data_15214 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15214 _Entry.Title ; MxiHCdelta5 backbone assignment ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-04-17 _Entry.Accession_date 2007-04-17 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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.Entry_ID 1 Lingling Zhang . . . 15214 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15214 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 50 15214 '15N chemical shifts' 63 15214 '1H chemical shifts' 63 15214 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 . . 2008-09-04 2007-04-17 update BMRB 'complete entry citation' 15214 1 . . 2007-09-12 2007-04-17 original author 'original release' 15214 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15214 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17827155 _Citation.Full_citation . _Citation.Title ; Identification of the MxiH needle protein residues responsible for anchoring invasion plasmid antigen D to the type III secretion needle tip ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'Journal of Biological Chemistry' _Citation.Journal_volume 282 _Citation.Journal_issue 44 _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 32144 _Citation.Page_last 32151 _Citation.Year 2007 _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.Entry_ID _Citation_author.Citation_ID 1 Lingling Zhang . . . 15214 1 2 Yu Wang . . . 15214 1 3 Andrew Olive . J. . 15214 1 4 Nathan Smith . D. . 15214 1 5 William Picking . D. . 15214 1 6 Roberto 'De Guzman' . N. . 15214 1 7 Wendy Picking . L. . 15214 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15214 _Assembly.ID 1 _Assembly.Name MxiH _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 MxiH 1 $MxiH A . yes native no no . . . 15214 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MxiH _Entity.Sf_category entity _Entity.Sf_framecode MxiH _Entity.Entry_ID 15214 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MxiH _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 ; MSVTVPNDDWTLSSLSETFD DGTQTLQGELTLALDKLAKN PSNPQLLAEYQSKLSEYTLY RNAQSNTVKVIKDVDAAILE HHHHHH ; _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 86 _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 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2CA5 . "Mxih Needle Protein Of Shigella Flexneri (Monomeric Form, Residues 1-78)" . . . . . 98.84 85 100.00 100.00 1.07e-53 . . . . 15214 1 2 no GB EGW99644 . "type III secretion apparatus needle protein [Escherichia coli G58-1]" . . . . . 93.02 98 97.50 100.00 3.05e-48 . . . . 15214 1 3 no REF WP_001381656 . "type III secretion system needle complex protein PrgI [Escherichia coli]" . . . . . 93.02 98 97.50 100.00 3.05e-48 . . . . 15214 1 4 no REF WP_052993805 . "protein MxiH, partial [Shigella sonnei]" . . . . . 67.44 58 100.00 100.00 2.82e-32 . . . . 15214 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15214 1 2 . SER . 15214 1 3 . VAL . 15214 1 4 . THR . 15214 1 5 . VAL . 15214 1 6 . PRO . 15214 1 7 . ASN . 15214 1 8 . ASP . 15214 1 9 . ASP . 15214 1 10 . TRP . 15214 1 11 . THR . 15214 1 12 . LEU . 15214 1 13 . SER . 15214 1 14 . SER . 15214 1 15 . LEU . 15214 1 16 . SER . 15214 1 17 . GLU . 15214 1 18 . THR . 15214 1 19 . PHE . 15214 1 20 . ASP . 15214 1 21 . ASP . 15214 1 22 . GLY . 15214 1 23 . THR . 15214 1 24 . GLN . 15214 1 25 . THR . 15214 1 26 . LEU . 15214 1 27 . GLN . 15214 1 28 . GLY . 15214 1 29 . GLU . 15214 1 30 . LEU . 15214 1 31 . THR . 15214 1 32 . LEU . 15214 1 33 . ALA . 15214 1 34 . LEU . 15214 1 35 . ASP . 15214 1 36 . LYS . 15214 1 37 . LEU . 15214 1 38 . ALA . 15214 1 39 . LYS . 15214 1 40 . ASN . 15214 1 41 . PRO . 15214 1 42 . SER . 15214 1 43 . ASN . 15214 1 44 . PRO . 15214 1 45 . GLN . 15214 1 46 . LEU . 15214 1 47 . LEU . 15214 1 48 . ALA . 15214 1 49 . GLU . 15214 1 50 . TYR . 15214 1 51 . GLN . 15214 1 52 . SER . 15214 1 53 . LYS . 15214 1 54 . LEU . 15214 1 55 . SER . 15214 1 56 . GLU . 15214 1 57 . TYR . 15214 1 58 . THR . 15214 1 59 . LEU . 15214 1 60 . TYR . 15214 1 61 . ARG . 15214 1 62 . ASN . 15214 1 63 . ALA . 15214 1 64 . GLN . 15214 1 65 . SER . 15214 1 66 . ASN . 15214 1 67 . THR . 15214 1 68 . VAL . 15214 1 69 . LYS . 15214 1 70 . VAL . 15214 1 71 . ILE . 15214 1 72 . LYS . 15214 1 73 . ASP . 15214 1 74 . VAL . 15214 1 75 . ASP . 15214 1 76 . ALA . 15214 1 77 . ALA . 15214 1 78 . ILE . 15214 1 79 . LEU . 15214 1 80 . GLU . 15214 1 81 . HIS . 15214 1 82 . HIS . 15214 1 83 . HIS . 15214 1 84 . HIS . 15214 1 85 . HIS . 15214 1 86 . HIS . 15214 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 15214 1 . SER 2 2 15214 1 . VAL 3 3 15214 1 . THR 4 4 15214 1 . VAL 5 5 15214 1 . PRO 6 6 15214 1 . ASN 7 7 15214 1 . ASP 8 8 15214 1 . ASP 9 9 15214 1 . TRP 10 10 15214 1 . THR 11 11 15214 1 . LEU 12 12 15214 1 . SER 13 13 15214 1 . SER 14 14 15214 1 . LEU 15 15 15214 1 . SER 16 16 15214 1 . GLU 17 17 15214 1 . THR 18 18 15214 1 . PHE 19 19 15214 1 . ASP 20 20 15214 1 . ASP 21 21 15214 1 . GLY 22 22 15214 1 . THR 23 23 15214 1 . GLN 24 24 15214 1 . THR 25 25 15214 1 . LEU 26 26 15214 1 . GLN 27 27 15214 1 . GLY 28 28 15214 1 . GLU 29 29 15214 1 . LEU 30 30 15214 1 . THR 31 31 15214 1 . LEU 32 32 15214 1 . ALA 33 33 15214 1 . LEU 34 34 15214 1 . ASP 35 35 15214 1 . LYS 36 36 15214 1 . LEU 37 37 15214 1 . ALA 38 38 15214 1 . LYS 39 39 15214 1 . ASN 40 40 15214 1 . PRO 41 41 15214 1 . SER 42 42 15214 1 . ASN 43 43 15214 1 . PRO 44 44 15214 1 . GLN 45 45 15214 1 . LEU 46 46 15214 1 . LEU 47 47 15214 1 . ALA 48 48 15214 1 . GLU 49 49 15214 1 . TYR 50 50 15214 1 . GLN 51 51 15214 1 . SER 52 52 15214 1 . LYS 53 53 15214 1 . LEU 54 54 15214 1 . SER 55 55 15214 1 . GLU 56 56 15214 1 . TYR 57 57 15214 1 . THR 58 58 15214 1 . LEU 59 59 15214 1 . TYR 60 60 15214 1 . ARG 61 61 15214 1 . ASN 62 62 15214 1 . ALA 63 63 15214 1 . GLN 64 64 15214 1 . SER 65 65 15214 1 . ASN 66 66 15214 1 . THR 67 67 15214 1 . VAL 68 68 15214 1 . LYS 69 69 15214 1 . VAL 70 70 15214 1 . ILE 71 71 15214 1 . LYS 72 72 15214 1 . ASP 73 73 15214 1 . VAL 74 74 15214 1 . ASP 75 75 15214 1 . ALA 76 76 15214 1 . ALA 77 77 15214 1 . ILE 78 78 15214 1 . LEU 79 79 15214 1 . GLU 80 80 15214 1 . HIS 81 81 15214 1 . HIS 82 82 15214 1 . HIS 83 83 15214 1 . HIS 84 84 15214 1 . HIS 85 85 15214 1 . HIS 86 86 15214 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 15214 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $MxiH . 623 organism . 'Shigella flexneri' 'Shigella flexneri' . . Bacteria . Shigella flexneri . . . . . . . . . . . . . . . . . . . . . 15214 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 15214 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $MxiH . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET22b . . . . . . 15214 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15214 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 MxiH '[U-13C; U-99% 15N]' . . 1 $MxiH . . 0.7 0.6 0.8 mM . . . . 15214 1 2 NaCl 'natural abundance' . . . . . . 10 . . mM . . . . 15214 1 3 'Na Phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 15214 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 15214 _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' 20 . mM 15214 1 pH 6 . pH 15214 1 pressure 1 . atm 15214 1 temperature 298 . K 15214 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15214 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15214 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15214 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15214 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15214 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 15214 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 15214 _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 . . . . . . . . . . . . . . . . 15214 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15214 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15214 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15214 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 15214 _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 external indirect 0.251449530 . . . . . . . . . 15214 1 H 1 DSS 'methyl protons' . . . . ppm 0 external indirect 1.0 . . . . . . . . . 15214 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 15214 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 15214 _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' . . . 15214 1 2 '3D HNCA' . . . 15214 1 3 '3D HNCACB' . . . 15214 1 4 '3D CBCA(CO)NH' . . . 15214 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 2 2 SER CA C 13 58.290 . . 1 . . . . 2 S CA . 15214 1 2 . 1 1 2 2 SER CB C 13 63.947 . . 1 . . . . 2 S CB . 15214 1 3 . 1 1 3 3 VAL H H 1 8.215 . . 1 . . . . 3 V HN . 15214 1 4 . 1 1 3 3 VAL CA C 13 62.075 . . 1 . . . . 3 V CA . 15214 1 5 . 1 1 3 3 VAL CB C 13 32.838 . . 1 . . . . 3 V CB . 15214 1 6 . 1 1 3 3 VAL N N 15 121.681 . . 1 . . . . 3 V N . 15214 1 7 . 1 1 4 4 THR H H 1 8.299 . . 1 . . . . 4 T HN . 15214 1 8 . 1 1 4 4 THR CA C 13 61.929 . . 1 . . . . 4 T CA . 15214 1 9 . 1 1 4 4 THR CB C 13 69.905 . . 1 . . . . 4 T CB . 15214 1 10 . 1 1 4 4 THR N N 15 119.460 . . 1 . . . . 4 T N . 15214 1 11 . 1 1 5 5 VAL H H 1 8.419 . . 1 . . . . 5 V HN . 15214 1 12 . 1 1 5 5 VAL CA C 13 59.621 . . 1 . . . . 5 V CA . 15214 1 13 . 1 1 5 5 VAL N N 15 125.086 . . 1 . . . . 5 V N . 15214 1 14 . 1 1 6 6 PRO CA C 13 63.294 . . 1 . . . . 6 P CA . 15214 1 15 . 1 1 6 6 PRO CB C 13 32.104 . . 1 . . . . 6 P CB . 15214 1 16 . 1 1 7 7 ASN H H 1 8.383 . . 1 . . . . 7 N HN . 15214 1 17 . 1 1 7 7 ASN CA C 13 53.253 . . 1 . . . . 7 N CA . 15214 1 18 . 1 1 7 7 ASN CB C 13 39.004 . . 1 . . . . 7 N CB . 15214 1 19 . 1 1 7 7 ASN N N 15 118.770 . . 1 . . . . 7 N N . 15214 1 20 . 1 1 8 8 ASP H H 1 8.244 . . 1 . . . . 8 D HN . 15214 1 21 . 1 1 8 8 ASP CA C 13 54.433 . . 1 . . . . 8 D CA . 15214 1 22 . 1 1 8 8 ASP CB C 13 41.066 . . 1 . . . . 8 D CB . 15214 1 23 . 1 1 8 8 ASP N N 15 120.477 . . 1 . . . . 8 D N . 15214 1 24 . 1 1 9 9 ASP H H 1 8.170 . . 1 . . . . 9 D HN . 15214 1 25 . 1 1 9 9 ASP CA C 13 54.510 . . 1 . . . . 9 D CA . 15214 1 26 . 1 1 9 9 ASP CB C 13 40.866 . . 1 . . . . 9 D CB . 15214 1 27 . 1 1 9 9 ASP N N 15 120.083 . . 1 . . . . 9 D N . 15214 1 28 . 1 1 10 10 TRP H H 1 8.088 . . 1 . . . . 10 W HN . 15214 1 29 . 1 1 10 10 TRP CA C 13 57.755 . . 1 . . . . 10 W CA . 15214 1 30 . 1 1 10 10 TRP CB C 13 29.073 . . 1 . . . . 10 W CB . 15214 1 31 . 1 1 10 10 TRP N N 15 121.933 . . 1 . . . . 10 W N . 15214 1 32 . 1 1 11 11 THR H H 1 7.927 . . 1 . . . . 11 T HN . 15214 1 33 . 1 1 11 11 THR CA C 13 62.627 . . 1 . . . . 11 T CA . 15214 1 34 . 1 1 11 11 THR CB C 13 69.782 . . 1 . . . . 11 T CB . 15214 1 35 . 1 1 11 11 THR N N 15 114.936 . . 1 . . . . 11 T N . 15214 1 36 . 1 1 12 12 LEU H H 1 7.948 . . 1 . . . . 12 L HN . 15214 1 37 . 1 1 12 12 LEU CA C 13 55.636 . . 1 . . . . 12 L CA . 15214 1 38 . 1 1 12 12 LEU CB C 13 42.058 . . 1 . . . . 12 L CB . 15214 1 39 . 1 1 12 12 LEU N N 15 122.996 . . 1 . . . . 12 L N . 15214 1 40 . 1 1 13 13 SER H H 1 8.141 . . 1 . . . . 13 S HN . 15214 1 41 . 1 1 13 13 SER CA C 13 58.948 . . 1 . . . . 13 S CA . 15214 1 42 . 1 1 13 13 SER CB C 13 63.728 . . 1 . . . . 13 S CB . 15214 1 43 . 1 1 13 13 SER N N 15 115.942 . . 1 . . . . 13 S N . 15214 1 44 . 1 1 14 14 SER H H 1 8.196 . . 1 . . . . 14 S HN . 15214 1 45 . 1 1 14 14 SER CA C 13 58.821 . . 1 . . . . 14 S CA . 15214 1 46 . 1 1 14 14 SER CB C 13 63.618 . . 1 . . . . 14 S CB . 15214 1 47 . 1 1 14 14 SER N N 15 117.547 . . 1 . . . . 14 S N . 15214 1 48 . 1 1 15 15 LEU H H 1 8.090 . . 1 . . . . 15 L HN . 15214 1 49 . 1 1 15 15 LEU CA C 13 55.530 . . 1 . . . . 15 L CA . 15214 1 50 . 1 1 15 15 LEU CB C 13 42.147 . . 1 . . . . 15 L CB . 15214 1 51 . 1 1 15 15 LEU N N 15 123.302 . . 1 . . . . 15 L N . 15214 1 52 . 1 1 16 16 SER H H 1 8.117 . . 1 . . . . 16 S HN . 15214 1 53 . 1 1 16 16 SER CA C 13 58.686 . . 1 . . . . 16 S CA . 15214 1 54 . 1 1 16 16 SER CB C 13 63.818 . . 1 . . . . 16 S CB . 15214 1 55 . 1 1 16 16 SER N N 15 115.625 . . 1 . . . . 16 S N . 15214 1 56 . 1 1 17 17 GLU H H 1 8.288 . . 1 . . . . 17 E HN . 15214 1 57 . 1 1 17 17 GLU CA C 13 56.775 . . 1 . . . . 17 E CA . 15214 1 58 . 1 1 17 17 GLU CB C 13 30.356 . . 1 . . . . 17 E CB . 15214 1 59 . 1 1 17 17 GLU N N 15 122.426 . . 1 . . . . 17 E N . 15214 1 60 . 1 1 18 18 THR H H 1 8.025 . . 1 . . . . 18 T HN . 15214 1 61 . 1 1 18 18 THR CA C 13 61.664 . . 1 . . . . 18 T CA . 15214 1 62 . 1 1 18 18 THR CB C 13 69.990 . . 1 . . . . 18 T CB . 15214 1 63 . 1 1 18 18 THR N N 15 114.339 . . 1 . . . . 18 T N . 15214 1 64 . 1 1 19 19 PHE H H 1 8.253 . . 1 . . . . 19 F HN . 15214 1 65 . 1 1 19 19 PHE CA C 13 57.596 . . 1 . . . . 19 F CA . 15214 1 66 . 1 1 19 19 PHE CB C 13 39.801 . . 1 . . . . 19 F CB . 15214 1 67 . 1 1 19 19 PHE N N 15 122.619 . . 1 . . . . 19 F N . 15214 1 68 . 1 1 20 20 ASP H H 1 8.291 . . 1 . . . . 20 D HN . 15214 1 69 . 1 1 20 20 ASP CA C 13 53.978 . . 1 . . . . 20 D CA . 15214 1 70 . 1 1 20 20 ASP CB C 13 41.627 . . 1 . . . . 20 D CB . 15214 1 71 . 1 1 20 20 ASP N N 15 122.650 . . 1 . . . . 20 D N . 15214 1 72 . 1 1 21 21 ASP H H 1 8.376 . . 1 . . . . 21 D HN . 15214 1 73 . 1 1 21 21 ASP CA C 13 54.973 . . 1 . . . . 21 D CA . 15214 1 74 . 1 1 21 21 ASP CB C 13 40.972 . . 1 . . . . 21 D CB . 15214 1 75 . 1 1 21 21 ASP N N 15 122.090 . . 1 . . . . 21 D N . 15214 1 76 . 1 1 22 22 GLY H H 1 8.578 . . 1 . . . . 22 G HN . 15214 1 77 . 1 1 22 22 GLY CA C 13 46.205 . . 1 . . . . 22 G CA . 15214 1 78 . 1 1 22 22 GLY N N 15 109.345 . . 1 . . . . 22 G N . 15214 1 79 . 1 1 23 23 THR H H 1 8.185 . . 1 . . . . 23 T HN . 15214 1 80 . 1 1 23 23 THR CA C 13 64.586 . . 1 . . . . 23 T CA . 15214 1 81 . 1 1 23 23 THR CB C 13 69.240 . . 1 . . . . 23 T CB . 15214 1 82 . 1 1 23 23 THR N N 15 115.130 . . 1 . . . . 23 T N . 15214 1 83 . 1 1 24 24 GLN H H 1 8.393 . . 1 . . . . 24 Q HN . 15214 1 84 . 1 1 24 24 GLN CA C 13 57.937 . . 1 . . . . 24 Q CA . 15214 1 85 . 1 1 24 24 GLN CB C 13 28.661 . . 1 . . . . 24 Q CB . 15214 1 86 . 1 1 24 24 GLN N N 15 121.692 . . 1 . . . . 24 Q N . 15214 1 87 . 1 1 25 25 THR H H 1 8.248 . . 1 . . . . 25 T HN . 15214 1 88 . 1 1 25 25 THR CA C 13 64.769 . . 1 . . . . 25 T CA . 15214 1 89 . 1 1 25 25 THR N N 15 116.370 . . 1 . . . . 25 T N . 15214 1 90 . 1 1 26 26 LEU H H 1 8.062 . . 1 . . . . 26 L HN . 15214 1 91 . 1 1 26 26 LEU CA C 13 57.871 . . 1 . . . . 26 L CA . 15214 1 92 . 1 1 26 26 LEU CB C 13 42.540 . . 1 . . . . 26 L CB . 15214 1 93 . 1 1 26 26 LEU N N 15 113.137 . . 1 . . . . 26 L N . 15214 1 94 . 1 1 27 27 GLN H H 1 8.621 . . 1 . . . . 27 Q HN . 15214 1 95 . 1 1 27 27 GLN CA C 13 59.275 . . 1 . . . . 27 Q CA . 15214 1 96 . 1 1 27 27 GLN N N 15 118.965 . . 1 . . . . 27 Q N . 15214 1 97 . 1 1 28 28 GLY H H 1 8.170 . . 1 . . . . 28 G HN . 15214 1 98 . 1 1 28 28 GLY CA C 13 47.054 . . 1 . . . . 28 G CA . 15214 1 99 . 1 1 28 28 GLY N N 15 108.444 . . 1 . . . . 28 G N . 15214 1 100 . 1 1 30 30 LEU H H 1 7.607 . . 1 . . . . 30 L HN . 15214 1 101 . 1 1 30 30 LEU N N 15 120.997 . . 1 . . . . 30 L N . 15214 1 102 . 1 1 31 31 THR H H 1 8.033 . . 1 . . . . 31 T HN . 15214 1 103 . 1 1 31 31 THR N N 15 122.680 . . 1 . . . . 31 T N . 15214 1 104 . 1 1 32 32 LEU H H 1 7.942 . . 1 . . . . 32 L HN . 15214 1 105 . 1 1 32 32 LEU N N 15 116.829 . . 1 . . . . 32 L N . 15214 1 106 . 1 1 33 33 ALA H H 1 7.957 . . 1 . . . . 33 A HN . 15214 1 107 . 1 1 33 33 ALA N N 15 120.740 . . 1 . . . . 33 A N . 15214 1 108 . 1 1 34 34 LEU H H 1 8.572 . . 1 . . . . 34 L HN . 15214 1 109 . 1 1 34 34 LEU N N 15 122.026 . . 1 . . . . 34 L N . 15214 1 110 . 1 1 36 36 LYS H H 1 8.091 . . 1 . . . . 36 K HN . 15214 1 111 . 1 1 36 36 LYS N N 15 120.083 . . 1 . . . . 36 K N . 15214 1 112 . 1 1 37 37 LEU H H 1 8.685 . . 1 . . . . 37 L HN . 15214 1 113 . 1 1 37 37 LEU N N 15 121.866 . . 1 . . . . 37 L N . 15214 1 114 . 1 1 38 38 ALA H H 1 7.788 . . 1 . . . . 38 A HN . 15214 1 115 . 1 1 38 38 ALA N N 15 122.060 . . 1 . . . . 38 A N . 15214 1 116 . 1 1 39 39 LYS H H 1 7.144 . . 1 . . . . 39 K HN . 15214 1 117 . 1 1 39 39 LYS N N 15 113.918 . . 1 . . . . 39 K N . 15214 1 118 . 1 1 40 40 ASN H H 1 7.486 . . 1 . . . . 40 N HN . 15214 1 119 . 1 1 40 40 ASN N N 15 116.101 . . 1 . . . . 40 N N . 15214 1 120 . 1 1 42 42 SER H H 1 8.279 . . 1 . . . . 42 S HN . 15214 1 121 . 1 1 42 42 SER N N 15 114.947 . . 1 . . . . 42 S N . 15214 1 122 . 1 1 43 43 ASN H H 1 7.533 . . 1 . . . . 43 N HN . 15214 1 123 . 1 1 43 43 ASN N N 15 122.815 . . 1 . . . . 43 N N . 15214 1 124 . 1 1 45 45 GLN H H 1 7.931 . . 1 . . . . 45 Q HN . 15214 1 125 . 1 1 45 45 GLN N N 15 120.430 . . 1 . . . . 45 Q N . 15214 1 126 . 1 1 47 47 LEU H H 1 8.332 . . 1 . . . . 47 L HN . 15214 1 127 . 1 1 47 47 LEU N N 15 120.982 . . 1 . . . . 47 L N . 15214 1 128 . 1 1 48 48 ALA H H 1 8.174 . . 1 . . . . 48 A HN . 15214 1 129 . 1 1 48 48 ALA N N 15 118.532 . . 1 . . . . 48 A N . 15214 1 130 . 1 1 50 50 TYR H H 1 7.920 . . 1 . . . . 50 Y HN . 15214 1 131 . 1 1 50 50 TYR N N 15 119.936 . . 1 . . . . 50 Y N . 15214 1 132 . 1 1 51 51 GLN H H 1 8.631 . . 1 . . . . 51 Q HN . 15214 1 133 . 1 1 51 51 GLN N N 15 117.403 . . 1 . . . . 51 Q N . 15214 1 134 . 1 1 54 54 LEU H H 1 8.431 . . 1 . . . . 54 L HN . 15214 1 135 . 1 1 54 54 LEU N N 15 123.450 . . 1 . . . . 54 L N . 15214 1 136 . 1 1 56 56 GLU H H 1 7.978 . . 1 . . . . 56 E HN . 15214 1 137 . 1 1 56 56 GLU N N 15 121.745 . . 1 . . . . 56 E N . 15214 1 138 . 1 1 57 57 TYR H H 1 8.639 . . 1 . . . . 57 Y HN . 15214 1 139 . 1 1 57 57 TYR N N 15 120.158 . . 1 . . . . 57 Y N . 15214 1 140 . 1 1 58 58 THR H H 1 8.561 . . 1 . . . . 58 T HN . 15214 1 141 . 1 1 58 58 THR N N 15 115.888 . . 1 . . . . 58 T N . 15214 1 142 . 1 1 60 60 TYR H H 1 7.821 . . 1 . . . . 60 Y HN . 15214 1 143 . 1 1 60 60 TYR CA C 13 60.881 . . 1 . . . . 60 Y CA . 15214 1 144 . 1 1 60 60 TYR N N 15 120.445 . . 1 . . . . 60 Y N . 15214 1 145 . 1 1 61 61 ARG H H 1 8.391 . . 1 . . . . 61 R HN . 15214 1 146 . 1 1 61 61 ARG N N 15 125.882 . . 1 . . . . 61 R N . 15214 1 147 . 1 1 62 62 ASN H H 1 8.137 . . 1 . . . . 62 N HN . 15214 1 148 . 1 1 62 62 ASN N N 15 117.929 . . 1 . . . . 62 N N . 15214 1 149 . 1 1 63 63 ALA H H 1 7.747 . . 1 . . . . 63 A HN . 15214 1 150 . 1 1 63 63 ALA N N 15 122.610 . . 1 . . . . 63 A N . 15214 1 151 . 1 1 64 64 GLN H H 1 7.818 . . 1 . . . . 64 Q HN . 15214 1 152 . 1 1 64 64 GLN N N 15 117.421 . . 1 . . . . 64 Q N . 15214 1 153 . 1 1 65 65 SER H H 1 7.969 . . 1 . . . . 65 S HN . 15214 1 154 . 1 1 65 65 SER N N 15 115.130 . . 1 . . . . 65 S N . 15214 1 155 . 1 1 66 66 ASN H H 1 8.214 . . 1 . . . . 66 N HN . 15214 1 156 . 1 1 66 66 ASN N N 15 115.847 . . 1 . . . . 66 N N . 15214 1 157 . 1 1 67 67 THR H H 1 7.946 . . 1 . . . . 67 T HN . 15214 1 158 . 1 1 67 67 THR N N 15 114.142 . . 1 . . . . 67 T N . 15214 1 159 . 1 1 68 68 VAL H H 1 8.212 . . 1 . . . . 68 V HN . 15214 1 160 . 1 1 68 68 VAL N N 15 124.402 . . 1 . . . . 68 V N . 15214 1 161 . 1 1 70 70 VAL H H 1 8.152 . . 1 . . . . 70 V HN . 15214 1 162 . 1 1 70 70 VAL N N 15 122.479 . . 1 . . . . 70 V N . 15214 1 163 . 1 1 71 71 ILE H H 1 8.276 . . 1 . . . . 71 I HN . 15214 1 164 . 1 1 71 71 ILE N N 15 125.779 . . 1 . . . . 71 I N . 15214 1 165 . 1 1 72 72 LYS H H 1 8.392 . . 1 . . . . 72 K HN . 15214 1 166 . 1 1 72 72 LYS N N 15 125.939 . . 1 . . . . 72 K N . 15214 1 167 . 1 1 73 73 ASP H H 1 8.329 . . 1 . . . . 73 D HN . 15214 1 168 . 1 1 73 73 ASP N N 15 121.980 . . 1 . . . . 73 D N . 15214 1 169 . 1 1 75 75 ASP H H 1 8.545 . . 1 . . . . 75 D HN . 15214 1 170 . 1 1 75 75 ASP N N 15 119.147 . . 1 . . . . 75 D N . 15214 1 171 . 1 1 76 76 ALA H H 1 8.142 . . 1 . . . . 76 A HN . 15214 1 172 . 1 1 76 76 ALA N N 15 124.494 . . 1 . . . . 76 A N . 15214 1 173 . 1 1 77 77 ALA H H 1 8.160 . . 1 . . . . 77 A HN . 15214 1 174 . 1 1 77 77 ALA N N 15 121.493 . . 1 . . . . 77 A N . 15214 1 175 . 1 1 78 78 ILE H H 1 7.789 . . 1 . . . . 78 I HN . 15214 1 176 . 1 1 78 78 ILE N N 15 118.656 . . 1 . . . . 78 I N . 15214 1 stop_ save_