 0.2 . 1 . . . . 42 VAL CB . 25329 1 201 . 1 1 42 42 VAL N N 15 119.773 0.2 . 1 . . . . 42 VAL N . 25329 1 202 . 1 1 43 43 ALA H H 1 8.650 0.01 . 1 . . . . 43 ALA HN . 25329 1 203 . 1 1 43 43 ALA C C 13 175.717 0.2 . 1 . . . . 43 ALA C . 25329 1 204 . 1 1 43 43 ALA CA C 13 51.768 0.2 . 1 . . . . 43 ALA CA . 25329 1 205 . 1 1 43 43 ALA CB C 13 20.301 0.2 . 1 . . . . 43 ALA CB . 25329 1 206 . 1 1 43 43 ALA N N 15 131.635 0.2 . 1 . . . . 43 ALA N . 25329 1 207 . 1 1 44 44 LEU H H 1 8.639 0.01 . 1 . . . . 44 LEU HN . 25329 1 208 . 1 1 44 44 LEU C C 13 175.624 0.2 . 1 . . . . 44 LEU C . 25329 1 209 . 1 1 44 44 LEU CA C 13 52.403 0.2 . 1 . . . . 44 LEU CA . 25329 1 210 . 1 1 44 44 LEU CB C 13 42.384 0.2 . 1 . . . . 44 LEU CB . 25329 1 211 . 1 1 44 44 LEU N N 15 124.394 0.2 . 1 . . . . 44 LEU N . 25329 1 212 . 1 1 45 45 VAL H H 1 8.400 0.01 . 1 . . . . 45 VAL HN . 25329 1 213 . 1 1 45 45 VAL CA C 13 64.693 0.2 . 1 . . . . 45 VAL CA . 25329 1 214 . 1 1 45 45 VAL N N 15 126.847 0.2 . 1 . . . . 45 VAL N . 25329 1 215 . 1 1 46 46 GLY C C 13 173.109 0.2 . 1 . . . . 46 GLY C . 25329 1 216 . 1 1 46 46 GLY CA C 13 45.453 0.2 . 1 . . . . 46 GLY CA . 25329 1 217 . 1 1 47 47 PHE H H 1 8.353 0.01 . 1 . . . . 47 PHE HN . 25329 1 218 . 1 1 47 47 PHE C C 13 173.986 0.2 . 1 . . . . 47 PHE C . 25329 1 219 . 1 1 47 47 PHE CA C 13 59.281 0.2 . 1 . . . . 47 PHE CA . 25329 1 220 . 1 1 47 47 PHE CB C 13 41.251 0.2 . 1 . . . . 47 PHE CB . 25329 1 221 . 1 1 47 47 PHE N N 15 120.772 0.2 . 1 . . . . 47 PHE N . 25329 1 222 . 1 1 48 48 GLY H H 1 8.564 0.01 . 1 . . . . 48 GLY HN . 25329 1 223 . 1 1 48 48 GLY C C 13 171.094 0.2 . 1 . . . . 48 GLY C . 25329 1 224 . 1 1 48 48 GLY CA C 13 46.301 0.2 . 1 . . . . 48 GLY CA . 25329 1 225 . 1 1 48 48 GLY N N 15 107.040 0.2 . 1 . . . . 48 GLY N . 25329 1 226 . 1 1 49 49 THR H H 1 7.609 0.01 . 1 . . . . 49 THR HN . 25329 1 227 . 1 1 49 49 THR C C 13 174.434 0.2 . 1 . . . . 49 THR C . 25329 1 228 . 1 1 49 49 THR CA C 13 60.656 0.2 . 1 . . . . 49 THR CA . 25329 1 229 . 1 1 49 49 THR CB C 13 72.171 0.2 . 1 . . . . 49 THR CB . 25329 1 230 . 1 1 49 49 THR N N 15 114.294 0.2 . 1 . . . . 49 THR N . 25329 1 231 . 1 1 50 50 PHE H H 1 9.549 0.01 . 1 . . . . 50 PHE HN . 25329 1 232 . 1 1 50 50 PHE C C 13 173.617 0.2 . 1 . . . . 50 PHE C . 25329 1 233 . 1 1 50 50 PHE CA C 13 56.863 0.2 . 1 . . . . 50 PHE CA . 25329 1 234 . 1 1 50 50 PHE CB C 13 41.299 0.2 . 1 . . . . 50 PHE CB . 25329 1 235 . 1 1 50 50 PHE N N 15 126.948 0.2 . 1 . . . . 50 PHE N . 25329 1 236 . 1 1 51 51 ALA H H 1 8.964 0.01 . 1 . . . . 51 ALA HN . 25329 1 237 . 1 1 51 51 ALA C C 13 176.093 0.2 . 1 . . . . 51 ALA C . 25329 1 238 . 1 1 51 51 ALA CA C 13 51.500 0.2 . 1 . . . . 51 ALA CA . 25329 1 239 . 1 1 51 51 ALA CB C 13 23.735 0.2 . 1 . . . . 51 ALA CB . 25329 1 240 . 1 1 51 51 ALA N N 15 124.900 0.2 . 1 . . . . 51 ALA N . 25329 1 241 . 1 1 52 52 VAL H H 1 8.886 0.01 . 1 . . . . 52 VAL HN . 25329 1 242 . 1 1 52 52 VAL C C 13 175.430 0.2 . 1 . . . . 52 VAL C . 25329 1 243 . 1 1 52 52 VAL CA C 13 61.650 0.2 . 1 . . . . 52 VAL CA . 25329 1 244 . 1 1 52 52 VAL CB C 13 33.474 0.2 . 1 . . . . 52 VAL CB . 25329 1 245 . 1 1 52 52 VAL N N 15 119.123 0.2 . 1 . . . . 52 VAL N . 25329 1 246 . 1 1 53 53 LYS H H 1 8.521 0.01 . 1 . . . . 53 LYS HN . 25329 1 247 . 1 1 53 53 LYS C C 13 175.137 0.2 . 1 . . . . 53 LYS C . 25329 1 248 . 1 1 53 53 LYS CA C 13 54.228 0.2 . 1 . . . . 53 LYS CA . 25329 1 249 . 1 1 53 53 LYS CB C 13 35.144 0.2 . 1 . . . . 53 LYS CB . 25329 1 250 . 1 1 53 53 LYS N N 15 126.555 0.2 . 1 . . . . 53 LYS N . 25329 1 251 . 1 1 54 54 GLU H H 1 8.826 0.01 . 1 . . . . 54 GLU HN . 25329 1 252 . 1 1 54 54 GLU C C 13 175.880 0.2 . 1 . . . . 54 GLU C . 25329 1 253 . 1 1 54 54 GLU CA C 13 56.233 0.2 . 1 . . . . 54 GLU CA . 25329 1 254 . 1 1 54 54 GLU CB C 13 31.093 0.2 . 1 . . . . 54 GLU CB . 25329 1 255 . 1 1 54 54 GLU N N 15 123.595 0.2 . 1 . . . . 54 GLU N . 25329 1 256 . 1 1 55 55 ARG H H 1 9.026 0.01 . 1 . . . . 55 ARG HN . 25329 1 257 . 1 1 55 55 ARG C C 13 175.214 0.2 . 1 . . . . 55 ARG C . 25329 1 258 . 1 1 55 55 ARG CA C 13 55.155 0.2 . 1 . . . . 55 ARG CA . 25329 1 259 . 1 1 55 55 ARG CB C 13 31.672 0.2 . 1 . . . . 55 ARG CB . 25329 1 260 . 1 1 55 55 ARG N N 15 127.469 0.2 . 1 . . . . 55 ARG N . 25329 1 261 . 1 1 56 56 ALA H H 1 8.444 0.01 . 1 . . . . 56 ALA HN . 25329 1 262 . 1 1 56 56 ALA C C 13 177.919 0.2 . 1 . . . . 56 ALA C . 25329 1 263 . 1 1 56 56 ALA CA C 13 52.147 0.2 . 1 . . . . 56 ALA CA . 25329 1 264 . 1 1 56 56 ALA CB C 13 19.512 0.2 . 1 . . . . 56 ALA CB . 25329 1 265 . 1 1 56 56 ALA N N 15 127.308 0.2 . 1 . . . . 56 ALA N . 25329 1 266 . 1 1 57 57 ALA H H 1 8.651 0.01 . 1 . . . . 57 ALA HN . 25329 1 267 . 1 1 57 57 ALA C C 13 177.459 0.2 . 1 . . . . 57 ALA C . 25329 1 268 . 1 1 57 57 ALA CA C 13 52.713 0.2 . 1 . . . . 57 ALA CA . 25329 1 269 . 1 1 57 57 ALA CB C 13 19.340 0.2 . 1 . . . . 57 ALA CB . 25329 1 270 . 1 1 57 57 ALA N N 15 123.822 0.2 . 1 . . . . 57 ALA N . 25329 1 271 . 1 1 58 58 ARG H H 1 8.620 0.01 . 1 . . . . 58 ARG HN . 25329 1 272 . 1 1 58 58 ARG C C 13 174.794 0.2 . 1 . . . . 58 ARG C . 25329 1 273 . 1 1 58 58 ARG CA C 13 55.023 0.2 . 1 . . . . 58 ARG CA . 25329 1 274 . 1 1 58 58 ARG CB C 13 33.137 0.2 . 1 . . . . 58 ARG CB . 25329 1 275 . 1 1 58 58 ARG N N 15 119.273 0.2 . 1 . . . . 58 ARG N . 25329 1 276 . 1 1 59 59 THR H H 1 8.516 0.01 . 1 . . . . 59 THR HN . 25329 1 277 . 1 1 59 59 THR C C 13 174.582 0.2 . 1 . . . . 59 THR C . 25329 1 278 . 1 1 59 59 THR CA C 13 61.477 0.2 . 1 . . . . 59 THR CA . 25329 1 279 . 1 1 59 59 THR CB C 13 70.521 0.2 . 1 . . . . 59 THR CB . 25329 1 280 . 1 1 59 59 THR N N 15 116.381 0.2 . 1 . . . . 59 THR N . 25329 1 281 . 1 1 60 60 GLY H H 1 8.742 0.01 . 1 . . . . 60 GLY HN . 25329 1 282 . 1 1 60 60 GLY C C 13 172.534 0.2 . 1 . . . . 60 GLY C . 25329 1 283 . 1 1 60 60 GLY CA C 13 44.568 0.2 . 1 . . . . 60 GLY CA . 25329 1 284 . 1 1 60 60 GLY N N 15 112.785 0.2 . 1 . . . . 60 GLY N . 25329 1 285 . 1 1 61 61 ARG H H 1 8.533 0.01 . 1 . . . . 61 ARG HN . 25329 1 286 . 1 1 61 61 ARG C C 13 175.727 0.2 . 1 . . . . 61 ARG C . 25329 1 287 . 1 1 61 61 ARG CA C 13 54.741 0.2 . 1 . . . . 61 ARG CA . 25329 1 288 . 1 1 61 61 ARG CB C 13 32.642 0.2 . 1 . . . . 61 ARG CB . 25329 1 289 . 1 1 61 61 ARG N N 15 120.367 0.2 . 1 . . . . 61 ARG N . 25329 1 290 . 1 1 62 62 ASN H H 1 8.917 0.01 . 1 . . . . 62 ASN HN . 25329 1 291 . 1 1 62 62 ASN CA C 13 51.141 0.2 . 1 . . . . 62 ASN CA . 25329 1 292 . 1 1 62 62 ASN CB C 13 39.441 0.2 . 1 . . . . 62 ASN CB . 25329 1 293 . 1 1 62 62 ASN N N 15 125.818 0.2 . 1 . . . . 62 ASN N . 25329 1 294 . 1 1 63 63 PRO C C 13 177.617 0.2 . 1 . . . . 63 PRO C . 25329 1 295 . 1 1 63 63 PRO CA C 13 64.458 0.2 . 1 . . . . 63 PRO CA . 25329 1 296 . 1 1 63 63 PRO CB C 13 32.097 0.2 . 1 . . . . 63 PRO CB . 25329 1 297 . 1 1 64 64 GLN H H 1 8.279 0.01 . 1 . . . . 64 GLN HN . 25329 1 298 . 1 1 64 64 GLN C C 13 177.510 0.2 . 1 . . . . 64 GLN C . 25329 1 299 . 1 1 64 64 GLN CA C 13 57.999 0.2 . 1 . . . . 64 GLN CA . 25329 1 300 . 1 1 64 64 GLN CB C 13 29.420 0.2 . 1 . . . . 64 GLN CB . 25329 1 301 . 1 1 64 64 GLN N N 15 116.438 0.2 . 1 . . . . 64 GLN N . 25329 1 302 . 1 1 65 65 THR H H 1 7.688 0.01 . 1 . . . . 65 THR HN . 25329 1 303 . 1 1 65 65 THR C C 13 176.334 0.2 . 1 . . . . 65 THR C . 25329 1 304 . 1 1 65 65 THR CA C 13 61.398 0.2 . 1 . . . . 65 THR CA . 25329 1 305 . 1 1 65 65 THR CB C 13 70.855 0.2 . 1 . . . . 65 THR CB . 25329 1 306 . 1 1 65 65 THR N N 15 106.903 0.2 . 1 . . . . 65 THR N . 25329 1 307 . 1 1 66 66 GLY H H 1 8.544 0.01 . 1 . . . . 66 GLY HN . 25329 1 308 . 1 1 66 66 GLY C C 13 173.711 0.2 . 1 . . . . 66 GLY C . 25329 1 309 . 1 1 66 66 GLY CA C 13 45.595 0.2 . 1 . . . . 66 GLY CA . 25329 1 310 . 1 1 66 66 GLY N N 15 111.412 0.2 . 1 . . . . 66 GLY N . 25329 1 311 . 1 1 67 67 LYS H H 1 7.660 0.01 . 1 . . . . 67 LYS HN . 25329 1 312 . 1 1 67 67 LYS C C 13 176.073 0.2 . 1 . . . . 67 LYS C . 25329 1 313 . 1 1 67 67 LYS CA C 13 55.783 0.2 . 1 . . . . 67 LYS CA . 25329 1 314 . 1 1 67 67 LYS CB C 13 33.558 0.2 . 1 . . . . 67 LYS CB . 25329 1 315 . 1 1 67 67 LYS N N 15 119.877 0.2 . 1 . . . . 67 LYS N . 25329 1 316 . 1 1 68 68 GLU H H 1 8.702 0.01 . 1 . . . . 68 GLU HN . 25329 1 317 . 1 1 68 68 GLU C C 13 176.250 0.2 . 1 . . . . 68 GLU C . 25329 1 318 . 1 1 68 68 GLU CA C 13 57.122 0.2 . 1 . . . . 68 GLU CA . 25329 1 319 . 1 1 68 68 GLU CB C 13 30.629 0.2 . 1 . . . . 68 GLU CB . 25329 1 320 . 1 1 68 68 GLU N N 15 122.606 0.2 . 1 . . . . 68 GLU N . 25329 1 321 . 1 1 69 69 ILE H H 1 8.446 0.01 . 1 . . . . 69 ILE HN . 25329 1 322 . 1 1 69 69 ILE C C 13 174.970 0.2 . 1 . . . . 69 ILE C . 25329 1 323 . 1 1 69 69 ILE CA C 13 59.792 0.2 . 1 . . . . 69 ILE CA . 25329 1 324 . 1 1 69 69 ILE CB C 13 41.681 0.2 . 1 . . . . 69 ILE CB . 25329 1 325 . 1 1 69 69 ILE N N 15 121.549 0.2 . 1 . . . . 69 ILE N . 25329 1 326 . 1 1 70 70 THR H H 1 8.567 0.01 . 1 . . . . 70 THR HN . 25329 1 327 . 1 1 70 70 THR C C 13 173.933 0.2 . 1 . . . . 70 THR C . 25329 1 328 . 1 1 70 70 THR CA C 13 62.354 0.2 . 1 . . . . 70 THR CA . 25329 1 329 . 1 1 70 70 THR CB C 13 69.972 0.2 . 1 . . . . 70 THR CB . 25329 1 330 . 1 1 70 70 THR N N 15 119.815 0.2 . 1 . . . . 70 THR N . 25329 1 331 . 1 1 71 71 ILE H H 1 8.968 0.01 . 1 . . . . 71 ILE HN . 25329 1 332 . 1 1 71 71 ILE C C 13 175.027 0.2 . 1 . . . . 71 ILE C . 25329 1 333 . 1 1 71 71 ILE CA C 13 60.641 0.2 . 1 . . . . 71 ILE CA . 25329 1 334 . 1 1 71 71 ILE CB C 13 38.530 0.2 . 1 . . . . 71 ILE CB . 25329 1 335 . 1 1 71 71 ILE N N 15 129.540 0.2 . 1 . . . . 71 ILE N . 25329 1 336 . 1 1 72 72 ALA H H 1 8.373 0.01 . 1 . . . . 72 ALA HN . 25329 1 337 . 1 1 72 72 ALA C C 13 177.748 0.2 . 1 . . . . 72 ALA C . 25329 1 338 . 1 1 72 72 ALA CA C 13 52.365 0.2 . 1 . . . . 72 ALA CA . 25329 1 339 . 1 1 72 72 ALA CB C 13 19.506 0.2 . 1 . . . . 72 ALA CB . 25329 1 340 . 1 1 72 72 ALA N N 15 128.524 0.2 . 1 . . . . 72 ALA N . 25329 1 341 . 1 1 73 73 ALA H H 1 8.562 0.01 . 1 . . . . 73 ALA HN . 25329 1 342 . 1 1 73 73 ALA C C 13 177.083 0.2 . 1 . . . . 73 ALA C . 25329 1 343 . 1 1 73 73 ALA CA C 13 52.642 0.2 . 1 . . . . 73 ALA CA . 25329 1 344 . 1 1 73 73 ALA CB C 13 19.573 0.2 . 1 . . . . 73 ALA CB . 25329 1 345 . 1 1 73 73 ALA N N 15 123.605 0.2 . 1 . . . . 73 ALA N . 25329 1 346 . 1 1 74 74 ALA H H 1 8.398 0.01 . 1 . . . . 74 ALA HN . 25329 1 347 . 1 1 74 74 ALA C C 13 176.083 0.2 . 1 . . . . 74 ALA C . 25329 1 348 . 1 1 74 74 ALA CA C 13 51.754 0.2 . 1 . . . . 74 ALA CA . 25329 1 349 . 1 1 74 74 ALA CB C 13 22.312 0.2 . 1 . . . . 74 ALA CB . 25329 1 350 . 1 1 74 74 ALA N N 15 122.226 0.2 . 1 . . . . 74 ALA N . 25329 1 351 . 1 1 75 75 LYS H H 1 9.070 0.01 . 1 . . . . 75 LYS HN . 25329 1 352 . 1 1 75 75 LYS C C 13 176.796 0.2 . 1 . . . . 75 LYS C . 25329 1 353 . 1 1 75 75 LYS CA C 13 55.874 0.2 . 1 . . . . 75 LYS CA . 25329 1 354 . 1 1 75 75 LYS CB C 13 33.136 0.2 . 1 . . . . 75 LYS CB . 25329 1 355 . 1 1 75 75 LYS N N 15 120.770 0.2 . 1 . . . . 75 LYS N . 25329 1 356 . 1 1 76 76 VAL H H 1 9.120 0.01 . 1 . . . . 76 VAL HN . 25329 1 357 . 1 1 76 76 VAL CA C 13 58.973 0.2 . 1 . . . . 76 VAL CA . 25329 1 358 . 1 1 76 76 VAL CB C 13 34.907 0.2 . 1 . . . . 76 VAL CB . 25329 1 359 . 1 1 76 76 VAL N N 15 121.609 0.2 . 1 . . . . 76 VAL N . 25329 1 360 . 1 1 77 77 PRO C C 13 174.886 0.2 . 1 . . . . 77 PRO C . 25329 1 361 . 1 1 77 77 PRO CA C 13 62.379 0.2 . 1 . . . . 77 PRO CA . 25329 1 362 . 1 1 77 77 PRO CB C 13 31.827 0.2 . 1 . . . . 77 PRO CB . 25329 1 363 . 1 1 78 78 SER H H 1 9.263 0.01 . 1 . . . . 78 SER HN . 25329 1 364 . 1 1 78 78 SER C C 13 171.817 0.2 . 1 . . . . 78 SER C . 25329 1 365 . 1 1 78 78 SER CA C 13 57.317 0.2 . 1 . . . . 78 SER CA . 25329 1 366 . 1 1 78 78 SER CB C 13 66.581 0.2 . 1 . . . . 78 SER CB . 25329 1 367 . 1 1 78 78 SER N N 15 119.310 0.2 . 1 . . . . 78 SER N . 25329 1 368 . 1 1 79 79 PHE H H 1 8.645 0.01 . 1 . . . . 79 PHE HN . 25329 1 369 . 1 1 79 79 PHE C C 13 173.597 0.2 . 1 . . . . 79 PHE C . 25329 1 370 . 1 1 79 79 PHE CA C 13 55.656 0.2 . 1 . . . . 79 PHE CA . 25329 1 371 . 1 1 79 79 PHE CB C 13 43.578 0.2 . 1 . . . . 79 PHE CB . 25329 1 372 . 1 1 79 79 PHE N N 15 122.897 0.2 . 1 . . . . 79 PHE N . 25329 1 373 . 1 1 80 80 ARG H H 1 8.104 0.01 . 1 . . . . 80 ARG HN . 25329 1 374 . 1 1 80 80 ARG C C 13 174.666 0.2 . 1 . . . . 80 ARG C . 25329 1 375 . 1 1 80 80 ARG CA C 13 53.605 0.2 . 1 . . . . 80 ARG CA . 25329 1 376 . 1 1 80 80 ARG CB C 13 31.324 0.2 . 1 . . . . 80 ARG CB . 25329 1 377 . 1 1 80 80 ARG N N 15 128.120 0.2 . 1 . . . . 80 ARG N . 25329 1 378 . 1 1 81 81 ALA H H 1 8.592 0.01 . 1 . . . . 81 ALA HN . 25329 1 379 . 1 1 81 81 ALA C C 13 177.056 0.2 . 1 . . . . 81 ALA C . 25329 1 380 . 1 1 81 81 ALA CA C 13 52.516 0.2 . 1 . . . . 81 ALA CA . 25329 1 381 . 1 1 81 81 ALA CB C 13 20.069 0.2 . 1 . . . . 81 ALA CB . 25329 1 382 . 1 1 81 81 ALA N N 15 128.713 0.2 . 1 . . . . 81 ALA N . 25329 1 383 . 1 1 82 82 GLY H H 1 8.363 0.01 . 1 . . . . 82 GLY HN . 25329 1 384 . 1 1 82 82 GLY CA C 13 43.684 0.2 . 1 . . . . 82 GLY CA . 25329 1 385 . 1 1 82 82 GLY N N 15 110.849 0.2 . 1 . . . . 82 GLY N . 25329 1 386 . 1 1 83 83 LYS C C 13 177.521 0.2 . 1 . . . . 83 LYS C . 25329 1 387 . 1 1 83 83 LYS CA C 13 60.054 0.2 . 1 . . . . 83 LYS CA . 25329 1 388 . 1 1 83 83 LYS CB C 13 33.114 0.2 . 1 . . . . 83 LYS CB . 25329 1 389 . 1 1 84 84 ALA H H 1 8.331 0.01 . 1 . . . . 84 ALA HN . 25329 1 390 . 1 1 84 84 ALA C C 13 180.670 0.2 . 1 . . . . 84 ALA C . 25329 1 391 . 1 1 84 84 ALA CA C 13 55.193 0.2 . 1 . . . . 84 ALA CA . 25329 1 392 . 1 1 84 84 ALA CB C 13 17.790 0.2 . 1 . . . . 84 ALA CB . 25329 1 393 . 1 1 84 84 ALA N N 15 118.722 0.2 . 1 . . . . 84 ALA N . 25329 1 394 . 1 1 85 85 LEU H H 1 7.421 0.01 . 1 . . . . 85 LEU HN . 25329 1 395 . 1 1 85 85 LEU C C 13 177.840 0.2 . 1 . . . . 85 LEU C . 25329 1 396 . 1 1 85 85 LEU CA C 13 57.556 0.2 . 1 . . . . 85 LEU CA . 25329 1 397 . 1 1 85 85 LEU CB C 13 42.249 0.2 . 1 . . . . 85 LEU CB . 25329 1 398 . 1 1 85 85 LEU N N 15 119.481 0.2 . 1 . . . . 85 LEU N . 25329 1 399 . 1 1 86 86 LYS H H 1 7.891 0.01 . 1 . . . . 86 LYS HN . 25329 1 400 . 1 1 86 86 LYS C C 13 179.386 0.2 . 1 . . . . 86 LYS C . 25329 1 401 . 1 1 86 86 LYS CA C 13 60.825 0.2 . 1 . . . . 86 LYS CA . 25329 1 402 . 1 1 86 86 LYS CB C 13 32.055 0.2 . 1 . . . . 86 LYS CB . 25329 1 403 . 1 1 86 86 LYS N N 15 116.835 0.2 . 1 . . . . 86 LYS N . 25329 1 404 . 1 1 87 87 ASP H H 1 8.803 0.01 . 1 . . . . 87 ASP HN . 25329 1 405 . 1 1 87 87 ASP C C 13 178.925 0.2 . 1 . . . . 87 ASP C . 25329 1 406 . 1 1 87 87 ASP CA C 13 56.869 0.2 . 1 . . . . 87 ASP CA . 25329 1 407 . 1 1 87 87 ASP CB C 13 39.879 0.2 . 1 . . . . 87 ASP CB . 25329 1 408 . 1 1 87 87 ASP N N 15 118.368 0.2 . 1 . . . . 87 ASP N . 25329 1 409 . 1 1 88 88 ALA H H 1 7.760 0.01 . 1 . . . . 88 ALA HN . 25329 1 410 . 1 1 88 88 ALA C C 13 179.147 0.2 . 1 . . . . 88 ALA C . 25329 1 411 . 1 1 88 88 ALA CA C 13 54.542 0.2 . 1 . . . . 88 ALA CA . 25329 1 412 . 1 1 88 88 ALA CB C 13 19.459 0.2 . 1 . . . . 88 ALA CB . 25329 1 413 . 1 1 88 88 ALA N N 15 120.449 0.2 . 1 . . . . 88 ALA N . 25329 1 414 . 1 1 89 89 VAL H H 1 7.157 0.01 . 1 . . . . 89 VAL HN . 25329 1 415 . 1 1 89 89 VAL C C 13 173.961 0.2 . 1 . . . . 89 VAL C . 25329 1 416 . 1 1 89 89 VAL CA C 13 61.135 0.2 . 1 . . . . 89 VAL CA . 25329 1 417 . 1 1 89 89 VAL CB C 13 31.690 0.2 . 1 . . . . 89 VAL CB . 25329 1 418 . 1 1 89 89 VAL N N 15 106.628 0.2 . 1 . . . . 89 VAL N . 25329 1 419 . 1 1 90 90 ASN H H 1 7.261 0.01 . 1 . . . . 90 ASN HN . 25329 1 420 . 1 1 90 90 ASN CA C 13 55.382 0.2 . 1 . . . . 90 ASN CA . 25329 1 421 . 1 1 90 90 ASN CB C 13 42.388 0.2 . 1 . . . . 90 ASN CB . 25329 1 422 . 1 1 90 90 ASN N N 15 125.326 0.2 . 1 . . . . 90 ASN N . 25329 1 stop_ save_