data_15101 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15101 _Entry.Title ; Backbone 1H, 15N, and 13C Resonance Assignment and Secondary Structure Prediction of HP0495 from Helicobacter pylori ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-01-18 _Entry.Accession_date 2007-01-18 _Entry.Last_release_date 2007-05-21 _Entry.Original_release_date 2007-05-21 _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 Min-Duk Seo . . . 15101 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15101 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 246 15101 '15N chemical shifts' 80 15101 '1H chemical shifts' 159 15101 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-05-21 2007-01-18 original author . 15101 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15101 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17373705 _Citation.Full_citation . _Citation.Title 'Solution structure of hypothetical protein, HP0495 (Y495_HELPY) from Helicobacter pylori' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 67 _Citation.Journal_issue 4 _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 1189 _Citation.Page_last 1192 _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 Min-Duk Seo . . . 15101 1 2 'Sung Jean' Park . . . 15101 1 3 Hyun-Jung Kim . . . 15101 1 4 Bong-Jin Lee . . . 15101 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15101 _Assembly.ID 1 _Assembly.Name monomer _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 HP0495 1 $HP0495 A . yes native no no . . . 15101 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HP0495 _Entity.Sf_category entity _Entity.Sf_framecode HP0495 _Entity.Entry_ID 15101 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HP0495 _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 ; MPSDSKKPTIIYPCLWDYRV IMTTKDTSTLKELLETYQRP FKLEFKNTSKNAKFYSFNVS MEVSNESERNEIFQKISQLD KVVQTL ; _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 unknown _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 BMRB 15190 . HP0495 . . . . . 100.00 91 100.00 100.00 1.14e-54 . . . . 15101 1 2 no PDB 2H9Z . "Solution Structure Of Hypothetical Protein, Hp0495 From Helicobacter Pylori" . . . . . 100.00 86 100.00 100.00 2.29e-54 . . . . 15101 1 3 no PDB 2JOQ . "Solution Structure Of Protein Hp0495 From H. Pylori; Northeast Structural Genomics Consortium Target Pt2; Ontario Centre For St" . . . . . 100.00 91 100.00 100.00 1.14e-54 . . . . 15101 1 4 no GB AAD07569 . "predicted coding region HP0495 [Helicobacter pylori 26695]" . . . . . 100.00 86 100.00 100.00 2.29e-54 . . . . 15101 1 5 no GB ADU82921 . "hypothetical protein HPLT_02450 [Helicobacter pylori Lithuania75]" . . . . . 100.00 86 97.67 97.67 6.42e-53 . . . . 15101 1 6 no GB AFV41714 . "hypothetical protein C694_02545 [Helicobacter pylori 26695]" . . . . . 100.00 86 100.00 100.00 2.29e-54 . . . . 15101 1 7 no GB AFV43308 . "hypothetical protein C695_02545 [Helicobacter pylori Rif1]" . . . . . 100.00 86 100.00 100.00 2.29e-54 . . . . 15101 1 8 no GB AFV44901 . "hypothetical protein C730_02545 [Helicobacter pylori Rif2]" . . . . . 100.00 86 100.00 100.00 2.29e-54 . . . . 15101 1 9 no REF NP_207292 . "hypothetical protein HP0495 [Helicobacter pylori 26695]" . . . . . 100.00 86 100.00 100.00 2.29e-54 . . . . 15101 1 10 no REF WP_001138777 . "hypothetical protein [Helicobacter pylori]" . . . . . 100.00 86 100.00 100.00 2.29e-54 . . . . 15101 1 11 no REF WP_001138778 . "hypothetical protein [Helicobacter pylori]" . . . . . 100.00 86 97.67 97.67 6.42e-53 . . . . 15101 1 12 no SP O25237 . "RecName: Full=Uncharacterized protein HP_0495" . . . . . 100.00 86 100.00 100.00 2.29e-54 . . . . 15101 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 . 15101 1 2 . PRO . 15101 1 3 . SER . 15101 1 4 . ASP . 15101 1 5 . SER . 15101 1 6 . LYS . 15101 1 7 . LYS . 15101 1 8 . PRO . 15101 1 9 . THR . 15101 1 10 . ILE . 15101 1 11 . ILE . 15101 1 12 . TYR . 15101 1 13 . PRO . 15101 1 14 . CYS . 15101 1 15 . LEU . 15101 1 16 . TRP . 15101 1 17 . ASP . 15101 1 18 . TYR . 15101 1 19 . ARG . 15101 1 20 . VAL . 15101 1 21 . ILE . 15101 1 22 . MET . 15101 1 23 . THR . 15101 1 24 . THR . 15101 1 25 . LYS . 15101 1 26 . ASP . 15101 1 27 . THR . 15101 1 28 . SER . 15101 1 29 . THR . 15101 1 30 . LEU . 15101 1 31 . LYS . 15101 1 32 . GLU . 15101 1 33 . LEU . 15101 1 34 . LEU . 15101 1 35 . GLU . 15101 1 36 . THR . 15101 1 37 . TYR . 15101 1 38 . GLN . 15101 1 39 . ARG . 15101 1 40 . PRO . 15101 1 41 . PHE . 15101 1 42 . LYS . 15101 1 43 . LEU . 15101 1 44 . GLU . 15101 1 45 . PHE . 15101 1 46 . LYS . 15101 1 47 . ASN . 15101 1 48 . THR . 15101 1 49 . SER . 15101 1 50 . LYS . 15101 1 51 . ASN . 15101 1 52 . ALA . 15101 1 53 . LYS . 15101 1 54 . PHE . 15101 1 55 . TYR . 15101 1 56 . SER . 15101 1 57 . PHE . 15101 1 58 . ASN . 15101 1 59 . VAL . 15101 1 60 . SER . 15101 1 61 . MET . 15101 1 62 . GLU . 15101 1 63 . VAL . 15101 1 64 . SER . 15101 1 65 . ASN . 15101 1 66 . GLU . 15101 1 67 . SER . 15101 1 68 . GLU . 15101 1 69 . ARG . 15101 1 70 . ASN . 15101 1 71 . GLU . 15101 1 72 . ILE . 15101 1 73 . PHE . 15101 1 74 . GLN . 15101 1 75 . LYS . 15101 1 76 . ILE . 15101 1 77 . SER . 15101 1 78 . GLN . 15101 1 79 . LEU . 15101 1 80 . ASP . 15101 1 81 . LYS . 15101 1 82 . VAL . 15101 1 83 . VAL . 15101 1 84 . GLN . 15101 1 85 . THR . 15101 1 86 . LEU . 15101 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 15101 1 . PRO 2 2 15101 1 . SER 3 3 15101 1 . ASP 4 4 15101 1 . SER 5 5 15101 1 . LYS 6 6 15101 1 . LYS 7 7 15101 1 . PRO 8 8 15101 1 . THR 9 9 15101 1 . ILE 10 10 15101 1 . ILE 11 11 15101 1 . TYR 12 12 15101 1 . PRO 13 13 15101 1 . CYS 14 14 15101 1 . LEU 15 15 15101 1 . TRP 16 16 15101 1 . ASP 17 17 15101 1 . TYR 18 18 15101 1 . ARG 19 19 15101 1 . VAL 20 20 15101 1 . ILE 21 21 15101 1 . MET 22 22 15101 1 . THR 23 23 15101 1 . THR 24 24 15101 1 . LYS 25 25 15101 1 . ASP 26 26 15101 1 . THR 27 27 15101 1 . SER 28 28 15101 1 . THR 29 29 15101 1 . LEU 30 30 15101 1 . LYS 31 31 15101 1 . GLU 32 32 15101 1 . LEU 33 33 15101 1 . LEU 34 34 15101 1 . GLU 35 35 15101 1 . THR 36 36 15101 1 . TYR 37 37 15101 1 . GLN 38 38 15101 1 . ARG 39 39 15101 1 . PRO 40 40 15101 1 . PHE 41 41 15101 1 . LYS 42 42 15101 1 . LEU 43 43 15101 1 . GLU 44 44 15101 1 . PHE 45 45 15101 1 . LYS 46 46 15101 1 . ASN 47 47 15101 1 . THR 48 48 15101 1 . SER 49 49 15101 1 . LYS 50 50 15101 1 . ASN 51 51 15101 1 . ALA 52 52 15101 1 . LYS 53 53 15101 1 . PHE 54 54 15101 1 . TYR 55 55 15101 1 . SER 56 56 15101 1 . PHE 57 57 15101 1 . ASN 58 58 15101 1 . VAL 59 59 15101 1 . SER 60 60 15101 1 . MET 61 61 15101 1 . GLU 62 62 15101 1 . VAL 63 63 15101 1 . SER 64 64 15101 1 . ASN 65 65 15101 1 . GLU 66 66 15101 1 . SER 67 67 15101 1 . GLU 68 68 15101 1 . ARG 69 69 15101 1 . ASN 70 70 15101 1 . GLU 71 71 15101 1 . ILE 72 72 15101 1 . PHE 73 73 15101 1 . GLN 74 74 15101 1 . LYS 75 75 15101 1 . ILE 76 76 15101 1 . SER 77 77 15101 1 . GLN 78 78 15101 1 . LEU 79 79 15101 1 . ASP 80 80 15101 1 . LYS 81 81 15101 1 . VAL 82 82 15101 1 . VAL 83 83 15101 1 . GLN 84 84 15101 1 . THR 85 85 15101 1 . LEU 86 86 15101 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 15101 _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 $HP0495 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 15101 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 15101 _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 $HP0495 . 'recombinant technology' 'Escherichia coli' . . . . . . . . . . . . . . . . . . . . . pET21a . . . . . . 15101 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15101 _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 HP0495 '[U-99% 13C; U-99% 15N]' . . 1 $HP0495 . . 1.2 . . mM . . . . 15101 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 15101 _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' 0.15 . M 15101 1 pH 6 . pH 15101 1 pressure 1 . atm 15101 1 temperature 308 . K 15101 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15101 _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' . . 15101 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15101 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 15101 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15101 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 15101 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 15101 _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 . . . . . . . . . . . . . . . . 15101 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15101 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15101 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15101 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15101 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15101 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15101 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15101 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15101 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 15101 _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 . . . . . . . . . 15101 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . . . . . 15101 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 15101 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 15101 _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' . . . 15101 1 2 '3D HNCO' . . . 15101 1 3 '3D HNCA' . . . 15101 1 4 '3D HNCACB' . . . 15101 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 3 3 SER HA H 1 4.571 0.02 . 1 . . . . 3 SER HA . 15101 1 2 . 1 1 3 3 SER C C 13 174.088 0.2 . 1 . . . . 3 SER C . 15101 1 3 . 1 1 3 3 SER CA C 13 58.65 0.2 . 1 . . . . 3 SER CA . 15101 1 4 . 1 1 3 3 SER CB C 13 64.031 0.2 . 1 . . . . 3 SER CB . 15101 1 5 . 1 1 4 4 ASP H H 1 8.44 0.02 . 1 . . . . 4 ASP H . 15101 1 6 . 1 1 4 4 ASP HA H 1 4.703 0.02 . 1 . . . . 4 ASP HA . 15101 1 7 . 1 1 4 4 ASP CA C 13 54.365 0.2 . 1 . . . . 4 ASP CA . 15101 1 8 . 1 1 4 4 ASP CB C 13 41.507 0.2 . 1 . . . . 4 ASP CB . 15101 1 9 . 1 1 4 4 ASP N N 15 123.444 0.2 . 1 . . . . 4 ASP N . 15101 1 10 . 1 1 5 5 SER H H 1 8.228 0.02 . 1 . . . . 5 SER H . 15101 1 11 . 1 1 5 5 SER C C 13 174.629 0.2 . 1 . . . . 5 SER C . 15101 1 12 . 1 1 5 5 SER CA C 13 58.722 0.2 . 1 . . . . 5 SER CA . 15101 1 13 . 1 1 5 5 SER CB C 13 63.974 0.2 . 1 . . . . 5 SER CB . 15101 1 14 . 1 1 5 5 SER N N 15 117.21 0.2 . 1 . . . . 5 SER N . 15101 1 15 . 1 1 6 6 LYS H H 1 8.268 0.02 . 1 . . . . 6 LYS H . 15101 1 16 . 1 1 6 6 LYS HA H 1 4.367 0.02 . 1 . . . . 6 LYS HA . 15101 1 17 . 1 1 6 6 LYS C C 13 177.048 0.2 . 1 . . . . 6 LYS C . 15101 1 18 . 1 1 6 6 LYS CA C 13 56.325 0.2 . 1 . . . . 6 LYS CA . 15101 1 19 . 1 1 6 6 LYS CB C 13 32.969 0.2 . 1 . . . . 6 LYS CB . 15101 1 20 . 1 1 6 6 LYS N N 15 123.787 0.2 . 1 . . . . 6 LYS N . 15101 1 21 . 1 1 7 7 LYS H H 1 8.169 0.02 . 1 . . . . 7 LYS H . 15101 1 22 . 1 1 7 7 LYS HA H 1 4.669 0.02 . 1 . . . . 7 LYS HA . 15101 1 23 . 1 1 7 7 LYS CA C 13 54.313 0.2 . 1 . . . . 7 LYS CA . 15101 1 24 . 1 1 7 7 LYS CB C 13 32.809 0.2 . 1 . . . . 7 LYS CB . 15101 1 25 . 1 1 7 7 LYS N N 15 124.601 0.2 . 1 . . . . 7 LYS N . 15101 1 26 . 1 1 8 8 PRO C C 13 176.866 0.2 . 1 . . . . 8 PRO C . 15101 1 27 . 1 1 8 8 PRO CA C 13 63.266 0.2 . 1 . . . . 8 PRO CA . 15101 1 28 . 1 1 8 8 PRO CB C 13 32.379 0.2 . 1 . . . . 8 PRO CB . 15101 1 29 . 1 1 9 9 THR H H 1 8.241 0.02 . 1 . . . . 9 THR H . 15101 1 30 . 1 1 9 9 THR HA H 1 4.206 0.02 . 1 . . . . 9 THR HA . 15101 1 31 . 1 1 9 9 THR C C 13 174.095 0.2 . 1 . . . . 9 THR C . 15101 1 32 . 1 1 9 9 THR CA C 13 62.431 0.2 . 1 . . . . 9 THR CA . 15101 1 33 . 1 1 9 9 THR CB C 13 70.06 0.2 . 1 . . . . 9 THR CB . 15101 1 34 . 1 1 9 9 THR N N 15 117.229 0.2 . 1 . . . . 9 THR N . 15101 1 35 . 1 1 10 10 ILE H H 1 8.083 0.02 . 1 . . . . 10 ILE H . 15101 1 36 . 1 1 10 10 ILE HA H 1 4.053 0.02 . 1 . . . . 10 ILE HA . 15101 1 37 . 1 1 10 10 ILE C C 13 174.762 0.2 . 1 . . . . 10 ILE C . 15101 1 38 . 1 1 10 10 ILE CA C 13 60.86 0.2 . 1 . . . . 10 ILE CA . 15101 1 39 . 1 1 10 10 ILE CB C 13 39.014 0.2 . 1 . . . . 10 ILE CB . 15101 1 40 . 1 1 10 10 ILE N N 15 126.892 0.2 . 1 . . . . 10 ILE N . 15101 1 41 . 1 1 11 11 ILE H H 1 7.874 0.02 . 1 . . . . 11 ILE H . 15101 1 42 . 1 1 11 11 ILE HA H 1 4.198 0.02 . 1 . . . . 11 ILE HA . 15101 1 43 . 1 1 11 11 ILE C C 13 174.441 0.2 . 1 . . . . 11 ILE C . 15101 1 44 . 1 1 11 11 ILE CA C 13 60.086 0.2 . 1 . . . . 11 ILE CA . 15101 1 45 . 1 1 11 11 ILE CB C 13 38.917 0.2 . 1 . . . . 11 ILE CB . 15101 1 46 . 1 1 11 11 ILE N N 15 128.127 0.2 . 1 . . . . 11 ILE N . 15101 1 47 . 1 1 12 12 TYR H H 1 8.134 0.02 . 1 . . . . 12 TYR H . 15101 1 48 . 1 1 12 12 TYR HA H 1 4.411 0.02 . 1 . . . . 12 TYR HA . 15101 1 49 . 1 1 12 12 TYR CA C 13 56.627 0.2 . 1 . . . . 12 TYR CA . 15101 1 50 . 1 1 12 12 TYR CB C 13 40.185 0.2 . 1 . . . . 12 TYR CB . 15101 1 51 . 1 1 12 12 TYR N N 15 124.331 0.2 . 1 . . . . 12 TYR N . 15101 1 52 . 1 1 13 13 PRO HA H 1 5.237 0.02 . 1 . . . . 13 PRO HA . 15101 1 53 . 1 1 13 13 PRO C C 13 175.542 0.2 . 1 . . . . 13 PRO C . 15101 1 54 . 1 1 13 13 PRO CA C 13 62.737 0.2 . 1 . . . . 13 PRO CA . 15101 1 55 . 1 1 13 13 PRO CB C 13 36.192 0.2 . 1 . . . . 13 PRO CB . 15101 1 56 . 1 1 14 14 CYS H H 1 8.61 0.02 . 1 . . . . 14 CYS H . 15101 1 57 . 1 1 14 14 CYS HA H 1 5.053 0.02 . 1 . . . . 14 CYS HA . 15101 1 58 . 1 1 14 14 CYS C C 13 172.537 0.2 . 1 . . . . 14 CYS C . 15101 1 59 . 1 1 14 14 CYS CA C 13 55.857 0.2 . 1 . . . . 14 CYS CA . 15101 1 60 . 1 1 14 14 CYS CB C 13 31.178 0.2 . 1 . . . . 14 CYS CB . 15101 1 61 . 1 1 14 14 CYS N N 15 115.644 0.2 . 1 . . . . 14 CYS N . 15101 1 62 . 1 1 15 15 LEU H H 1 8.416 0.02 . 1 . . . . 15 LEU H . 15101 1 63 . 1 1 15 15 LEU HA H 1 4.49 0.02 . 1 . . . . 15 LEU HA . 15101 1 64 . 1 1 15 15 LEU C C 13 175.351 0.2 . 1 . . . . 15 LEU C . 15101 1 65 . 1 1 15 15 LEU CA C 13 55.551 0.2 . 1 . . . . 15 LEU CA . 15101 1 66 . 1 1 15 15 LEU CB C 13 42.05 0.2 . 1 . . . . 15 LEU CB . 15101 1 67 . 1 1 15 15 LEU N N 15 122.938 0.2 . 1 . . . . 15 LEU N . 15101 1 68 . 1 1 16 16 TRP H H 1 9.1 0.02 . 1 . . . . 16 TRP H . 15101 1 69 . 1 1 16 16 TRP HA H 1 4.424 0.02 . 1 . . . . 16 TRP HA . 15101 1 70 . 1 1 16 16 TRP C C 13 173.077 0.2 . 1 . . . . 16 TRP C . 15101 1 71 . 1 1 16 16 TRP CA C 13 56.612 0.2 . 1 . . . . 16 TRP CA . 15101 1 72 . 1 1 16 16 TRP CB C 13 33.814 0.2 . 1 . . . . 16 TRP CB . 15101 1 73 . 1 1 16 16 TRP N N 15 130.776 0.2 . 1 . . . . 16 TRP N . 15101 1 74 . 1 1 17 17 ASP H H 1 6.341 0.02 . 1 . . . . 17 ASP H . 15101 1 75 . 1 1 17 17 ASP HA H 1 5.706 0.02 . 1 . . . . 17 ASP HA . 15101 1 76 . 1 1 17 17 ASP C C 13 175.173 0.2 . 1 . . . . 17 ASP C . 15101 1 77 . 1 1 17 17 ASP CA C 13 52.681 0.2 . 1 . . . . 17 ASP CA . 15101 1 78 . 1 1 17 17 ASP CB C 13 43.155 0.2 . 1 . . . . 17 ASP CB . 15101 1 79 . 1 1 17 17 ASP N N 15 123.817 0.2 . 1 . . . . 17 ASP N . 15101 1 80 . 1 1 18 18 TYR H H 1 9.613 0.02 . 1 . . . . 18 TYR H . 15101 1 81 . 1 1 18 18 TYR HA H 1 4.931 0.02 . 1 . . . . 18 TYR HA . 15101 1 82 . 1 1 18 18 TYR C C 13 174.924 0.2 . 1 . . . . 18 TYR C . 15101 1 83 . 1 1 18 18 TYR CA C 13 57.269 0.2 . 1 . . . . 18 TYR CA . 15101 1 84 . 1 1 18 18 TYR CB C 13 40.674 0.2 . 1 . . . . 18 TYR CB . 15101 1 85 . 1 1 18 18 TYR N N 15 122.693 0.2 . 1 . . . . 18 TYR N . 15101 1 86 . 1 1 19 19 ARG H H 1 9.268 0.02 . 1 . . . . 19 ARG H . 15101 1 87 . 1 1 19 19 ARG HA H 1 5.282 0.02 . 1 . . . . 19 ARG HA . 15101 1 88 . 1 1 19 19 ARG C C 13 175.01 0.2 . 1 . . . . 19 ARG C . 15101 1 89 . 1 1 19 19 ARG CA C 13 55.107 0.2 . 1 . . . . 19 ARG CA . 15101 1 90 . 1 1 19 19 ARG CB C 13 30.951 0.2 . 1 . . . . 19 ARG CB . 15101 1 91 . 1 1 19 19 ARG N N 15 126.246 0.2 . 1 . . . . 19 ARG N . 15101 1 92 . 1 1 20 20 VAL H H 1 9.109 0.02 . 1 . . . . 20 VAL H . 15101 1 93 . 1 1 20 20 VAL HA H 1 4.747 0.02 . 1 . . . . 20 VAL HA . 15101 1 94 . 1 1 20 20 VAL C C 13 174.528 0.2 . 1 . . . . 20 VAL C . 15101 1 95 . 1 1 20 20 VAL CA C 13 61.719 0.2 . 1 . . . . 20 VAL CA . 15101 1 96 . 1 1 20 20 VAL CB C 13 35.424 0.2 . 1 . . . . 20 VAL CB . 15101 1 97 . 1 1 20 20 VAL N N 15 126.003 0.2 . 1 . . . . 20 VAL N . 15101 1 98 . 1 1 21 21 ILE H H 1 8.883 0.02 . 1 . . . . 21 ILE H . 15101 1 99 . 1 1 21 21 ILE HA H 1 5.276 0.02 . 1 . . . . 21 ILE HA . 15101 1 100 . 1 1 21 21 ILE C C 13 176.476 0.2 . 1 . . . . 21 ILE C . 15101 1 101 . 1 1 21 21 ILE CA C 13 60.436 0.2 . 1 . . . . 21 ILE CA . 15101 1 102 . 1 1 21 21 ILE CB C 13 38.403 0.2 . 1 . . . . 21 ILE CB . 15101 1 103 . 1 1 21 21 ILE N N 15 128.353 0.2 . 1 . . . . 21 ILE N . 15101 1 104 . 1 1 22 22 MET H H 1 9.889 0.02 . 1 . . . . 22 MET H . 15101 1 105 . 1 1 22 22 MET HA H 1 6.129 0.02 . 1 . . . . 22 MET HA . 15101 1 106 . 1 1 22 22 MET C C 13 177.146 0.2 . 1 . . . . 22 MET C . 15101 1 107 . 1 1 22 22 MET CA C 13 54.725 0.2 . 1 . . . . 22 MET CA . 15101 1 108 . 1 1 22 22 MET CB C 13 40.241 0.2 . 1 . . . . 22 MET CB . 15101 1 109 . 1 1 22 22 MET N N 15 125.697 0.2 . 1 . . . . 22 MET N . 15101 1 110 . 1 1 23 23 THR H H 1 8.866 0.02 . 1 . . . . 23 THR H . 15101 1 111 . 1 1 23 23 THR HA H 1 4.987 0.02 . 1 . . . . 23 THR HA . 15101 1 112 . 1 1 23 23 THR C C 13 173.715 0.2 . 1 . . . . 23 THR C . 15101 1 113 . 1 1 23 23 THR CA C 13 61.799 0.2 . 1 . . . . 23 THR CA . 15101 1 114 . 1 1 23 23 THR CB C 13 68.557 0.2 . 1 . . . . 23 THR CB . 15101 1 115 . 1 1 23 23 THR N N 15 109.547 0.2 . 1 . . . . 23 THR N . 15101 1 116 . 1 1 24 24 THR H H 1 7.358 0.02 . 1 . . . . 24 THR H . 15101 1 117 . 1 1 24 24 THR HA H 1 4.783 0.02 . 1 . . . . 24 THR HA . 15101 1 118 . 1 1 24 24 THR C C 13 169.785 0.2 . 1 . . . . 24 THR C . 15101 1 119 . 1 1 24 24 THR CA C 13 58.475 0.2 . 1 . . . . 24 THR CA . 15101 1 120 . 1 1 24 24 THR CB C 13 69.719 0.2 . 1 . . . . 24 THR CB . 15101 1 121 . 1 1 24 24 THR N N 15 115.617 0.2 . 1 . . . . 24 THR N . 15101 1 122 . 1 1 25 25 LYS H H 1 7.628 0.02 . 1 . . . . 25 LYS H . 15101 1 123 . 1 1 25 25 LYS HA H 1 4.151 0.02 . 1 . . . . 25 LYS HA . 15101 1 124 . 1 1 25 25 LYS C C 13 176.024 0.2 . 1 . . . . 25 LYS C . 15101 1 125 . 1 1 25 25 LYS CA C 13 55.596 0.2 . 1 . . . . 25 LYS CA . 15101 1 126 . 1 1 25 25 LYS CB C 13 32.716 0.2 . 1 . . . . 25 LYS CB . 15101 1 127 . 1 1 25 25 LYS N N 15 121.963 0.2 . 1 . . . . 25 LYS N . 15101 1 128 . 1 1 26 26 ASP H H 1 8.196 0.02 . 1 . . . . 26 ASP H . 15101 1 129 . 1 1 26 26 ASP HA H 1 4.566 0.02 . 1 . . . . 26 ASP HA . 15101 1 130 . 1 1 26 26 ASP C C 13 176.687 0.2 . 1 . . . . 26 ASP C . 15101 1 131 . 1 1 26 26 ASP CA C 13 53.894 0.2 . 1 . . . . 26 ASP CA . 15101 1 132 . 1 1 26 26 ASP CB C 13 40.766 0.2 . 1 . . . . 26 ASP CB . 15101 1 133 . 1 1 26 26 ASP N N 15 121.175 0.2 . 1 . . . . 26 ASP N . 15101 1 134 . 1 1 27 27 THR H H 1 7.828 0.02 . 1 . . . . 27 THR H . 15101 1 135 . 1 1 27 27 THR HA H 1 3.896 0.02 . 1 . . . . 27 THR HA . 15101 1 136 . 1 1 27 27 THR C C 13 175.822 0.2 . 1 . . . . 27 THR C . 15101 1 137 . 1 1 27 27 THR CA C 13 61.258 0.2 . 1 . . . . 27 THR CA . 15101 1 138 . 1 1 27 27 THR CB C 13 69.112 0.2 . 1 . . . . 27 THR CB . 15101 1 139 . 1 1 27 27 THR N N 15 116.063 0.2 . 1 . . . . 27 THR N . 15101 1 140 . 1 1 28 28 SER H H 1 8.563 0.02 . 1 . . . . 28 SER H . 15101 1 141 . 1 1 28 28 SER HA H 1 4.015 0.02 . 1 . . . . 28 SER HA . 15101 1 142 . 1 1 28 28 SER C C 13 176.744 0.2 . 1 . . . . 28 SER C . 15101 1 143 . 1 1 28 28 SER CA C 13 63.53 0.2 . 1 . . . . 28 SER CA . 15101 1 144 . 1 1 28 28 SER CB C 13 62.378 0.2 . 1 . . . . 28 SER CB . 15101 1 145 . 1 1 28 28 SER N N 15 120.608 0.2 . 1 . . . . 28 SER N . 15101 1 146 . 1 1 29 29 THR H H 1 8.166 0.02 . 1 . . . . 29 THR H . 15101 1 147 . 1 1 29 29 THR HA H 1 4.112 0.02 . 1 . . . . 29 THR HA . 15101 1 148 . 1 1 29 29 THR C C 13 176.662 0.2 . 1 . . . . 29 THR C . 15101 1 149 . 1 1 29 29 THR CA C 13 65.52 0.2 . 1 . . . . 29 THR CA . 15101 1 150 . 1 1 29 29 THR CB C 13 68.448 0.2 . 1 . . . . 29 THR CB . 15101 1 151 . 1 1 29 29 THR N N 15 115.538 0.2 . 1 . . . . 29 THR N . 15101 1 152 . 1 1 30 30 LEU H H 1 7.226 0.02 . 1 . . . . 30 LEU H . 15101 1 153 . 1 1 30 30 LEU HA H 1 4.085 0.02 . 1 . . . . 30 LEU HA . 15101 1 154 . 1 1 30 30 LEU C C 13 177.375 0.2 . 1 . . . . 30 LEU C . 15101 1 155 . 1 1 30 30 LEU CA C 13 57.485 0.2 . 1 . . . . 30 LEU CA . 15101 1 156 . 1 1 30 30 LEU CB C 13 42.18 0.2 . 1 . . . . 30 LEU CB . 15101 1 157 . 1 1 30 30 LEU N N 15 125.835 0.2 . 1 . . . . 30 LEU N . 15101 1 158 . 1 1 31 31 LYS H H 1 8.662 0.02 . 1 . . . . 31 LYS H . 15101 1 159 . 1 1 31 31 LYS HA H 1 3.708 0.02 . 1 . . . . 31 LYS HA . 15101 1 160 . 1 1 31 31 LYS C C 13 177.664 0.2 . 1 . . . . 31 LYS C . 15101 1 161 . 1 1 31 31 LYS CA C 13 60.98 0.2 . 1 . . . . 31 LYS CA . 15101 1 162 . 1 1 31 31 LYS CB C 13 32.744 0.2 . 1 . . . . 31 LYS CB . 15101 1 163 . 1 1 31 31 LYS N N 15 119.87 0.2 . 1 . . . . 31 LYS N . 15101 1 164 . 1 1 32 32 GLU H H 1 7.823 0.02 . 1 . . . . 32 GLU H . 15101 1 165 . 1 1 32 32 GLU HA H 1 4.026 0.02 . 1 . . . . 32 GLU HA . 15101 1 166 . 1 1 32 32 GLU C C 13 179.052 0.2 . 1 . . . . 32 GLU C . 15101 1 167 . 1 1 32 32 GLU CA C 13 59.501 0.2 . 1 . . . . 32 GLU CA . 15101 1 168 . 1 1 32 32 GLU CB C 13 29.796 0.2 . 1 . . . . 32 GLU CB . 15101 1 169 . 1 1 32 32 GLU N N 15 117.465 0.2 . 1 . . . . 32 GLU N . 15101 1 170 . 1 1 33 33 LEU H H 1 7.184 0.02 . 1 . . . . 33 LEU H . 15101 1 171 . 1 1 33 33 LEU HA H 1 4.306 0.02 . 1 . . . . 33 LEU HA . 15101 1 172 . 1 1 33 33 LEU C C 13 180.108 0.2 . 1 . . . . 33 LEU C . 15101 1 173 . 1 1 33 33 LEU CA C 13 57.934 0.2 . 1 . . . . 33 LEU CA . 15101 1 174 . 1 1 33 33 LEU CB C 13 41.641 0.2 . 1 . . . . 33 LEU CB . 15101 1 175 . 1 1 33 33 LEU N N 15 119.882 0.2 . 1 . . . . 33 LEU N . 15101 1 176 . 1 1 34 34 LEU H H 1 8.228 0.02 . 1 . . . . 34 LEU H . 15101 1 177 . 1 1 34 34 LEU HA H 1 3.886 0.02 . 1 . . . . 34 LEU HA . 15101 1 178 . 1 1 34 34 LEU C C 13 180.693 0.2 . 1 . . . . 34 LEU C . 15101 1 179 . 1 1 34 34 LEU CA C 13 58.07 0.2 . 1 . . . . 34 LEU CA . 15101 1 180 . 1 1 34 34 LEU CB C 13 39.647 0.2 . 1 . . . . 34 LEU CB . 15101 1 181 . 1 1 34 34 LEU N N 15 122.001 0.2 . 1 . . . . 34 LEU N . 15101 1 182 . 1 1 35 35 GLU H H 1 8.625 0.02 . 1 . . . . 35 GLU H . 15101 1 183 . 1 1 35 35 GLU HA H 1 4.479 0.02 . 1 . . . . 35 GLU HA . 15101 1 184 . 1 1 35 35 GLU C C 13 179.852 0.2 . 1 . . . . 35 GLU C . 15101 1 185 . 1 1 35 35 GLU CA C 13 59.327 0.2 . 1 . . . . 35 GLU CA . 15101 1 186 . 1 1 35 35 GLU CB C 13 29.839 0.2 . 1 . . . . 35 GLU CB . 15101 1 187 . 1 1 35 35 GLU N N 15 120.316 0.2 . 1 . . . . 35 GLU N . 15101 1 188 . 1 1 36 36 THR H H 1 7.663 0.02 . 1 . . . . 36 THR H . 15101 1 189 . 1 1 36 36 THR HA H 1 4.219 0.02 . 1 . . . . 36 THR HA . 15101 1 190 . 1 1 36 36 THR C C 13 176.05 0.2 . 1 . . . . 36 THR C . 15101 1 191 . 1 1 36 36 THR CA C 13 65.041 0.2 . 1 . . . . 36 THR CA . 15101 1 192 . 1 1 36 36 THR CB C 13 69.869 0.2 . 1 . . . . 36 THR CB . 15101 1 193 . 1 1 36 36 THR N N 15 111.685 0.2 . 1 . . . . 36 THR N . 15101 1 194 . 1 1 37 37 TYR H H 1 7.487 0.02 . 1 . . . . 37 TYR H . 15101 1 195 . 1 1 37 37 TYR HA H 1 4.234 0.02 . 1 . . . . 37 TYR HA . 15101 1 196 . 1 1 37 37 TYR C C 13 175.38 0.2 . 1 . . . . 37 TYR C . 15101 1 197 . 1 1 37 37 TYR CA C 13 61.335 0.2 . 1 . . . . 37 TYR CA . 15101 1 198 . 1 1 37 37 TYR CB C 13 37.361 0.2 . 1 . . . . 37 TYR CB . 15101 1 199 . 1 1 37 37 TYR N N 15 119.447 0.2 . 1 . . . . 37 TYR N . 15101 1 200 . 1 1 38 38 GLN H H 1 7.913 0.02 . 1 . . . . 38 GLN H . 15101 1 201 . 1 1 38 38 GLN HA H 1 4.106 0.02 . 1 . . . . 38 GLN HA . 15101 1 202 . 1 1 38 38 GLN C C 13 174.081 0.2 . 1 . . . . 38 GLN C . 15101 1 203 . 1 1 38 38 GLN CA C 13 56.892 0.2 . 1 . . . . 38 GLN CA . 15101 1 204 . 1 1 38 38 GLN CB C 13 27.187 0.2 . 1 . . . . 38 GLN CB . 15101 1 205 . 1 1 38 38 GLN N N 15 117.01 0.2 . 1 . . . . 38 GLN N . 15101 1 206 . 1 1 39 39 ARG H H 1 8.48 0.02 . 1 . . . . 39 ARG H . 15101 1 207 . 1 1 39 39 ARG HA H 1 5.185 0.02 . 1 . . . . 39 ARG HA . 15101 1 208 . 1 1 39 39 ARG CA C 13 53.874 0.2 . 1 . . . . 39 ARG CA . 15101 1 209 . 1 1 39 39 ARG CB C 13 30.676 0.2 . 1 . . . . 39 ARG CB . 15101 1 210 . 1 1 39 39 ARG N N 15 116.303 0.2 . 1 . . . . 39 ARG N . 15101 1 211 . 1 1 40 40 PRO HA H 1 4.545 0.02 . 1 . . . . 40 PRO HA . 15101 1 212 . 1 1 40 40 PRO C C 13 175.689 0.2 . 1 . . . . 40 PRO C . 15101 1 213 . 1 1 40 40 PRO CA C 13 63.402 0.2 . 1 . . . . 40 PRO CA . 15101 1 214 . 1 1 40 40 PRO CB C 13 32.519 0.2 . 1 . . . . 40 PRO CB . 15101 1 215 . 1 1 41 41 PHE H H 1 7.721 0.02 . 1 . . . . 41 PHE H . 15101 1 216 . 1 1 41 41 PHE HA H 1 5.428 0.02 . 1 . . . . 41 PHE HA . 15101 1 217 . 1 1 41 41 PHE C C 13 173.723 0.2 . 1 . . . . 41 PHE C . 15101 1 218 . 1 1 41 41 PHE CA C 13 56.05 0.2 . 1 . . . . 41 PHE CA . 15101 1 219 . 1 1 41 41 PHE CB C 13 42.164 0.2 . 1 . . . . 41 PHE CB . 15101 1 220 . 1 1 41 41 PHE N N 15 115.892 0.2 . 1 . . . . 41 PHE N . 15101 1 221 . 1 1 42 42 LYS H H 1 8.917 0.02 . 1 . . . . 42 LYS H . 15101 1 222 . 1 1 42 42 LYS HA H 1 4.762 0.02 . 1 . . . . 42 LYS HA . 15101 1 223 . 1 1 42 42 LYS C C 13 174.737 0.2 . 1 . . . . 42 LYS C . 15101 1 224 . 1 1 42 42 LYS CA C 13 55.046 0.2 . 1 . . . . 42 LYS CA . 15101 1 225 . 1 1 42 42 LYS CB C 13 35.573 0.2 . 1 . . . . 42 LYS CB . 15101 1 226 . 1 1 42 42 LYS N N 15 121.888 0.2 . 1 . . . . 42 LYS N . 15101 1 227 . 1 1 43 43 LEU H H 1 8.873 0.02 . 1 . . . . 43 LEU H . 15101 1 228 . 1 1 43 43 LEU HA H 1 5.45 0.02 . 1 . . . . 43 LEU HA . 15101 1 229 . 1 1 43 43 LEU C C 13 175.497 0.2 . 1 . . . . 43 LEU C . 15101 1 230 . 1 1 43 43 LEU CA C 13 54.513 0.2 . 1 . . . . 43 LEU CA . 15101 1 231 . 1 1 43 43 LEU CB C 13 44.556 0.2 . 1 . . . . 43 LEU CB . 15101 1 232 . 1 1 43 43 LEU N N 15 129.284 0.2 . 1 . . . . 43 LEU N . 15101 1 233 . 1 1 44 44 GLU H H 1 9.237 0.02 . 1 . . . . 44 GLU H . 15101 1 234 . 1 1 44 44 GLU HA H 1 5.054 0.02 . 1 . . . . 44 GLU HA . 15101 1 235 . 1 1 44 44 GLU C C 13 175.285 0.2 . 1 . . . . 44 GLU C . 15101 1 236 . 1 1 44 44 GLU CA C 13 54.892 0.2 . 1 . . . . 44 GLU CA . 15101 1 237 . 1 1 44 44 GLU CB C 13 34.378 0.2 . 1 . . . . 44 GLU CB . 15101 1 238 . 1 1 44 44 GLU N N 15 126.202 0.2 . 1 . . . . 44 GLU N . 15101 1 239 . 1 1 45 45 PHE H H 1 9.14 0.02 . 1 . . . . 45 PHE H . 15101 1 240 . 1 1 45 45 PHE HA H 1 4.478 0.02 . 1 . . . . 45 PHE HA . 15101 1 241 . 1 1 45 45 PHE C C 13 174.819 0.2 . 1 . . . . 45 PHE C . 15101 1 242 . 1 1 45 45 PHE CA C 13 57.982 0.2 . 1 . . . . 45 PHE CA . 15101 1 243 . 1 1 45 45 PHE CB C 13 39.491 0.2 . 1 . . . . 45 PHE CB . 15101 1 244 . 1 1 45 45 PHE N N 15 127.609 0.2 . 1 . . . . 45 PHE N . 15101 1 245 . 1 1 46 46 LYS H H 1 8.247 0.02 . 1 . . . . 46 LYS H . 15101 1 246 . 1 1 46 46 LYS HA H 1 4.326 0.02 . 1 . . . . 46 LYS HA . 15101 1 247 . 1 1 46 46 LYS C C 13 174.886 0.2 . 1 . . . . 46 LYS C . 15101 1 248 . 1 1 46 46 LYS CA C 13 54.889 0.2 . 1 . . . . 46 LYS CA . 15101 1 249 . 1 1 46 46 LYS CB C 13 32.496 0.2 . 1 . . . . 46 LYS CB . 15101 1 250 . 1 1 46 46 LYS N N 15 128.322 0.2 . 1 . . . . 46 LYS N . 15101 1 251 . 1 1 47 47 ASN H H 1 7.111 0.02 . 1 . . . . 47 ASN H . 15101 1 252 . 1 1 47 47 ASN HA H 1 4.503 0.02 . 1 . . . . 47 ASN HA . 15101 1 253 . 1 1 47 47 ASN C C 13 174.225 0.2 . 1 . . . . 47 ASN C . 15101 1 254 . 1 1 47 47 ASN CA C 13 53.633 0.2 . 1 . . . . 47 ASN CA . 15101 1 255 . 1 1 47 47 ASN CB C 13 40.276 0.2 . 1 . . . . 47 ASN CB . 15101 1 256 . 1 1 47 47 ASN N N 15 116.699 0.2 . 1 . . . . 47 ASN N . 15101 1 257 . 1 1 48 48 THR H H 1 8.205 0.02 . 1 . . . . 48 THR H . 15101 1 258 . 1 1 48 48 THR HA H 1 4.79 0.02 . 1 . . . . 48 THR HA . 15101 1 259 . 1 1 48 48 THR C C 13 174.669 0.2 . 1 . . . . 48 THR C . 15101 1 260 . 1 1 48 48 THR CA C 13 61.112 0.2 . 1 . . . . 48 THR CA . 15101 1 261 . 1 1 48 48 THR CB C 13 70.653 0.2 . 1 . . . . 48 THR CB . 15101 1 262 . 1 1 48 48 THR N N 15 114.987 0.2 . 1 . . . . 48 THR N . 15101 1 263 . 1 1 49 49 SER H H 1 8.31 0.02 . 1 . . . . 49 SER H . 15101 1 264 . 1 1 49 49 SER HA H 1 4.543 0.02 . 1 . . . . 49 SER HA . 15101 1 265 . 1 1 49 49 SER C C 13 175.511 0.2 . 1 . . . . 49 SER C . 15101 1 266 . 1 1 49 49 SER CA C 13 58.361 0.2 . 1 . . . . 49 SER CA . 15101 1 267 . 1 1 49 49 SER CB C 13 64.581 0.2 . 1 . . . . 49 SER CB . 15101 1 268 . 1 1 49 49 SER N N 15 119.153 0.2 . 1 . . . . 49 SER N . 15101 1 269 . 1 1 50 50 LYS H H 1 8.71 0.02 . 1 . . . . 50 LYS H . 15101 1 270 . 1 1 50 50 LYS CA C 13 58.356 0.2 . 1 . . . . 50 LYS CA . 15101 1 271 . 1 1 50 50 LYS CB C 13 32.09 0.2 . 1 . . . . 50 LYS CB . 15101 1 272 . 1 1 50 50 LYS N N 15 123.855 0.2 . 1 . . . . 50 LYS N . 15101 1 273 . 1 1 51 51 ASN H H 1 8.247 0.02 . 1 . . . . 51 ASN H . 15101 1 274 . 1 1 51 51 ASN C C 13 174.557 0.2 . 1 . . . . 51 ASN C . 15101 1 275 . 1 1 51 51 ASN CA C 13 53.095 0.2 . 1 . . . . 51 ASN CA . 15101 1 276 . 1 1 51 51 ASN CB C 13 38.232 0.2 . 1 . . . . 51 ASN CB . 15101 1 277 . 1 1 51 51 ASN N N 15 117 0.2 . 1 . . . . 51 ASN N . 15101 1 278 . 1 1 52 52 ALA H H 1 7.921 0.02 . 1 . . . . 52 ALA H . 15101 1 279 . 1 1 52 52 ALA HA H 1 3.944 0.02 . 1 . . . . 52 ALA HA . 15101 1 280 . 1 1 52 52 ALA C C 13 176.298 0.2 . 1 . . . . 52 ALA C . 15101 1 281 . 1 1 52 52 ALA CA C 13 53.035 0.2 . 1 . . . . 52 ALA CA . 15101 1 282 . 1 1 52 52 ALA CB C 13 18.353 0.2 . 1 . . . . 52 ALA CB . 15101 1 283 . 1 1 52 52 ALA N N 15 121.372 0.2 . 1 . . . . 52 ALA N . 15101 1 284 . 1 1 53 53 LYS H H 1 7.479 0.02 . 1 . . . . 53 LYS H . 15101 1 285 . 1 1 53 53 LYS HA H 1 4.091 0.02 . 1 . . . . 53 LYS HA . 15101 1 286 . 1 1 53 53 LYS C C 13 175.384 0.2 . 1 . . . . 53 LYS C . 15101 1 287 . 1 1 53 53 LYS CA C 13 56.803 0.2 . 1 . . . . 53 LYS CA . 15101 1 288 . 1 1 53 53 LYS CB C 13 33.341 0.2 . 1 . . . . 53 LYS CB . 15101 1 289 . 1 1 53 53 LYS N N 15 117.329 0.2 . 1 . . . . 53 LYS N . 15101 1 290 . 1 1 54 54 PHE H H 1 7.242 0.02 . 1 . . . . 54 PHE H . 15101 1 291 . 1 1 54 54 PHE HA H 1 5.176 0.02 . 1 . . . . 54 PHE HA . 15101 1 292 . 1 1 54 54 PHE C C 13 174.359 0.2 . 1 . . . . 54 PHE C . 15101 1 293 . 1 1 54 54 PHE CA C 13 54.833 0.2 . 1 . . . . 54 PHE CA . 15101 1 294 . 1 1 54 54 PHE CB C 13 41.657 0.2 . 1 . . . . 54 PHE CB . 15101 1 295 . 1 1 54 54 PHE N N 15 114.665 0.2 . 1 . . . . 54 PHE N . 15101 1 296 . 1 1 55 55 TYR H H 1 9.157 0.02 . 1 . . . . 55 TYR H . 15101 1 297 . 1 1 55 55 TYR HA H 1 4.87 0.02 . 1 . . . . 55 TYR HA . 15101 1 298 . 1 1 55 55 TYR C C 13 174.22 0.2 . 1 . . . . 55 TYR C . 15101 1 299 . 1 1 55 55 TYR CA C 13 57.701 0.2 . 1 . . . . 55 TYR CA . 15101 1 300 . 1 1 55 55 TYR CB C 13 41.655 0.2 . 1 . . . . 55 TYR CB . 15101 1 301 . 1 1 55 55 TYR N N 15 121.866 0.2 . 1 . . . . 55 TYR N . 15101 1 302 . 1 1 56 56 SER H H 1 8.786 0.02 . 1 . . . . 56 SER H . 15101 1 303 . 1 1 56 56 SER HA H 1 5.539 0.02 . 1 . . . . 56 SER HA . 15101 1 304 . 1 1 56 56 SER C C 13 172.928 0.2 . 1 . . . . 56 SER C . 15101 1 305 . 1 1 56 56 SER CA C 13 57.621 0.2 . 1 . . . . 56 SER CA . 15101 1 306 . 1 1 56 56 SER CB C 13 65.074 0.2 . 1 . . . . 56 SER CB . 15101 1 307 . 1 1 56 56 SER N N 15 119.31 0.2 . 1 . . . . 56 SER N . 15101 1 308 . 1 1 57 57 PHE H H 1 9.411 0.02 . 1 . . . . 57 PHE H . 15101 1 309 . 1 1 57 57 PHE HA H 1 5.347 0.02 . 1 . . . . 57 PHE HA . 15101 1 310 . 1 1 57 57 PHE C C 13 175.029 0.2 . 1 . . . . 57 PHE C . 15101 1 311 . 1 1 57 57 PHE CA C 13 56.675 0.2 . 1 . . . . 57 PHE CA . 15101 1 312 . 1 1 57 57 PHE CB C 13 43.461 0.2 . 1 . . . . 57 PHE CB . 15101 1 313 . 1 1 57 57 PHE N N 15 122.703 0.2 . 1 . . . . 57 PHE N . 15101 1 314 . 1 1 58 58 ASN H H 1 9.455 0.02 . 1 . . . . 58 ASN H . 15101 1 315 . 1 1 58 58 ASN HA H 1 5.73 0.02 . 1 . . . . 58 ASN HA . 15101 1 316 . 1 1 58 58 ASN C C 13 174.65 0.2 . 1 . . . . 58 ASN C . 15101 1 317 . 1 1 58 58 ASN CA C 13 52.812 0.2 . 1 . . . . 58 ASN CA . 15101 1 318 . 1 1 58 58 ASN CB C 13 42.732 0.2 . 1 . . . . 58 ASN CB . 15101 1 319 . 1 1 58 58 ASN N N 15 121.985 0.2 . 1 . . . . 58 ASN N . 15101 1 320 . 1 1 59 59 VAL H H 1 9.454 0.02 . 1 . . . . 59 VAL H . 15101 1 321 . 1 1 59 59 VAL HA H 1 5.292 0.02 . 1 . . . . 59 VAL HA . 15101 1 322 . 1 1 59 59 VAL C C 13 174.847 0.2 . 1 . . . . 59 VAL C . 15101 1 323 . 1 1 59 59 VAL CA C 13 60.827 0.2 . 1 . . . . 59 VAL CA . 15101 1 324 . 1 1 59 59 VAL CB C 13 35.2 0.2 . 1 . . . . 59 VAL CB . 15101 1 325 . 1 1 59 59 VAL N N 15 127.724 0.2 . 1 . . . . 59 VAL N . 15101 1 326 . 1 1 60 60 SER H H 1 8.795 0.02 . 1 . . . . 60 SER H . 15101 1 327 . 1 1 60 60 SER HA H 1 6.112 0.02 . 1 . . . . 60 SER HA . 15101 1 328 . 1 1 60 60 SER C C 13 174.711 0.2 . 1 . . . . 60 SER C . 15101 1 329 . 1 1 60 60 SER CA C 13 56.577 0.2 . 1 . . . . 60 SER CA . 15101 1 330 . 1 1 60 60 SER CB C 13 65.218 0.2 . 1 . . . . 60 SER CB . 15101 1 331 . 1 1 60 60 SER N N 15 121.902 0.2 . 1 . . . . 60 SER N . 15101 1 332 . 1 1 61 61 MET H H 1 8.942 0.02 . 1 . . . . 61 MET H . 15101 1 333 . 1 1 61 61 MET HA H 1 4.76 0.02 . 1 . . . . 61 MET HA . 15101 1 334 . 1 1 61 61 MET C C 13 173.248 0.2 . 1 . . . . 61 MET C . 15101 1 335 . 1 1 61 61 MET CA C 13 55.793 0.2 . 1 . . . . 61 MET CA . 15101 1 336 . 1 1 61 61 MET CB C 13 37.899 0.2 . 1 . . . . 61 MET CB . 15101 1 337 . 1 1 61 61 MET N N 15 124.656 0.2 . 1 . . . . 61 MET N . 15101 1 338 . 1 1 62 62 GLU H H 1 9.219 0.02 . 1 . . . . 62 GLU H . 15101 1 339 . 1 1 62 62 GLU HA H 1 4.897 0.02 . 1 . . . . 62 GLU HA . 15101 1 340 . 1 1 62 62 GLU C C 13 175.478 0.2 . 1 . . . . 62 GLU C . 15101 1 341 . 1 1 62 62 GLU CA C 13 57.238 0.2 . 1 . . . . 62 GLU CA . 15101 1 342 . 1 1 62 62 GLU CB C 13 30.88 0.2 . 1 . . . . 62 GLU CB . 15101 1 343 . 1 1 62 62 GLU N N 15 126.975 0.2 . 1 . . . . 62 GLU N . 15101 1 344 . 1 1 63 63 VAL H H 1 9.06 0.02 . 1 . . . . 63 VAL H . 15101 1 345 . 1 1 63 63 VAL HA H 1 4.76 0.02 . 1 . . . . 63 VAL HA . 15101 1 346 . 1 1 63 63 VAL C C 13 177.103 0.2 . 1 . . . . 63 VAL C . 15101 1 347 . 1 1 63 63 VAL CA C 13 59.354 0.2 . 1 . . . . 63 VAL CA . 15101 1 348 . 1 1 63 63 VAL CB C 13 35.369 0.2 . 1 . . . . 63 VAL CB . 15101 1 349 . 1 1 63 63 VAL N N 15 118.316 0.2 . 1 . . . . 63 VAL N . 15101 1 350 . 1 1 64 64 SER H H 1 9.333 0.02 . 1 . . . . 64 SER H . 15101 1 351 . 1 1 64 64 SER HA H 1 4.335 0.02 . 1 . . . . 64 SER HA . 15101 1 352 . 1 1 64 64 SER C C 13 173.544 0.2 . 1 . . . . 64 SER C . 15101 1 353 . 1 1 64 64 SER CA C 13 61.537 0.2 . 1 . . . . 64 SER CA . 15101 1 354 . 1 1 64 64 SER CB C 13 64.642 0.2 . 1 . . . . 64 SER CB . 15101 1 355 . 1 1 64 64 SER N N 15 117.646 0.2 . 1 . . . . 64 SER N . 15101 1 356 . 1 1 65 65 ASN H H 1 7.309 0.02 . 1 . . . . 65 ASN H . 15101 1 357 . 1 1 65 65 ASN HA H 1 3.524 0.02 . 1 . . . . 65 ASN HA . 15101 1 358 . 1 1 65 65 ASN C C 13 173.657 0.2 . 1 . . . . 65 ASN C . 15101 1 359 . 1 1 65 65 ASN CA C 13 51.637 0.2 . 1 . . . . 65 ASN CA . 15101 1 360 . 1 1 65 65 ASN CB C 13 38.884 0.2 . 1 . . . . 65 ASN CB . 15101 1 361 . 1 1 65 65 ASN N N 15 110.894 0.2 . 1 . . . . 65 ASN N . 15101 1 362 . 1 1 66 66 GLU H H 1 8.122 0.02 . 1 . . . . 66 GLU H . 15101 1 363 . 1 1 66 66 GLU HA H 1 3.492 0.02 . 1 . . . . 66 GLU HA . 15101 1 364 . 1 1 66 66 GLU C C 13 177.416 0.2 . 1 . . . . 66 GLU C . 15101 1 365 . 1 1 66 66 GLU CA C 13 59.517 0.2 . 1 . . . . 66 GLU CA . 15101 1 366 . 1 1 66 66 GLU CB C 13 30.251 0.2 . 1 . . . . 66 GLU CB . 15101 1 367 . 1 1 66 66 GLU N N 15 121.458 0.2 . 1 . . . . 66 GLU N . 15101 1 368 . 1 1 67 67 SER H H 1 7.959 0.02 . 1 . . . . 67 SER H . 15101 1 369 . 1 1 67 67 SER C C 13 177.528 0.2 . 1 . . . . 67 SER C . 15101 1 370 . 1 1 67 67 SER CA C 13 62.064 0.2 . 1 . . . . 67 SER CA . 15101 1 371 . 1 1 67 67 SER CB C 13 62.302 0.2 . 1 . . . . 67 SER CB . 15101 1 372 . 1 1 67 67 SER N N 15 115.599 0.2 . 1 . . . . 67 SER N . 15101 1 373 . 1 1 68 68 GLU H H 1 8.569 0.02 . 1 . . . . 68 GLU H . 15101 1 374 . 1 1 68 68 GLU HA H 1 4.085 0.02 . 1 . . . . 68 GLU HA . 15101 1 375 . 1 1 68 68 GLU C C 13 177.667 0.2 . 1 . . . . 68 GLU C . 15101 1 376 . 1 1 68 68 GLU CA C 13 59.657 0.2 . 1 . . . . 68 GLU CA . 15101 1 377 . 1 1 68 68 GLU CB C 13 31.086 0.2 . 1 . . . . 68 GLU CB . 15101 1 378 . 1 1 68 68 GLU N N 15 125.025 0.2 . 1 . . . . 68 GLU N . 15101 1 379 . 1 1 69 69 ARG H H 1 7.829 0.02 . 1 . . . . 69 ARG H . 15101 1 380 . 1 1 69 69 ARG HA H 1 3.875 0.02 . 1 . . . . 69 ARG HA . 15101 1 381 . 1 1 69 69 ARG C C 13 180.562 0.2 . 1 . . . . 69 ARG C . 15101 1 382 . 1 1 69 69 ARG CA C 13 58.693 0.2 . 1 . . . . 69 ARG CA . 15101 1 383 . 1 1 69 69 ARG CB C 13 29.999 0.2 . 1 . . . . 69 ARG CB . 15101 1 384 . 1 1 69 69 ARG N N 15 119.255 0.2 . 1 . . . . 69 ARG N . 15101 1 385 . 1 1 70 70 ASN H H 1 8.211 0.02 . 1 . . . . 70 ASN H . 15101 1 386 . 1 1 70 70 ASN HA H 1 4.666 0.02 . 1 . . . . 70 ASN HA . 15101 1 387 . 1 1 70 70 ASN C C 13 176.936 0.2 . 1 . . . . 70 ASN C . 15101 1 388 . 1 1 70 70 ASN CA C 13 55.388 0.2 . 1 . . . . 70 ASN CA . 15101 1 389 . 1 1 70 70 ASN CB C 13 37.931 0.2 . 1 . . . . 70 ASN CB . 15101 1 390 . 1 1 70 70 ASN N N 15 118.943 0.2 . 1 . . . . 70 ASN N . 15101 1 391 . 1 1 71 71 GLU H H 1 8.516 0.02 . 1 . . . . 71 GLU H . 15101 1 392 . 1 1 71 71 GLU HA H 1 4.112 0.02 . 1 . . . . 71 GLU HA . 15101 1 393 . 1 1 71 71 GLU C C 13 178.612 0.2 . 1 . . . . 71 GLU C . 15101 1 394 . 1 1 71 71 GLU CA C 13 59.869 0.2 . 1 . . . . 71 GLU CA . 15101 1 395 . 1 1 71 71 GLU CB C 13 30.289 0.2 . 1 . . . . 71 GLU CB . 15101 1 396 . 1 1 71 71 GLU N N 15 125.836 0.2 . 1 . . . . 71 GLU N . 15101 1 397 . 1 1 72 72 ILE H H 1 8.229 0.02 . 1 . . . . 72 ILE H . 15101 1 398 . 1 1 72 72 ILE HA H 1 3.374 0.02 . 1 . . . . 72 ILE HA . 15101 1 399 . 1 1 72 72 ILE C C 13 177.462 0.2 . 1 . . . . 72 ILE C . 15101 1 400 . 1 1 72 72 ILE CA C 13 66.41 0.2 . 1 . . . . 72 ILE CA . 15101 1 401 . 1 1 72 72 ILE CB C 13 38.196 0.2 . 1 . . . . 72 ILE CB . 15101 1 402 . 1 1 72 72 ILE N N 15 121.15 0.2 . 1 . . . . 72 ILE N . 15101 1 403 . 1 1 73 73 PHE H H 1 7.294 0.02 . 1 . . . . 73 PHE H . 15101 1 404 . 1 1 73 73 PHE HA H 1 3.744 0.02 . 1 . . . . 73 PHE HA . 15101 1 405 . 1 1 73 73 PHE C C 13 178.072 0.2 . 1 . . . . 73 PHE C . 15101 1 406 . 1 1 73 73 PHE CA C 13 62.246 0.2 . 1 . . . . 73 PHE CA . 15101 1 407 . 1 1 73 73 PHE CB C 13 40.249 0.2 . 1 . . . . 73 PHE CB . 15101 1 408 . 1 1 73 73 PHE N N 15 118.375 0.2 . 1 . . . . 73 PHE N . 15101 1 409 . 1 1 74 74 GLN H H 1 8.226 0.02 . 1 . . . . 74 GLN H . 15101 1 410 . 1 1 74 74 GLN HA H 1 3.952 0.02 . 1 . . . . 74 GLN HA . 15101 1 411 . 1 1 74 74 GLN C C 13 178.917 0.2 . 1 . . . . 74 GLN C . 15101 1 412 . 1 1 74 74 GLN CA C 13 58.903 0.2 . 1 . . . . 74 GLN CA . 15101 1 413 . 1 1 74 74 GLN CB C 13 28.523 0.2 . 1 . . . . 74 GLN CB . 15101 1 414 . 1 1 74 74 GLN N N 15 119.306 0.2 . 1 . . . . 74 GLN N . 15101 1 415 . 1 1 75 75 LYS H H 1 8.522 0.02 . 1 . . . . 75 LYS H . 15101 1 416 . 1 1 75 75 LYS HA H 1 3.962 0.02 . 1 . . . . 75 LYS HA . 15101 1 417 . 1 1 75 75 LYS C C 13 180.256 0.2 . 1 . . . . 75 LYS C . 15101 1 418 . 1 1 75 75 LYS CA C 13 59.998 0.2 . 1 . . . . 75 LYS CA . 15101 1 419 . 1 1 75 75 LYS CB C 13 33.013 0.2 . 1 . . . . 75 LYS CB . 15101 1 420 . 1 1 75 75 LYS N N 15 120.178 0.2 . 1 . . . . 75 LYS N . 15101 1 421 . 1 1 76 76 ILE H H 1 8.444 0.02 . 1 . . . . 76 ILE H . 15101 1 422 . 1 1 76 76 ILE HA H 1 3.323 0.02 . 1 . . . . 76 ILE HA . 15101 1 423 . 1 1 76 76 ILE C C 13 177.631 0.2 . 1 . . . . 76 ILE C . 15101 1 424 . 1 1 76 76 ILE CA C 13 66.173 0.2 . 1 . . . . 76 ILE CA . 15101 1 425 . 1 1 76 76 ILE CB C 13 38.211 0.2 . 1 . . . . 76 ILE CB . 15101 1 426 . 1 1 76 76 ILE N N 15 120.662 0.2 . 1 . . . . 76 ILE N . 15101 1 427 . 1 1 77 77 SER H H 1 7.502 0.02 . 1 . . . . 77 SER H . 15101 1 428 . 1 1 77 77 SER HA H 1 4.018 0.02 . 1 . . . . 77 SER HA . 15101 1 429 . 1 1 77 77 SER C C 13 174.799 0.2 . 1 . . . . 77 SER C . 15101 1 430 . 1 1 77 77 SER CA C 13 61.384 0.2 . 1 . . . . 77 SER CA . 15101 1 431 . 1 1 77 77 SER CB C 13 63.655 0.2 . 1 . . . . 77 SER CB . 15101 1 432 . 1 1 77 77 SER N N 15 111.62 0.2 . 1 . . . . 77 SER N . 15101 1 433 . 1 1 78 78 GLN H H 1 7.142 0.02 . 1 . . . . 78 ASN H . 15101 1 434 . 1 1 78 78 GLN HA H 1 4.292 0.02 . 1 . . . . 78 ASN HA . 15101 1 435 . 1 1 78 78 GLN C C 13 176.549 0.2 . 1 . . . . 78 ASN C . 15101 1 436 . 1 1 78 78 GLN CA C 13 55.675 0.2 . 1 . . . . 78 ASN CA . 15101 1 437 . 1 1 78 78 GLN CB C 13 29.475 0.2 . 1 . . . . 78 ASN CB . 15101 1 438 . 1 1 78 78 GLN N N 15 117.884 0.2 . 1 . . . . 78 ASN N . 15101 1 439 . 1 1 79 79 LEU H H 1 7.514 0.02 . 1 . . . . 79 LEU H . 15101 1 440 . 1 1 79 79 LEU HA H 1 4.213 0.02 . 1 . . . . 79 LEU HA . 15101 1 441 . 1 1 79 79 LEU C C 13 178.509 0.2 . 1 . . . . 79 LEU C . 15101 1 442 . 1 1 79 79 LEU CA C 13 55.555 0.2 . 1 . . . . 79 LEU CA . 15101 1 443 . 1 1 79 79 LEU CB C 13 41.645 0.2 . 1 . . . . 79 LEU CB . 15101 1 444 . 1 1 79 79 LEU N N 15 124.012 0.2 . 1 . . . . 79 LEU N . 15101 1 445 . 1 1 80 80 ASP H H 1 8.324 0.02 . 1 . . . . 80 ASP H . 15101 1 446 . 1 1 80 80 ASP HA H 1 4.425 0.02 . 1 . . . . 80 ASP HA . 15101 1 447 . 1 1 80 80 ASP C C 13 177.306 0.2 . 1 . . . . 80 ASP C . 15101 1 448 . 1 1 80 80 ASP CA C 13 56.866 0.2 . 1 . . . . 80 ASP CA . 15101 1 449 . 1 1 80 80 ASP CB C 13 41.513 0.2 . 1 . . . . 80 ASP CB . 15101 1 450 . 1 1 80 80 ASP N N 15 123.43 0.2 . 1 . . . . 80 ASP N . 15101 1 451 . 1 1 81 81 LYS H H 1 8.093 0.02 . 1 . . . . 81 LYS H . 15101 1 452 . 1 1 81 81 LYS HA H 1 4.188 0.02 . 1 . . . . 81 LYS HA . 15101 1 453 . 1 1 81 81 LYS C C 13 175.378 0.2 . 1 . . . . 81 LYS C . 15101 1 454 . 1 1 81 81 LYS CA C 13 56.978 0.2 . 1 . . . . 81 LYS CA . 15101 1 455 . 1 1 81 81 LYS CB C 13 31.234 0.2 . 1 . . . . 81 LYS CB . 15101 1 456 . 1 1 81 81 LYS N N 15 114.619 0.2 . 1 . . . . 81 LYS N . 15101 1 457 . 1 1 82 82 VAL H H 1 7.368 0.02 . 1 . . . . 82 VAL H . 15101 1 458 . 1 1 82 82 VAL HA H 1 4.33 0.02 . 1 . . . . 82 VAL HA . 15101 1 459 . 1 1 82 82 VAL C C 13 176.733 0.2 . 1 . . . . 82 VAL C . 15101 1 460 . 1 1 82 82 VAL CA C 13 63.387 0.2 . 1 . . . . 82 VAL CA . 15101 1 461 . 1 1 82 82 VAL CB C 13 32.203 0.2 . 1 . . . . 82 VAL CB . 15101 1 462 . 1 1 82 82 VAL N N 15 119.649 0.2 . 1 . . . . 82 VAL N . 15101 1 463 . 1 1 83 83 VAL H H 1 9.197 0.02 . 1 . . . . 83 VAL H . 15101 1 464 . 1 1 83 83 VAL HA H 1 4.262 0.02 . 1 . . . . 83 VAL HA . 15101 1 465 . 1 1 83 83 VAL C C 13 176.068 0.2 . 1 . . . . 83 VAL C . 15101 1 466 . 1 1 83 83 VAL CA C 13 62.49 0.2 . 1 . . . . 83 VAL CA . 15101 1 467 . 1 1 83 83 VAL CB C 13 33.504 0.2 . 1 . . . . 83 VAL CB . 15101 1 468 . 1 1 83 83 VAL N N 15 126.41 0.2 . 1 . . . . 83 VAL N . 15101 1 469 . 1 1 84 84 GLN H H 1 7.569 0.02 . 1 . . . . 84 GLN H . 15101 1 470 . 1 1 84 84 GLN HA H 1 4.61 0.02 . 1 . . . . 84 GLN HA . 15101 1 471 . 1 1 84 84 GLN C C 13 173.232 0.2 . 1 . . . . 84 GLN C . 15101 1 472 . 1 1 84 84 GLN CA C 13 56.2 0.2 . 1 . . . . 84 GLN CA . 15101 1 473 . 1 1 84 84 GLN CB C 13 32.901 0.2 . 1 . . . . 84 GLN CB . 15101 1 474 . 1 1 84 84 GLN N N 15 119.474 0.2 . 1 . . . . 84 GLN N . 15101 1 475 . 1 1 85 85 THR H H 1 8.007 0.02 . 1 . . . . 85 THR H . 15101 1 476 . 1 1 85 85 THR HA H 1 5.183 0.02 . 1 . . . . 85 THR HA . 15101 1 477 . 1 1 85 85 THR C C 13 172.37 0.2 . 1 . . . . 85 THR C . 15101 1 478 . 1 1 85 85 THR CA C 13 61.937 0.2 . 1 . . . . 85 THR CA . 15101 1 479 . 1 1 85 85 THR CB C 13 70.24 0.2 . 1 . . . . 85 THR CB . 15101 1 480 . 1 1 85 85 THR N N 15 121.891 0.2 . 1 . . . . 85 THR N . 15101 1 481 . 1 1 86 86 LEU H H 1 9.287 0.02 . 1 . . . . 86 LEU H . 15101 1 482 . 1 1 86 86 LEU HA H 1 4.765 0.02 . 1 . . . . 86 LEU HA . 15101 1 483 . 1 1 86 86 LEU CA C 13 56.951 0.2 . 1 . . . . 86 LEU CA . 15101 1 484 . 1 1 86 86 LEU CB C 13 45.677 0.2 . 1 . . . . 86 LEU CB . 15101 1 485 . 1 1 86 86 LEU N N 15 132.97 0.2 . 1 . . . . 86 LEU N . 15101 1 stop_ save_