data_19585 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19585 _Entry.Title ; Solution structure of a computational designed dimer based on the engrailed homeodomain structure ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-10-26 _Entry.Accession_date 2013-10-26 _Entry.Last_release_date 2015-04-07 _Entry.Original_release_date 2015-04-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yun Mou . . . 19585 2 Po-Ssu Huang . . . 19585 3 Fang-Ciao Hsu . . . 19585 4 Shing-Jong Huang . . . 19585 5 Stephen Mayo . L. . 19585 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19585 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID helix-turn-helix . 19585 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19585 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 260 19585 '15N chemical shifts' 63 19585 '1H chemical shifts' 414 19585 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 . . 2015-04-07 2013-10-26 original author . 19585 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2mg4 'BMRB Entry Tracking System' 19585 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19585 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Computational design and experimental verification of a symmetric homodimer' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Yun Mou . . . 19585 1 2 Po-Ssu Huang . . . 19585 1 3 Fang-Ciao Hsu . . . 19585 1 4 Shing-Jong Huang . . . 19585 1 5 Stephen Mayo . L. . 19585 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19585 _Assembly.ID 1 _Assembly.Name 'computational designed dimer based on the engrailed homeodomain structure' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 entity_1 1 $entity A . yes native no no . . . 19585 1 2 entity_2 1 $entity B . yes native no no . . . 19585 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19585 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MEKRPRTEFSEEQKKALDLA FYFDRRLTPEWRRYLSQRLG LNEEQIERWFRRKEQQIGWS HPQFEK ; _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 66 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8446.623 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2MG4 . "Computational Design And Experimental Verification Of A Symmetric Protein Homodimer" . . . . . 100.00 66 100.00 100.00 3.92e-38 . . . . 19585 1 2 no PDB 4NDL . "Computational Design And Experimental Verification Of A Symmetric Homodimer" . . . . . 77.27 72 100.00 100.00 9.09e-27 . . . . 19585 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 . 19585 1 2 . GLU . 19585 1 3 . LYS . 19585 1 4 . ARG . 19585 1 5 . PRO . 19585 1 6 . ARG . 19585 1 7 . THR . 19585 1 8 . GLU . 19585 1 9 . PHE . 19585 1 10 . SER . 19585 1 11 . GLU . 19585 1 12 . GLU . 19585 1 13 . GLN . 19585 1 14 . LYS . 19585 1 15 . LYS . 19585 1 16 . ALA . 19585 1 17 . LEU . 19585 1 18 . ASP . 19585 1 19 . LEU . 19585 1 20 . ALA . 19585 1 21 . PHE . 19585 1 22 . TYR . 19585 1 23 . PHE . 19585 1 24 . ASP . 19585 1 25 . ARG . 19585 1 26 . ARG . 19585 1 27 . LEU . 19585 1 28 . THR . 19585 1 29 . PRO . 19585 1 30 . GLU . 19585 1 31 . TRP . 19585 1 32 . ARG . 19585 1 33 . ARG . 19585 1 34 . TYR . 19585 1 35 . LEU . 19585 1 36 . SER . 19585 1 37 . GLN . 19585 1 38 . ARG . 19585 1 39 . LEU . 19585 1 40 . GLY . 19585 1 41 . LEU . 19585 1 42 . ASN . 19585 1 43 . GLU . 19585 1 44 . GLU . 19585 1 45 . GLN . 19585 1 46 . ILE . 19585 1 47 . GLU . 19585 1 48 . ARG . 19585 1 49 . TRP . 19585 1 50 . PHE . 19585 1 51 . ARG . 19585 1 52 . ARG . 19585 1 53 . LYS . 19585 1 54 . GLU . 19585 1 55 . GLN . 19585 1 56 . GLN . 19585 1 57 . ILE . 19585 1 58 . GLY . 19585 1 59 . TRP . 19585 1 60 . SER . 19585 1 61 . HIS . 19585 1 62 . PRO . 19585 1 63 . GLN . 19585 1 64 . PHE . 19585 1 65 . GLU . 19585 1 66 . LYS . 19585 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 19585 1 . GLU 2 2 19585 1 . LYS 3 3 19585 1 . ARG 4 4 19585 1 . PRO 5 5 19585 1 . ARG 6 6 19585 1 . THR 7 7 19585 1 . GLU 8 8 19585 1 . PHE 9 9 19585 1 . SER 10 10 19585 1 . GLU 11 11 19585 1 . GLU 12 12 19585 1 . GLN 13 13 19585 1 . LYS 14 14 19585 1 . LYS 15 15 19585 1 . ALA 16 16 19585 1 . LEU 17 17 19585 1 . ASP 18 18 19585 1 . LEU 19 19 19585 1 . ALA 20 20 19585 1 . PHE 21 21 19585 1 . TYR 22 22 19585 1 . PHE 23 23 19585 1 . ASP 24 24 19585 1 . ARG 25 25 19585 1 . ARG 26 26 19585 1 . LEU 27 27 19585 1 . THR 28 28 19585 1 . PRO 29 29 19585 1 . GLU 30 30 19585 1 . TRP 31 31 19585 1 . ARG 32 32 19585 1 . ARG 33 33 19585 1 . TYR 34 34 19585 1 . LEU 35 35 19585 1 . SER 36 36 19585 1 . GLN 37 37 19585 1 . ARG 38 38 19585 1 . LEU 39 39 19585 1 . GLY 40 40 19585 1 . LEU 41 41 19585 1 . ASN 42 42 19585 1 . GLU 43 43 19585 1 . GLU 44 44 19585 1 . GLN 45 45 19585 1 . ILE 46 46 19585 1 . GLU 47 47 19585 1 . ARG 48 48 19585 1 . TRP 49 49 19585 1 . PHE 50 50 19585 1 . ARG 51 51 19585 1 . ARG 52 52 19585 1 . LYS 53 53 19585 1 . GLU 54 54 19585 1 . GLN 55 55 19585 1 . GLN 56 56 19585 1 . ILE 57 57 19585 1 . GLY 58 58 19585 1 . TRP 59 59 19585 1 . SER 60 60 19585 1 . HIS 61 61 19585 1 . PRO 62 62 19585 1 . GLN 63 63 19585 1 . PHE 64 64 19585 1 . GLU 65 65 19585 1 . LYS 66 66 19585 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 19585 _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 $entity . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 19585 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 19585 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET11a . . . . . . 19585 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19585 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1.9 . . mg/mL . . . . 19585 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19585 1 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 19585 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 19585 1 5 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 19585 1 6 'ammonium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 19585 1 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19585 1 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19585 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 19585 _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' 0.1 . M 19585 1 pH 4.5 . pH 19585 1 pressure 1 . atm 19585 1 temperature 310 . K 19585 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 19585 _Software.ID 1 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 19585 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19585 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 19585 _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 19585 _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 . . . 19585 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 19585 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19585 1 2 '2D 1H-13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19585 1 3 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19585 1 4 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19585 1 5 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19585 1 6 '3D HBHA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19585 1 7 '3D H(CCO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19585 1 8 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19585 1 9 '3D HNHA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19585 1 10 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19585 1 11 '3D 1H-13C NOESY aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19585 1 12 '3D 1H-13C NOESY aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19585 1 13 '3D HCCH-COSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19585 1 14 '3D HCACO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19585 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19585 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $ARIA _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 19585 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1.0 . . . . . . . . . 19585 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 19585 _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' 1 $sample_1 . 19585 1 2 '2D 1H-13C HSQC' 1 $sample_1 . 19585 1 3 '3D CBCA(CO)NH' 1 $sample_1 . 19585 1 4 '3D HNCO' 1 $sample_1 . 19585 1 5 '3D HNCACB' 1 $sample_1 . 19585 1 6 '3D HBHA(CO)NH' 1 $sample_1 . 19585 1 7 '3D H(CCO)NH' 1 $sample_1 . 19585 1 8 '3D HCCH-TOCSY' 1 $sample_1 . 19585 1 9 '3D HNHA' 1 $sample_1 . 19585 1 10 '3D 1H-15N NOESY' 1 $sample_1 . 19585 1 11 '3D 1H-13C NOESY aliphatic' 1 $sample_1 . 19585 1 12 '3D 1H-13C NOESY aromatic' 1 $sample_1 . 19585 1 13 '3D HCCH-COSY' 1 $sample_1 . 19585 1 14 '3D HCACO' 1 $sample_1 . 19585 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.139 0.003 . . . . . A 1 MET HA . 19585 1 2 . 1 1 1 1 MET HB3 H 1 2.151 0.000 . . . . . A 1 MET HB3 . 19585 1 3 . 1 1 1 1 MET C C 13 172.003 0.003 . . . . . A 1 MET C . 19585 1 4 . 1 1 1 1 MET CA C 13 54.770 0.044 . . . . . A 1 MET CA . 19585 1 5 . 1 1 1 1 MET CB C 13 32.556 0.072 . . . . . A 1 MET CB . 19585 1 6 . 1 1 1 1 MET CG C 13 30.427 0.000 . . . . . A 1 MET CG . 19585 1 7 . 1 1 2 2 GLU H H 1 8.763 0.003 . . . . . A 2 GLU H . 19585 1 8 . 1 1 2 2 GLU HA H 1 4.370 0.010 . . . . . A 2 GLU HA . 19585 1 9 . 1 1 2 2 GLU HB2 H 1 2.029 0.008 . . . . . A 2 GLU HB2 . 19585 1 10 . 1 1 2 2 GLU HB3 H 1 1.930 0.009 . . . . . A 2 GLU HB3 . 19585 1 11 . 1 1 2 2 GLU HG3 H 1 2.287 0.022 . . . . . A 2 GLU HG3 . 19585 1 12 . 1 1 2 2 GLU C C 13 175.591 0.057 . . . . . A 2 GLU C . 19585 1 13 . 1 1 2 2 GLU CA C 13 55.941 0.034 . . . . . A 2 GLU CA . 19585 1 14 . 1 1 2 2 GLU CB C 13 30.008 0.070 . . . . . A 2 GLU CB . 19585 1 15 . 1 1 2 2 GLU CG C 13 35.425 0.047 . . . . . A 2 GLU CG . 19585 1 16 . 1 1 2 2 GLU N N 15 124.541 0.010 . . . . . A 2 GLU N . 19585 1 17 . 1 1 3 3 LYS H H 1 8.455 0.002 . . . . . A 3 LYS H . 19585 1 18 . 1 1 3 3 LYS HA H 1 4.289 0.005 . . . . . A 3 LYS HA . 19585 1 19 . 1 1 3 3 LYS HB2 H 1 1.726 0.013 . . . . . A 3 LYS HB2 . 19585 1 20 . 1 1 3 3 LYS HB3 H 1 1.775 0.020 . . . . . A 3 LYS HB3 . 19585 1 21 . 1 1 3 3 LYS HG2 H 1 1.444 0.006 . . . . . A 3 LYS HG2 . 19585 1 22 . 1 1 3 3 LYS HG3 H 1 1.376 0.006 . . . . . A 3 LYS HG3 . 19585 1 23 . 1 1 3 3 LYS HD3 H 1 1.664 0.011 . . . . . A 3 LYS HD3 . 19585 1 24 . 1 1 3 3 LYS HE2 H 1 2.974 0.007 . . . . . A 3 LYS HE2 . 19585 1 25 . 1 1 3 3 LYS HE3 H 1 2.994 0.000 . . . . . A 3 LYS HE3 . 19585 1 26 . 1 1 3 3 LYS C C 13 176.040 0.019 . . . . . A 3 LYS C . 19585 1 27 . 1 1 3 3 LYS CA C 13 55.997 0.041 . . . . . A 3 LYS CA . 19585 1 28 . 1 1 3 3 LYS CB C 13 32.657 0.050 . . . . . A 3 LYS CB . 19585 1 29 . 1 1 3 3 LYS CG C 13 24.414 0.048 . . . . . A 3 LYS CG . 19585 1 30 . 1 1 3 3 LYS CD C 13 28.833 0.037 . . . . . A 3 LYS CD . 19585 1 31 . 1 1 3 3 LYS CE C 13 41.845 0.040 . . . . . A 3 LYS CE . 19585 1 32 . 1 1 3 3 LYS N N 15 123.564 0.024 . . . . . A 3 LYS N . 19585 1 33 . 1 1 4 4 ARG H H 1 8.294 0.003 . . . . . A 4 ARG H . 19585 1 34 . 1 1 4 4 ARG HA H 1 4.623 0.008 . . . . . A 4 ARG HA . 19585 1 35 . 1 1 4 4 ARG HB2 H 1 1.829 0.016 . . . . . A 4 ARG HB2 . 19585 1 36 . 1 1 4 4 ARG HB3 H 1 1.700 0.010 . . . . . A 4 ARG HB3 . 19585 1 37 . 1 1 4 4 ARG HG3 H 1 1.661 0.007 . . . . . A 4 ARG HG3 . 19585 1 38 . 1 1 4 4 ARG HD3 H 1 3.197 0.003 . . . . . A 4 ARG HD3 . 19585 1 39 . 1 1 4 4 ARG C C 13 174.021 0.005 . . . . . A 4 ARG C . 19585 1 40 . 1 1 4 4 ARG CA C 13 53.459 0.040 . . . . . A 4 ARG CA . 19585 1 41 . 1 1 4 4 ARG CB C 13 29.919 0.000 . . . . . A 4 ARG CB . 19585 1 42 . 1 1 4 4 ARG N N 15 123.374 0.034 . . . . . A 4 ARG N . 19585 1 43 . 1 1 5 5 PRO HA H 1 4.418 0.004 . . . . . A 5 PRO HA . 19585 1 44 . 1 1 5 5 PRO HB2 H 1 2.283 0.004 . . . . . A 5 PRO HB2 . 19585 1 45 . 1 1 5 5 PRO HB3 H 1 1.874 0.004 . . . . . A 5 PRO HB3 . 19585 1 46 . 1 1 5 5 PRO C C 13 176.696 0.006 . . . . . A 5 PRO C . 19585 1 47 . 1 1 5 5 PRO CA C 13 62.686 0.039 . . . . . A 5 PRO CA . 19585 1 48 . 1 1 5 5 PRO CB C 13 31.882 0.058 . . . . . A 5 PRO CB . 19585 1 49 . 1 1 5 5 PRO CG C 13 26.988 0.000 . . . . . A 5 PRO CG . 19585 1 50 . 1 1 5 5 PRO CD C 13 50.433 0.000 . . . . . A 5 PRO CD . 19585 1 51 . 1 1 5 5 PRO N N 15 136.738 0.000 . . . . . A 5 PRO N . 19585 1 52 . 1 1 6 6 ARG H H 1 8.419 0.002 . . . . . A 6 ARG H . 19585 1 53 . 1 1 6 6 ARG HA H 1 4.341 0.006 . . . . . A 6 ARG HA . 19585 1 54 . 1 1 6 6 ARG HB2 H 1 1.815 0.009 . . . . . A 6 ARG HB2 . 19585 1 55 . 1 1 6 6 ARG HB3 H 1 1.839 0.015 . . . . . A 6 ARG HB3 . 19585 1 56 . 1 1 6 6 ARG HG3 H 1 1.648 0.014 . . . . . A 6 ARG HG3 . 19585 1 57 . 1 1 6 6 ARG HD3 H 1 3.199 0.005 . . . . . A 6 ARG HD3 . 19585 1 58 . 1 1 6 6 ARG C C 13 176.424 0.010 . . . . . A 6 ARG C . 19585 1 59 . 1 1 6 6 ARG CA C 13 56.006 0.037 . . . . . A 6 ARG CA . 19585 1 60 . 1 1 6 6 ARG CB C 13 30.430 0.024 . . . . . A 6 ARG CB . 19585 1 61 . 1 1 6 6 ARG CG C 13 26.827 0.094 . . . . . A 6 ARG CG . 19585 1 62 . 1 1 6 6 ARG CD C 13 43.130 0.047 . . . . . A 6 ARG CD . 19585 1 63 . 1 1 6 6 ARG N N 15 121.552 0.027 . . . . . A 6 ARG N . 19585 1 64 . 1 1 7 7 THR H H 1 8.074 0.005 . . . . . A 7 THR H . 19585 1 65 . 1 1 7 7 THR HA H 1 4.324 0.004 . . . . . A 7 THR HA . 19585 1 66 . 1 1 7 7 THR HB H 1 4.190 0.003 . . . . . A 7 THR HB . 19585 1 67 . 1 1 7 7 THR HG1 H 1 4.472 0.000 . . . . . A 7 THR HG1 . 19585 1 68 . 1 1 7 7 THR HG21 H 1 1.152 0.003 . . . . . A 7 THR HG21 . 19585 1 69 . 1 1 7 7 THR HG22 H 1 1.152 0.003 . . . . . A 7 THR HG22 . 19585 1 70 . 1 1 7 7 THR HG23 H 1 1.152 0.003 . . . . . A 7 THR HG23 . 19585 1 71 . 1 1 7 7 THR C C 13 174.013 0.004 . . . . . A 7 THR C . 19585 1 72 . 1 1 7 7 THR CA C 13 61.136 0.042 . . . . . A 7 THR CA . 19585 1 73 . 1 1 7 7 THR CB C 13 69.546 0.045 . . . . . A 7 THR CB . 19585 1 74 . 1 1 7 7 THR CG2 C 13 21.221 0.000 . . . . . A 7 THR CG2 . 19585 1 75 . 1 1 7 7 THR N N 15 115.248 0.020 . . . . . A 7 THR N . 19585 1 76 . 1 1 8 8 GLU H H 1 8.277 0.007 . . . . . A 8 GLU H . 19585 1 77 . 1 1 8 8 GLU HA H 1 4.125 0.006 . . . . . A 8 GLU HA . 19585 1 78 . 1 1 8 8 GLU HB3 H 1 1.805 0.008 . . . . . A 8 GLU HB3 . 19585 1 79 . 1 1 8 8 GLU HG3 H 1 2.045 0.007 . . . . . A 8 GLU HG3 . 19585 1 80 . 1 1 8 8 GLU C C 13 175.398 0.007 . . . . . A 8 GLU C . 19585 1 81 . 1 1 8 8 GLU CA C 13 56.663 0.069 . . . . . A 8 GLU CA . 19585 1 82 . 1 1 8 8 GLU CB C 13 30.203 0.055 . . . . . A 8 GLU CB . 19585 1 83 . 1 1 8 8 GLU CG C 13 35.203 0.039 . . . . . A 8 GLU CG . 19585 1 84 . 1 1 8 8 GLU N N 15 124.006 0.015 . . . . . A 8 GLU N . 19585 1 85 . 1 1 9 9 PHE H H 1 7.995 0.005 . . . . . A 9 PHE H . 19585 1 86 . 1 1 9 9 PHE HA H 1 4.955 0.005 . . . . . A 9 PHE HA . 19585 1 87 . 1 1 9 9 PHE HB2 H 1 3.056 0.012 . . . . . A 9 PHE HB2 . 19585 1 88 . 1 1 9 9 PHE HB3 H 1 2.814 0.007 . . . . . A 9 PHE HB3 . 19585 1 89 . 1 1 9 9 PHE HD1 H 1 7.093 0.007 . . . . . A 9 PHE HD1 . 19585 1 90 . 1 1 9 9 PHE HD2 H 1 7.093 0.007 . . . . . A 9 PHE HD2 . 19585 1 91 . 1 1 9 9 PHE HE1 H 1 7.096 0.009 . . . . . A 9 PHE HE1 . 19585 1 92 . 1 1 9 9 PHE HE2 H 1 7.096 0.009 . . . . . A 9 PHE HE2 . 19585 1 93 . 1 1 9 9 PHE HZ H 1 7.096 0.009 . . . . . A 9 PHE HZ . 19585 1 94 . 1 1 9 9 PHE C C 13 175.936 0.004 . . . . . A 9 PHE C . 19585 1 95 . 1 1 9 9 PHE CA C 13 55.393 0.057 . . . . . A 9 PHE CA . 19585 1 96 . 1 1 9 9 PHE CB C 13 40.366 0.070 . . . . . A 9 PHE CB . 19585 1 97 . 1 1 9 9 PHE CD1 C 13 131.422 0.059 . . . . . A 9 PHE CD1 . 19585 1 98 . 1 1 9 9 PHE CD2 C 13 131.422 0.059 . . . . . A 9 PHE CD2 . 19585 1 99 . 1 1 9 9 PHE N N 15 118.514 0.027 . . . . . A 9 PHE N . 19585 1 100 . 1 1 10 10 SER H H 1 9.115 0.004 . . . . . A 10 SER H . 19585 1 101 . 1 1 10 10 SER HA H 1 4.571 0.010 . . . . . A 10 SER HA . 19585 1 102 . 1 1 10 10 SER HB2 H 1 4.424 0.016 . . . . . A 10 SER HB2 . 19585 1 103 . 1 1 10 10 SER HB3 H 1 3.971 0.005 . . . . . A 10 SER HB3 . 19585 1 104 . 1 1 10 10 SER C C 13 174.977 0.010 . . . . . A 10 SER C . 19585 1 105 . 1 1 10 10 SER CA C 13 56.762 0.052 . . . . . A 10 SER CA . 19585 1 106 . 1 1 10 10 SER CB C 13 65.096 0.057 . . . . . A 10 SER CB . 19585 1 107 . 1 1 10 10 SER N N 15 119.578 0.026 . . . . . A 10 SER N . 19585 1 108 . 1 1 11 11 GLU H H 1 9.034 0.005 . . . . . A 11 GLU H . 19585 1 109 . 1 1 11 11 GLU HA H 1 4.020 0.018 . . . . . A 11 GLU HA . 19585 1 110 . 1 1 11 11 GLU HB3 H 1 2.084 0.008 . . . . . A 11 GLU HB3 . 19585 1 111 . 1 1 11 11 GLU C C 13 178.918 0.003 . . . . . A 11 GLU C . 19585 1 112 . 1 1 11 11 GLU CA C 13 59.612 0.096 . . . . . A 11 GLU CA . 19585 1 113 . 1 1 11 11 GLU CB C 13 28.450 0.079 . . . . . A 11 GLU CB . 19585 1 114 . 1 1 11 11 GLU CG C 13 35.451 0.000 . . . . . A 11 GLU CG . 19585 1 115 . 1 1 11 11 GLU N N 15 121.401 0.031 . . . . . A 11 GLU N . 19585 1 116 . 1 1 12 12 GLU H H 1 8.554 0.009 . . . . . A 12 GLU H . 19585 1 117 . 1 1 12 12 GLU HA H 1 3.993 0.015 . . . . . A 12 GLU HA . 19585 1 118 . 1 1 12 12 GLU HB2 H 1 2.002 0.011 . . . . . A 12 GLU HB2 . 19585 1 119 . 1 1 12 12 GLU HB3 H 1 1.935 0.003 . . . . . A 12 GLU HB3 . 19585 1 120 . 1 1 12 12 GLU HG3 H 1 2.326 0.008 . . . . . A 12 GLU HG3 . 19585 1 121 . 1 1 12 12 GLU C C 13 179.489 0.009 . . . . . A 12 GLU C . 19585 1 122 . 1 1 12 12 GLU CA C 13 59.448 0.095 . . . . . A 12 GLU CA . 19585 1 123 . 1 1 12 12 GLU CB C 13 28.574 0.068 . . . . . A 12 GLU CB . 19585 1 124 . 1 1 12 12 GLU CG C 13 35.848 0.042 . . . . . A 12 GLU CG . 19585 1 125 . 1 1 12 12 GLU N N 15 117.977 0.016 . . . . . A 12 GLU N . 19585 1 126 . 1 1 13 13 GLN H H 1 7.781 0.004 . . . . . A 13 GLN H . 19585 1 127 . 1 1 13 13 GLN HA H 1 3.805 0.007 . . . . . A 13 GLN HA . 19585 1 128 . 1 1 13 13 GLN HB2 H 1 1.997 0.002 . . . . . A 13 GLN HB2 . 19585 1 129 . 1 1 13 13 GLN HB3 H 1 2.511 0.006 . . . . . A 13 GLN HB3 . 19585 1 130 . 1 1 13 13 GLN HG2 H 1 2.260 0.020 . . . . . A 13 GLN HG2 . 19585 1 131 . 1 1 13 13 GLN HG3 H 1 2.399 0.000 . . . . . A 13 GLN HG3 . 19585 1 132 . 1 1 13 13 GLN C C 13 177.230 0.003 . . . . . A 13 GLN C . 19585 1 133 . 1 1 13 13 GLN CA C 13 58.867 0.064 . . . . . A 13 GLN CA . 19585 1 134 . 1 1 13 13 GLN CB C 13 27.840 0.087 . . . . . A 13 GLN CB . 19585 1 135 . 1 1 13 13 GLN CG C 13 34.696 0.082 . . . . . A 13 GLN CG . 19585 1 136 . 1 1 13 13 GLN N N 15 119.707 0.044 . . . . . A 13 GLN N . 19585 1 137 . 1 1 14 14 LYS H H 1 8.225 0.009 . . . . . A 14 LYS H . 19585 1 138 . 1 1 14 14 LYS HA H 1 3.295 0.004 . . . . . A 14 LYS HA . 19585 1 139 . 1 1 14 14 LYS HB2 H 1 1.885 0.015 . . . . . A 14 LYS HB2 . 19585 1 140 . 1 1 14 14 LYS HB3 H 1 1.859 0.010 . . . . . A 14 LYS HB3 . 19585 1 141 . 1 1 14 14 LYS HG3 H 1 1.229 0.003 . . . . . A 14 LYS HG3 . 19585 1 142 . 1 1 14 14 LYS HD3 H 1 1.609 0.012 . . . . . A 14 LYS HD3 . 19585 1 143 . 1 1 14 14 LYS HE3 H 1 2.984 0.025 . . . . . A 14 LYS HE3 . 19585 1 144 . 1 1 14 14 LYS C C 13 178.112 0.014 . . . . . A 14 LYS C . 19585 1 145 . 1 1 14 14 LYS CA C 13 60.137 0.033 . . . . . A 14 LYS CA . 19585 1 146 . 1 1 14 14 LYS CB C 13 32.002 0.052 . . . . . A 14 LYS CB . 19585 1 147 . 1 1 14 14 LYS CG C 13 25.560 0.000 . . . . . A 14 LYS CG . 19585 1 148 . 1 1 14 14 LYS CD C 13 28.657 0.000 . . . . . A 14 LYS CD . 19585 1 149 . 1 1 14 14 LYS CE C 13 41.807 0.000 . . . . . A 14 LYS CE . 19585 1 150 . 1 1 14 14 LYS N N 15 118.090 0.034 . . . . . A 14 LYS N . 19585 1 151 . 1 1 15 15 LYS H H 1 7.782 0.007 . . . . . A 15 LYS H . 19585 1 152 . 1 1 15 15 LYS HA H 1 4.067 0.017 . . . . . A 15 LYS HA . 19585 1 153 . 1 1 15 15 LYS HB3 H 1 1.841 0.006 . . . . . A 15 LYS HB3 . 19585 1 154 . 1 1 15 15 LYS HG3 H 1 1.445 0.005 . . . . . A 15 LYS HG3 . 19585 1 155 . 1 1 15 15 LYS HD3 H 1 1.608 0.012 . . . . . A 15 LYS HD3 . 19585 1 156 . 1 1 15 15 LYS HE3 H 1 2.962 0.010 . . . . . A 15 LYS HE3 . 19585 1 157 . 1 1 15 15 LYS C C 13 178.895 0.008 . . . . . A 15 LYS C . 19585 1 158 . 1 1 15 15 LYS CA C 13 58.979 0.037 . . . . . A 15 LYS CA . 19585 1 159 . 1 1 15 15 LYS CB C 13 32.140 0.026 . . . . . A 15 LYS CB . 19585 1 160 . 1 1 15 15 LYS CG C 13 25.007 0.065 . . . . . A 15 LYS CG . 19585 1 161 . 1 1 15 15 LYS CD C 13 29.153 0.000 . . . . . A 15 LYS CD . 19585 1 162 . 1 1 15 15 LYS CE C 13 41.530 0.000 . . . . . A 15 LYS CE . 19585 1 163 . 1 1 15 15 LYS N N 15 117.469 0.040 . . . . . A 15 LYS N . 19585 1 164 . 1 1 16 16 ALA H H 1 7.624 0.005 . . . . . A 16 ALA H . 19585 1 165 . 1 1 16 16 ALA HA H 1 4.109 0.015 . . . . . A 16 ALA HA . 19585 1 166 . 1 1 16 16 ALA HB1 H 1 1.405 0.007 . . . . . A 16 ALA HB1 . 19585 1 167 . 1 1 16 16 ALA HB2 H 1 1.405 0.007 . . . . . A 16 ALA HB2 . 19585 1 168 . 1 1 16 16 ALA HB3 H 1 1.405 0.007 . . . . . A 16 ALA HB3 . 19585 1 169 . 1 1 16 16 ALA C C 13 179.645 0.012 . . . . . A 16 ALA C . 19585 1 170 . 1 1 16 16 ALA CA C 13 54.699 0.062 . . . . . A 16 ALA CA . 19585 1 171 . 1 1 16 16 ALA CB C 13 18.931 0.068 . . . . . A 16 ALA CB . 19585 1 172 . 1 1 16 16 ALA N N 15 121.158 0.024 . . . . . A 16 ALA N . 19585 1 173 . 1 1 17 17 LEU H H 1 8.106 0.008 . . . . . A 17 LEU H . 19585 1 174 . 1 1 17 17 LEU HA H 1 3.569 0.012 . . . . . A 17 LEU HA . 19585 1 175 . 1 1 17 17 LEU HB2 H 1 0.666 0.016 . . . . . A 17 LEU HB2 . 19585 1 176 . 1 1 17 17 LEU HB3 H 1 -0.433 0.012 . . . . . A 17 LEU HB3 . 19585 1 177 . 1 1 17 17 LEU HG H 1 1.042 0.012 . . . . . A 17 LEU HG . 19585 1 178 . 1 1 17 17 LEU HD11 H 1 0.388 0.018 . . . . . A 17 LEU HD11 . 19585 1 179 . 1 1 17 17 LEU HD12 H 1 0.388 0.018 . . . . . A 17 LEU HD12 . 19585 1 180 . 1 1 17 17 LEU HD13 H 1 0.388 0.018 . . . . . A 17 LEU HD13 . 19585 1 181 . 1 1 17 17 LEU HD21 H 1 -0.426 0.009 . . . . . A 17 LEU HD21 . 19585 1 182 . 1 1 17 17 LEU HD22 H 1 -0.426 0.009 . . . . . A 17 LEU HD22 . 19585 1 183 . 1 1 17 17 LEU HD23 H 1 -0.426 0.009 . . . . . A 17 LEU HD23 . 19585 1 184 . 1 1 17 17 LEU C C 13 178.076 0.004 . . . . . A 17 LEU C . 19585 1 185 . 1 1 17 17 LEU CA C 13 57.555 0.056 . . . . . A 17 LEU CA . 19585 1 186 . 1 1 17 17 LEU CB C 13 38.604 0.059 . . . . . A 17 LEU CB . 19585 1 187 . 1 1 17 17 LEU CD1 C 13 26.080 0.086 . . . . . A 17 LEU CD1 . 19585 1 188 . 1 1 17 17 LEU CD2 C 13 23.844 0.045 . . . . . A 17 LEU CD2 . 19585 1 189 . 1 1 17 17 LEU N N 15 119.559 0.049 . . . . . A 17 LEU N . 19585 1 190 . 1 1 18 18 ASP H H 1 7.793 0.009 . . . . . A 18 ASP H . 19585 1 191 . 1 1 18 18 ASP HA H 1 4.530 0.007 . . . . . A 18 ASP HA . 19585 1 192 . 1 1 18 18 ASP HB2 H 1 2.927 0.008 . . . . . A 18 ASP HB2 . 19585 1 193 . 1 1 18 18 ASP HB3 H 1 2.707 0.003 . . . . . A 18 ASP HB3 . 19585 1 194 . 1 1 18 18 ASP C C 13 178.373 0.023 . . . . . A 18 ASP C . 19585 1 195 . 1 1 18 18 ASP CA C 13 57.560 0.048 . . . . . A 18 ASP CA . 19585 1 196 . 1 1 18 18 ASP CB C 13 40.147 0.013 . . . . . A 18 ASP CB . 19585 1 197 . 1 1 18 18 ASP N N 15 119.158 0.087 . . . . . A 18 ASP N . 19585 1 198 . 1 1 19 19 LEU H H 1 7.760 0.004 . . . . . A 19 LEU H . 19585 1 199 . 1 1 19 19 LEU HA H 1 4.282 0.008 . . . . . A 19 LEU HA . 19585 1 200 . 1 1 19 19 LEU HB3 H 1 1.770 0.008 . . . . . A 19 LEU HB3 . 19585 1 201 . 1 1 19 19 LEU HD21 H 1 0.984 0.009 . . . . . A 19 LEU HD21 . 19585 1 202 . 1 1 19 19 LEU HD22 H 1 0.984 0.009 . . . . . A 19 LEU HD22 . 19585 1 203 . 1 1 19 19 LEU HD23 H 1 0.984 0.009 . . . . . A 19 LEU HD23 . 19585 1 204 . 1 1 19 19 LEU C C 13 179.010 0.000 . . . . . A 19 LEU C . 19585 1 205 . 1 1 19 19 LEU CA C 13 58.028 0.027 . . . . . A 19 LEU CA . 19585 1 206 . 1 1 19 19 LEU CB C 13 41.953 0.065 . . . . . A 19 LEU CB . 19585 1 207 . 1 1 19 19 LEU CG C 13 26.871 0.015 . . . . . A 19 LEU CG . 19585 1 208 . 1 1 19 19 LEU CD2 C 13 23.656 0.053 . . . . . A 19 LEU CD2 . 19585 1 209 . 1 1 19 19 LEU N N 15 118.661 0.043 . . . . . A 19 LEU N . 19585 1 210 . 1 1 20 20 ALA H H 1 7.010 0.020 . . . . . A 20 ALA H . 19585 1 211 . 1 1 20 20 ALA HA H 1 4.034 0.016 . . . . . A 20 ALA HA . 19585 1 212 . 1 1 20 20 ALA HB1 H 1 1.521 0.005 . . . . . A 20 ALA HB1 . 19585 1 213 . 1 1 20 20 ALA HB2 H 1 1.521 0.005 . . . . . A 20 ALA HB2 . 19585 1 214 . 1 1 20 20 ALA HB3 H 1 1.521 0.005 . . . . . A 20 ALA HB3 . 19585 1 215 . 1 1 20 20 ALA C C 13 178.016 0.000 . . . . . A 20 ALA C . 19585 1 216 . 1 1 20 20 ALA CA C 13 55.402 0.044 . . . . . A 20 ALA CA . 19585 1 217 . 1 1 20 20 ALA CB C 13 18.754 0.033 . . . . . A 20 ALA CB . 19585 1 218 . 1 1 21 21 PHE H H 1 8.579 0.007 . . . . . A 21 PHE H . 19585 1 219 . 1 1 21 21 PHE HA H 1 4.698 0.008 . . . . . A 21 PHE HA . 19585 1 220 . 1 1 21 21 PHE HB3 H 1 3.271 0.000 . . . . . A 21 PHE HB3 . 19585 1 221 . 1 1 21 21 PHE HD1 H 1 6.868 0.022 . . . . . A 21 PHE HD1 . 19585 1 222 . 1 1 21 21 PHE HD2 H 1 6.868 0.022 . . . . . A 21 PHE HD2 . 19585 1 223 . 1 1 21 21 PHE HE1 H 1 6.871 0.023 . . . . . A 21 PHE HE1 . 19585 1 224 . 1 1 21 21 PHE HE2 H 1 6.871 0.023 . . . . . A 21 PHE HE2 . 19585 1 225 . 1 1 21 21 PHE HZ H 1 7.077 0.012 . . . . . A 21 PHE HZ . 19585 1 226 . 1 1 21 21 PHE C C 13 175.561 0.000 . . . . . A 21 PHE C . 19585 1 227 . 1 1 21 21 PHE CA C 13 56.915 0.059 . . . . . A 21 PHE CA . 19585 1 228 . 1 1 21 21 PHE N N 15 119.009 0.045 . . . . . A 21 PHE N . 19585 1 229 . 1 1 23 23 PHE HA H 1 4.355 0.008 . . . . . A 23 PHE HA . 19585 1 230 . 1 1 23 23 PHE HB3 H 1 2.974 0.000 . . . . . A 23 PHE HB3 . 19585 1 231 . 1 1 23 23 PHE N N 15 115.672 0.005 . . . . . A 23 PHE N . 19585 1 232 . 1 1 24 24 ASP H H 1 8.286 0.002 . . . . . A 24 ASP H . 19585 1 233 . 1 1 24 24 ASP HA H 1 4.945 0.010 . . . . . A 24 ASP HA . 19585 1 234 . 1 1 24 24 ASP HB2 H 1 1.926 0.002 . . . . . A 24 ASP HB2 . 19585 1 235 . 1 1 24 24 ASP HB3 H 1 2.022 0.000 . . . . . A 24 ASP HB3 . 19585 1 236 . 1 1 24 24 ASP C C 13 175.424 0.006 . . . . . A 24 ASP C . 19585 1 237 . 1 1 24 24 ASP CA C 13 55.794 0.000 . . . . . A 24 ASP CA . 19585 1 238 . 1 1 24 24 ASP N N 15 119.725 0.055 . . . . . A 24 ASP N . 19585 1 239 . 1 1 25 25 ARG H H 1 8.398 0.002 . . . . . A 25 ARG H . 19585 1 240 . 1 1 25 25 ARG HA H 1 4.261 0.006 . . . . . A 25 ARG HA . 19585 1 241 . 1 1 25 25 ARG HB3 H 1 1.760 0.008 . . . . . A 25 ARG HB3 . 19585 1 242 . 1 1 25 25 ARG C C 13 175.296 0.021 . . . . . A 25 ARG C . 19585 1 243 . 1 1 25 25 ARG CA C 13 56.053 0.012 . . . . . A 25 ARG CA . 19585 1 244 . 1 1 25 25 ARG CB C 13 32.743 0.011 . . . . . A 25 ARG CB . 19585 1 245 . 1 1 25 25 ARG N N 15 124.145 0.053 . . . . . A 25 ARG N . 19585 1 246 . 1 1 26 26 ARG H H 1 8.110 0.002 . . . . . A 26 ARG H . 19585 1 247 . 1 1 26 26 ARG HA H 1 4.404 0.005 . . . . . A 26 ARG HA . 19585 1 248 . 1 1 26 26 ARG HB2 H 1 1.744 0.000 . . . . . A 26 ARG HB2 . 19585 1 249 . 1 1 26 26 ARG HB3 H 1 1.673 0.011 . . . . . A 26 ARG HB3 . 19585 1 250 . 1 1 26 26 ARG HD3 H 1 3.175 0.002 . . . . . A 26 ARG HD3 . 19585 1 251 . 1 1 26 26 ARG C C 13 174.287 0.000 . . . . . A 26 ARG C . 19585 1 252 . 1 1 26 26 ARG CA C 13 53.127 0.087 . . . . . A 26 ARG CA . 19585 1 253 . 1 1 26 26 ARG CB C 13 31.506 0.050 . . . . . A 26 ARG CB . 19585 1 254 . 1 1 26 26 ARG N N 15 122.273 0.019 . . . . . A 26 ARG N . 19585 1 255 . 1 1 27 27 LEU H H 1 8.506 0.002 . . . . . A 27 LEU H . 19585 1 256 . 1 1 27 27 LEU HA H 1 4.428 0.011 . . . . . A 27 LEU HA . 19585 1 257 . 1 1 27 27 LEU HB2 H 1 1.735 0.006 . . . . . A 27 LEU HB2 . 19585 1 258 . 1 1 27 27 LEU HB3 H 1 1.242 0.007 . . . . . A 27 LEU HB3 . 19585 1 259 . 1 1 27 27 LEU HG H 1 1.321 0.010 . . . . . A 27 LEU HG . 19585 1 260 . 1 1 27 27 LEU HD11 H 1 0.188 0.007 . . . . . A 27 LEU HD11 . 19585 1 261 . 1 1 27 27 LEU HD12 H 1 0.188 0.007 . . . . . A 27 LEU HD12 . 19585 1 262 . 1 1 27 27 LEU HD13 H 1 0.188 0.007 . . . . . A 27 LEU HD13 . 19585 1 263 . 1 1 27 27 LEU HD21 H 1 0.410 0.007 . . . . . A 27 LEU HD21 . 19585 1 264 . 1 1 27 27 LEU HD22 H 1 0.410 0.007 . . . . . A 27 LEU HD22 . 19585 1 265 . 1 1 27 27 LEU HD23 H 1 0.410 0.007 . . . . . A 27 LEU HD23 . 19585 1 266 . 1 1 27 27 LEU C C 13 176.021 0.019 . . . . . A 27 LEU C . 19585 1 267 . 1 1 27 27 LEU CA C 13 54.345 0.047 . . . . . A 27 LEU CA . 19585 1 268 . 1 1 27 27 LEU CB C 13 40.002 0.088 . . . . . A 27 LEU CB . 19585 1 269 . 1 1 27 27 LEU CG C 13 26.374 0.000 . . . . . A 27 LEU CG . 19585 1 270 . 1 1 27 27 LEU CD1 C 13 23.381 0.072 . . . . . A 27 LEU CD1 . 19585 1 271 . 1 1 27 27 LEU CD2 C 13 24.928 0.072 . . . . . A 27 LEU CD2 . 19585 1 272 . 1 1 27 27 LEU N N 15 123.602 0.008 . . . . . A 27 LEU N . 19585 1 273 . 1 1 28 28 THR H H 1 7.542 0.006 . . . . . A 28 THR H . 19585 1 274 . 1 1 28 28 THR HA H 1 4.688 0.013 . . . . . A 28 THR HA . 19585 1 275 . 1 1 28 28 THR HB H 1 4.773 0.006 . . . . . A 28 THR HB . 19585 1 276 . 1 1 28 28 THR HG21 H 1 1.324 0.015 . . . . . A 28 THR HG21 . 19585 1 277 . 1 1 28 28 THR HG22 H 1 1.324 0.015 . . . . . A 28 THR HG22 . 19585 1 278 . 1 1 28 28 THR HG23 H 1 1.324 0.015 . . . . . A 28 THR HG23 . 19585 1 279 . 1 1 28 28 THR C C 13 173.074 0.010 . . . . . A 28 THR C . 19585 1 280 . 1 1 28 28 THR CA C 13 59.395 0.027 . . . . . A 28 THR CA . 19585 1 281 . 1 1 28 28 THR CB C 13 68.448 0.072 . . . . . A 28 THR CB . 19585 1 282 . 1 1 28 28 THR N N 15 117.302 0.034 . . . . . A 28 THR N . 19585 1 283 . 1 1 29 29 PRO HA H 1 4.123 0.010 . . . . . A 29 PRO HA . 19585 1 284 . 1 1 29 29 PRO HB2 H 1 2.404 0.011 . . . . . A 29 PRO HB2 . 19585 1 285 . 1 1 29 29 PRO HB3 H 1 1.966 0.016 . . . . . A 29 PRO HB3 . 19585 1 286 . 1 1 29 29 PRO HD3 H 1 3.938 0.009 . . . . . A 29 PRO HD3 . 19585 1 287 . 1 1 29 29 PRO C C 13 179.121 0.008 . . . . . A 29 PRO C . 19585 1 288 . 1 1 29 29 PRO CA C 13 65.848 0.041 . . . . . A 29 PRO CA . 19585 1 289 . 1 1 29 29 PRO CB C 13 31.539 0.028 . . . . . A 29 PRO CB . 19585 1 290 . 1 1 29 29 PRO N N 15 135.661 0.000 . . . . . A 29 PRO N . 19585 1 291 . 1 1 30 30 GLU H H 1 9.126 0.005 . . . . . A 30 GLU H . 19585 1 292 . 1 1 30 30 GLU HA H 1 4.140 0.008 . . . . . A 30 GLU HA . 19585 1 293 . 1 1 30 30 GLU HB2 H 1 2.338 0.007 . . . . . A 30 GLU HB2 . 19585 1 294 . 1 1 30 30 GLU HB3 H 1 2.067 0.013 . . . . . A 30 GLU HB3 . 19585 1 295 . 1 1 30 30 GLU HG3 H 1 2.580 0.000 . . . . . A 30 GLU HG3 . 19585 1 296 . 1 1 30 30 GLU CA C 13 60.175 0.002 . . . . . A 30 GLU CA . 19585 1 297 . 1 1 30 30 GLU CB C 13 28.432 0.000 . . . . . A 30 GLU CB . 19585 1 298 . 1 1 30 30 GLU N N 15 116.125 0.028 . . . . . A 30 GLU N . 19585 1 299 . 1 1 31 31 TRP H H 1 7.900 0.008 . . . . . A 31 TRP H . 19585 1 300 . 1 1 31 31 TRP HA H 1 4.654 0.018 . . . . . A 31 TRP HA . 19585 1 301 . 1 1 31 31 TRP HB2 H 1 3.224 0.004 . . . . . A 31 TRP HB2 . 19585 1 302 . 1 1 31 31 TRP HB3 H 1 3.536 0.017 . . . . . A 31 TRP HB3 . 19585 1 303 . 1 1 31 31 TRP C C 13 176.957 0.000 . . . . . A 31 TRP C . 19585 1 304 . 1 1 31 31 TRP CA C 13 56.284 0.000 . . . . . A 31 TRP CA . 19585 1 305 . 1 1 31 31 TRP CB C 13 30.397 0.000 . . . . . A 31 TRP CB . 19585 1 306 . 1 1 31 31 TRP N N 15 124.774 0.049 . . . . . A 31 TRP N . 19585 1 307 . 1 1 32 32 ARG H H 1 8.629 0.005 . . . . . A 32 ARG H . 19585 1 308 . 1 1 32 32 ARG HA H 1 3.503 0.004 . . . . . A 32 ARG HA . 19585 1 309 . 1 1 32 32 ARG HB2 H 1 2.032 0.008 . . . . . A 32 ARG HB2 . 19585 1 310 . 1 1 32 32 ARG HB3 H 1 1.529 0.019 . . . . . A 32 ARG HB3 . 19585 1 311 . 1 1 32 32 ARG HG3 H 1 1.412 0.000 . . . . . A 32 ARG HG3 . 19585 1 312 . 1 1 32 32 ARG HD2 H 1 3.110 0.002 . . . . . A 32 ARG HD2 . 19585 1 313 . 1 1 32 32 ARG HD3 H 1 3.115 0.003 . . . . . A 32 ARG HD3 . 19585 1 314 . 1 1 32 32 ARG HE H 1 7.254 0.011 . . . . . A 32 ARG HE . 19585 1 315 . 1 1 32 32 ARG C C 13 177.825 0.005 . . . . . A 32 ARG C . 19585 1 316 . 1 1 32 32 ARG CA C 13 59.947 0.036 . . . . . A 32 ARG CA . 19585 1 317 . 1 1 32 32 ARG CB C 13 30.754 0.030 . . . . . A 32 ARG CB . 19585 1 318 . 1 1 32 32 ARG CG C 13 27.490 0.000 . . . . . A 32 ARG CG . 19585 1 319 . 1 1 32 32 ARG CD C 13 43.665 0.000 . . . . . A 32 ARG CD . 19585 1 320 . 1 1 32 32 ARG N N 15 118.306 0.020 . . . . . A 32 ARG N . 19585 1 321 . 1 1 33 33 ARG H H 1 8.164 0.009 . . . . . A 33 ARG H . 19585 1 322 . 1 1 33 33 ARG HA H 1 3.942 0.008 . . . . . A 33 ARG HA . 19585 1 323 . 1 1 33 33 ARG HB2 H 1 1.936 0.015 . . . . . A 33 ARG HB2 . 19585 1 324 . 1 1 33 33 ARG HB3 H 1 2.009 0.000 . . . . . A 33 ARG HB3 . 19585 1 325 . 1 1 33 33 ARG HG3 H 1 1.707 0.002 . . . . . A 33 ARG HG3 . 19585 1 326 . 1 1 33 33 ARG HD3 H 1 3.261 0.007 . . . . . A 33 ARG HD3 . 19585 1 327 . 1 1 33 33 ARG HE H 1 7.479 0.000 . . . . . A 33 ARG HE . 19585 1 328 . 1 1 33 33 ARG C C 13 178.329 0.003 . . . . . A 33 ARG C . 19585 1 329 . 1 1 33 33 ARG CA C 13 59.220 0.061 . . . . . A 33 ARG CA . 19585 1 330 . 1 1 33 33 ARG CB C 13 29.737 0.068 . . . . . A 33 ARG CB . 19585 1 331 . 1 1 33 33 ARG CG C 13 26.991 0.000 . . . . . A 33 ARG CG . 19585 1 332 . 1 1 33 33 ARG CD C 13 43.025 0.000 . . . . . A 33 ARG CD . 19585 1 333 . 1 1 33 33 ARG N N 15 118.366 0.054 . . . . . A 33 ARG N . 19585 1 334 . 1 1 34 34 TYR H H 1 7.983 0.005 . . . . . A 34 TYR H . 19585 1 335 . 1 1 34 34 TYR HA H 1 4.087 0.010 . . . . . A 34 TYR HA . 19585 1 336 . 1 1 34 34 TYR HB2 H 1 3.236 0.009 . . . . . A 34 TYR HB2 . 19585 1 337 . 1 1 34 34 TYR HB3 H 1 3.064 0.006 . . . . . A 34 TYR HB3 . 19585 1 338 . 1 1 34 34 TYR HD1 H 1 6.968 0.017 . . . . . A 34 TYR HD1 . 19585 1 339 . 1 1 34 34 TYR HD2 H 1 6.968 0.017 . . . . . A 34 TYR HD2 . 19585 1 340 . 1 1 34 34 TYR C C 13 177.395 0.012 . . . . . A 34 TYR C . 19585 1 341 . 1 1 34 34 TYR CA C 13 61.817 0.028 . . . . . A 34 TYR CA . 19585 1 342 . 1 1 34 34 TYR CB C 13 38.026 0.037 . . . . . A 34 TYR CB . 19585 1 343 . 1 1 34 34 TYR CD1 C 13 133.201 0.057 . . . . . A 34 TYR CD1 . 19585 1 344 . 1 1 34 34 TYR CD2 C 13 133.201 0.057 . . . . . A 34 TYR CD2 . 19585 1 345 . 1 1 34 34 TYR N N 15 120.565 0.012 . . . . . A 34 TYR N . 19585 1 346 . 1 1 35 35 LEU H H 1 8.376 0.002 . . . . . A 35 LEU H . 19585 1 347 . 1 1 35 35 LEU HA H 1 3.430 0.017 . . . . . A 35 LEU HA . 19585 1 348 . 1 1 35 35 LEU HB2 H 1 0.738 0.007 . . . . . A 35 LEU HB2 . 19585 1 349 . 1 1 35 35 LEU HB3 H 1 1.531 0.009 . . . . . A 35 LEU HB3 . 19585 1 350 . 1 1 35 35 LEU HD11 H 1 -0.198 0.017 . . . . . A 35 LEU HD11 . 19585 1 351 . 1 1 35 35 LEU HD12 H 1 -0.198 0.017 . . . . . A 35 LEU HD12 . 19585 1 352 . 1 1 35 35 LEU HD13 H 1 -0.198 0.017 . . . . . A 35 LEU HD13 . 19585 1 353 . 1 1 35 35 LEU HD21 H 1 0.195 0.008 . . . . . A 35 LEU HD21 . 19585 1 354 . 1 1 35 35 LEU HD22 H 1 0.195 0.008 . . . . . A 35 LEU HD22 . 19585 1 355 . 1 1 35 35 LEU HD23 H 1 0.195 0.008 . . . . . A 35 LEU HD23 . 19585 1 356 . 1 1 35 35 LEU C C 13 178.458 0.018 . . . . . A 35 LEU C . 19585 1 357 . 1 1 35 35 LEU CA C 13 57.288 0.042 . . . . . A 35 LEU CA . 19585 1 358 . 1 1 35 35 LEU CB C 13 42.089 0.081 . . . . . A 35 LEU CB . 19585 1 359 . 1 1 35 35 LEU CD1 C 13 24.696 0.000 . . . . . A 35 LEU CD1 . 19585 1 360 . 1 1 35 35 LEU CD2 C 13 22.170 0.045 . . . . . A 35 LEU CD2 . 19585 1 361 . 1 1 35 35 LEU N N 15 118.260 0.064 . . . . . A 35 LEU N . 19585 1 362 . 1 1 36 36 SER H H 1 7.860 0.002 . . . . . A 36 SER H . 19585 1 363 . 1 1 36 36 SER HA H 1 4.069 0.010 . . . . . A 36 SER HA . 19585 1 364 . 1 1 36 36 SER HB2 H 1 3.898 0.013 . . . . . A 36 SER HB2 . 19585 1 365 . 1 1 36 36 SER HB3 H 1 3.927 0.004 . . . . . A 36 SER HB3 . 19585 1 366 . 1 1 36 36 SER HG H 1 4.673 0.000 . . . . . A 36 SER HG . 19585 1 367 . 1 1 36 36 SER C C 13 178.481 0.000 . . . . . A 36 SER C . 19585 1 368 . 1 1 36 36 SER CA C 13 60.901 0.020 . . . . . A 36 SER CA . 19585 1 369 . 1 1 36 36 SER CB C 13 63.222 0.035 . . . . . A 36 SER CB . 19585 1 370 . 1 1 36 36 SER N N 15 113.787 0.011 . . . . . A 36 SER N . 19585 1 371 . 1 1 37 37 GLN H H 1 7.744 0.002 . . . . . A 37 GLN H . 19585 1 372 . 1 1 37 37 GLN HA H 1 4.225 0.020 . . . . . A 37 GLN HA . 19585 1 373 . 1 1 37 37 GLN HB2 H 1 1.998 0.016 . . . . . A 37 GLN HB2 . 19585 1 374 . 1 1 37 37 GLN HB3 H 1 1.864 0.002 . . . . . A 37 GLN HB3 . 19585 1 375 . 1 1 37 37 GLN C C 13 174.789 0.003 . . . . . A 37 GLN C . 19585 1 376 . 1 1 37 37 GLN CA C 13 55.821 0.055 . . . . . A 37 GLN CA . 19585 1 377 . 1 1 37 37 GLN CB C 13 29.728 0.049 . . . . . A 37 GLN CB . 19585 1 378 . 1 1 37 37 GLN CG C 13 34.614 0.000 . . . . . A 37 GLN CG . 19585 1 379 . 1 1 37 37 GLN N N 15 119.515 0.031 . . . . . A 37 GLN N . 19585 1 380 . 1 1 38 38 ARG H H 1 7.795 0.001 . . . . . A 38 ARG H . 19585 1 381 . 1 1 38 38 ARG HA H 1 4.101 0.014 . . . . . A 38 ARG HA . 19585 1 382 . 1 1 38 38 ARG HB2 H 1 1.764 0.007 . . . . . A 38 ARG HB2 . 19585 1 383 . 1 1 38 38 ARG HB3 H 1 1.672 0.007 . . . . . A 38 ARG HB3 . 19585 1 384 . 1 1 38 38 ARG HG3 H 1 1.344 0.021 . . . . . A 38 ARG HG3 . 19585 1 385 . 1 1 38 38 ARG HD3 H 1 3.201 0.000 . . . . . A 38 ARG HD3 . 19585 1 386 . 1 1 38 38 ARG C C 13 180.785 0.000 . . . . . A 38 ARG C . 19585 1 387 . 1 1 38 38 ARG CA C 13 57.062 0.094 . . . . . A 38 ARG CA . 19585 1 388 . 1 1 38 38 ARG CB C 13 29.668 0.074 . . . . . A 38 ARG CB . 19585 1 389 . 1 1 38 38 ARG CG C 13 26.854 0.000 . . . . . A 38 ARG CG . 19585 1 390 . 1 1 38 38 ARG CD C 13 42.908 0.000 . . . . . A 38 ARG CD . 19585 1 391 . 1 1 38 38 ARG N N 15 126.791 0.028 . . . . . A 38 ARG N . 19585 1 392 . 1 1 39 39 LEU H H 1 8.080 0.008 . . . . . A 39 LEU H . 19585 1 393 . 1 1 39 39 LEU HA H 1 4.331 0.005 . . . . . A 39 LEU HA . 19585 1 394 . 1 1 39 39 LEU HB2 H 1 1.632 0.014 . . . . . A 39 LEU HB2 . 19585 1 395 . 1 1 39 39 LEU HB3 H 1 1.307 0.007 . . . . . A 39 LEU HB3 . 19585 1 396 . 1 1 39 39 LEU HG H 1 1.588 0.016 . . . . . A 39 LEU HG . 19585 1 397 . 1 1 39 39 LEU HD11 H 1 0.665 0.013 . . . . . A 39 LEU HD11 . 19585 1 398 . 1 1 39 39 LEU HD12 H 1 0.665 0.013 . . . . . A 39 LEU HD12 . 19585 1 399 . 1 1 39 39 LEU HD13 H 1 0.665 0.013 . . . . . A 39 LEU HD13 . 19585 1 400 . 1 1 39 39 LEU HD21 H 1 0.615 0.013 . . . . . A 39 LEU HD21 . 19585 1 401 . 1 1 39 39 LEU HD22 H 1 0.615 0.013 . . . . . A 39 LEU HD22 . 19585 1 402 . 1 1 39 39 LEU HD23 H 1 0.615 0.013 . . . . . A 39 LEU HD23 . 19585 1 403 . 1 1 39 39 LEU C C 13 177.373 0.003 . . . . . A 39 LEU C . 19585 1 404 . 1 1 39 39 LEU CA C 13 54.274 0.052 . . . . . A 39 LEU CA . 19585 1 405 . 1 1 39 39 LEU CB C 13 42.469 0.037 . . . . . A 39 LEU CB . 19585 1 406 . 1 1 39 39 LEU CG C 13 26.888 0.054 . . . . . A 39 LEU CG . 19585 1 407 . 1 1 39 39 LEU CD1 C 13 22.651 0.013 . . . . . A 39 LEU CD1 . 19585 1 408 . 1 1 39 39 LEU CD2 C 13 25.566 0.000 . . . . . A 39 LEU CD2 . 19585 1 409 . 1 1 39 39 LEU N N 15 113.908 0.065 . . . . . A 39 LEU N . 19585 1 410 . 1 1 40 40 GLY H H 1 7.597 0.003 . . . . . A 40 GLY H . 19585 1 411 . 1 1 40 40 GLY HA2 H 1 3.853 0.009 . . . . . A 40 GLY HA2 . 19585 1 412 . 1 1 40 40 GLY C C 13 174.050 0.006 . . . . . A 40 GLY C . 19585 1 413 . 1 1 40 40 GLY CA C 13 46.540 0.057 . . . . . A 40 GLY CA . 19585 1 414 . 1 1 40 40 GLY N N 15 109.188 0.011 . . . . . A 40 GLY N . 19585 1 415 . 1 1 41 41 LEU H H 1 7.118 0.004 . . . . . A 41 LEU H . 19585 1 416 . 1 1 41 41 LEU HA H 1 4.678 0.008 . . . . . A 41 LEU HA . 19585 1 417 . 1 1 41 41 LEU HB2 H 1 1.369 0.015 . . . . . A 41 LEU HB2 . 19585 1 418 . 1 1 41 41 LEU HB3 H 1 1.138 0.011 . . . . . A 41 LEU HB3 . 19585 1 419 . 1 1 41 41 LEU HG H 1 1.334 0.017 . . . . . A 41 LEU HG . 19585 1 420 . 1 1 41 41 LEU HD11 H 1 0.714 0.007 . . . . . A 41 LEU HD11 . 19585 1 421 . 1 1 41 41 LEU HD12 H 1 0.714 0.007 . . . . . A 41 LEU HD12 . 19585 1 422 . 1 1 41 41 LEU HD13 H 1 0.714 0.007 . . . . . A 41 LEU HD13 . 19585 1 423 . 1 1 41 41 LEU HD21 H 1 0.478 0.013 . . . . . A 41 LEU HD21 . 19585 1 424 . 1 1 41 41 LEU HD22 H 1 0.478 0.013 . . . . . A 41 LEU HD22 . 19585 1 425 . 1 1 41 41 LEU HD23 H 1 0.478 0.013 . . . . . A 41 LEU HD23 . 19585 1 426 . 1 1 41 41 LEU C C 13 175.741 0.010 . . . . . A 41 LEU C . 19585 1 427 . 1 1 41 41 LEU CA C 13 51.977 0.062 . . . . . A 41 LEU CA . 19585 1 428 . 1 1 41 41 LEU CB C 13 46.181 0.074 . . . . . A 41 LEU CB . 19585 1 429 . 1 1 41 41 LEU CG C 13 26.278 0.062 . . . . . A 41 LEU CG . 19585 1 430 . 1 1 41 41 LEU CD1 C 13 23.205 0.023 . . . . . A 41 LEU CD1 . 19585 1 431 . 1 1 41 41 LEU N N 15 118.237 0.018 . . . . . A 41 LEU N . 19585 1 432 . 1 1 42 42 ASN H H 1 8.877 0.004 . . . . . A 42 ASN H . 19585 1 433 . 1 1 42 42 ASN HA H 1 4.712 0.007 . . . . . A 42 ASN HA . 19585 1 434 . 1 1 42 42 ASN HB2 H 1 3.055 0.005 . . . . . A 42 ASN HB2 . 19585 1 435 . 1 1 42 42 ASN HB3 H 1 2.850 0.003 . . . . . A 42 ASN HB3 . 19585 1 436 . 1 1 42 42 ASN HD21 H 1 7.546 0.001 . . . . . A 42 ASN HD21 . 19585 1 437 . 1 1 42 42 ASN HD22 H 1 7.128 0.000 . . . . . A 42 ASN HD22 . 19585 1 438 . 1 1 42 42 ASN C C 13 176.294 0.005 . . . . . A 42 ASN C . 19585 1 439 . 1 1 42 42 ASN CA C 13 52.300 0.056 . . . . . A 42 ASN CA . 19585 1 440 . 1 1 42 42 ASN CB C 13 38.684 0.041 . . . . . A 42 ASN CB . 19585 1 441 . 1 1 42 42 ASN N N 15 119.260 0.014 . . . . . A 42 ASN N . 19585 1 442 . 1 1 43 43 GLU H H 1 8.953 0.005 . . . . . A 43 GLU H . 19585 1 443 . 1 1 43 43 GLU HA H 1 3.656 0.006 . . . . . A 43 GLU HA . 19585 1 444 . 1 1 43 43 GLU HB3 H 1 1.958 0.019 . . . . . A 43 GLU HB3 . 19585 1 445 . 1 1 43 43 GLU HG3 H 1 2.599 0.003 . . . . . A 43 GLU HG3 . 19585 1 446 . 1 1 43 43 GLU C C 13 178.035 0.011 . . . . . A 43 GLU C . 19585 1 447 . 1 1 43 43 GLU CA C 13 61.358 0.043 . . . . . A 43 GLU CA . 19585 1 448 . 1 1 43 43 GLU CB C 13 29.466 0.011 . . . . . A 43 GLU CB . 19585 1 449 . 1 1 43 43 GLU CG C 13 37.940 0.028 . . . . . A 43 GLU CG . 19585 1 450 . 1 1 43 43 GLU N N 15 120.734 0.027 . . . . . A 43 GLU N . 19585 1 451 . 1 1 44 44 GLU H H 1 8.577 0.009 . . . . . A 44 GLU H . 19585 1 452 . 1 1 44 44 GLU HA H 1 4.111 0.008 . . . . . A 44 GLU HA . 19585 1 453 . 1 1 44 44 GLU HB3 H 1 2.084 0.012 . . . . . A 44 GLU HB3 . 19585 1 454 . 1 1 44 44 GLU HG2 H 1 2.343 0.010 . . . . . A 44 GLU HG2 . 19585 1 455 . 1 1 44 44 GLU HG3 H 1 2.490 0.000 . . . . . A 44 GLU HG3 . 19585 1 456 . 1 1 44 44 GLU C C 13 179.071 0.003 . . . . . A 44 GLU C . 19585 1 457 . 1 1 44 44 GLU CA C 13 59.336 0.021 . . . . . A 44 GLU CA . 19585 1 458 . 1 1 44 44 GLU CB C 13 28.181 0.056 . . . . . A 44 GLU CB . 19585 1 459 . 1 1 44 44 GLU CG C 13 35.385 0.000 . . . . . A 44 GLU CG . 19585 1 460 . 1 1 44 44 GLU N N 15 119.055 0.024 . . . . . A 44 GLU N . 19585 1 461 . 1 1 45 45 GLN H H 1 7.941 0.010 . . . . . A 45 GLN H . 19585 1 462 . 1 1 45 45 GLN HA H 1 4.109 0.010 . . . . . A 45 GLN HA . 19585 1 463 . 1 1 45 45 GLN HB2 H 1 2.041 0.012 . . . . . A 45 GLN HB2 . 19585 1 464 . 1 1 45 45 GLN HB3 H 1 2.487 0.010 . . . . . A 45 GLN HB3 . 19585 1 465 . 1 1 45 45 GLN HG2 H 1 2.441 0.004 . . . . . A 45 GLN HG2 . 19585 1 466 . 1 1 45 45 GLN HG3 H 1 2.555 0.019 . . . . . A 45 GLN HG3 . 19585 1 467 . 1 1 45 45 GLN HE21 H 1 7.218 0.000 . . . . . A 45 GLN HE21 . 19585 1 468 . 1 1 45 45 GLN HE22 H 1 6.810 0.010 . . . . . A 45 GLN HE22 . 19585 1 469 . 1 1 45 45 GLN C C 13 178.782 0.015 . . . . . A 45 GLN C . 19585 1 470 . 1 1 45 45 GLN CA C 13 58.887 0.056 . . . . . A 45 GLN CA . 19585 1 471 . 1 1 45 45 GLN CB C 13 29.344 0.094 . . . . . A 45 GLN CB . 19585 1 472 . 1 1 45 45 GLN CG C 13 34.880 0.045 . . . . . A 45 GLN CG . 19585 1 473 . 1 1 45 45 GLN N N 15 118.627 0.013 . . . . . A 45 GLN N . 19585 1 474 . 1 1 46 46 ILE H H 1 7.473 0.006 . . . . . A 46 ILE H . 19585 1 475 . 1 1 46 46 ILE HA H 1 3.640 0.005 . . . . . A 46 ILE HA . 19585 1 476 . 1 1 46 46 ILE HB H 1 1.930 0.004 . . . . . A 46 ILE HB . 19585 1 477 . 1 1 46 46 ILE HG12 H 1 1.458 0.010 . . . . . A 46 ILE HG12 . 19585 1 478 . 1 1 46 46 ILE HG13 H 1 1.039 0.014 . . . . . A 46 ILE HG13 . 19585 1 479 . 1 1 46 46 ILE HG21 H 1 0.653 0.006 . . . . . A 46 ILE HG21 . 19585 1 480 . 1 1 46 46 ILE HG22 H 1 0.653 0.006 . . . . . A 46 ILE HG22 . 19585 1 481 . 1 1 46 46 ILE HG23 H 1 0.653 0.006 . . . . . A 46 ILE HG23 . 19585 1 482 . 1 1 46 46 ILE HD11 H 1 0.539 0.008 . . . . . A 46 ILE HD11 . 19585 1 483 . 1 1 46 46 ILE HD12 H 1 0.539 0.008 . . . . . A 46 ILE HD12 . 19585 1 484 . 1 1 46 46 ILE HD13 H 1 0.539 0.008 . . . . . A 46 ILE HD13 . 19585 1 485 . 1 1 46 46 ILE C C 13 177.392 0.008 . . . . . A 46 ILE C . 19585 1 486 . 1 1 46 46 ILE CA C 13 64.251 0.065 . . . . . A 46 ILE CA . 19585 1 487 . 1 1 46 46 ILE CB C 13 36.949 0.046 . . . . . A 46 ILE CB . 19585 1 488 . 1 1 46 46 ILE CG1 C 13 27.917 0.000 . . . . . A 46 ILE CG1 . 19585 1 489 . 1 1 46 46 ILE CG2 C 13 18.352 0.067 . . . . . A 46 ILE CG2 . 19585 1 490 . 1 1 46 46 ILE CD1 C 13 12.639 0.044 . . . . . A 46 ILE CD1 . 19585 1 491 . 1 1 46 46 ILE N N 15 118.838 0.018 . . . . . A 46 ILE N . 19585 1 492 . 1 1 47 47 GLU H H 1 8.169 0.005 . . . . . A 47 GLU H . 19585 1 493 . 1 1 47 47 GLU HA H 1 3.855 0.007 . . . . . A 47 GLU HA . 19585 1 494 . 1 1 47 47 GLU HB2 H 1 2.148 0.003 . . . . . A 47 GLU HB2 . 19585 1 495 . 1 1 47 47 GLU HB3 H 1 2.157 0.007 . . . . . A 47 GLU HB3 . 19585 1 496 . 1 1 47 47 GLU HG2 H 1 2.310 0.006 . . . . . A 47 GLU HG2 . 19585 1 497 . 1 1 47 47 GLU HG3 H 1 2.313 0.004 . . . . . A 47 GLU HG3 . 19585 1 498 . 1 1 47 47 GLU C C 13 178.674 0.022 . . . . . A 47 GLU C . 19585 1 499 . 1 1 47 47 GLU CA C 13 59.641 0.036 . . . . . A 47 GLU CA . 19585 1 500 . 1 1 47 47 GLU CB C 13 28.924 0.051 . . . . . A 47 GLU CB . 19585 1 501 . 1 1 47 47 GLU CG C 13 34.937 0.000 . . . . . A 47 GLU CG . 19585 1 502 . 1 1 47 47 GLU N N 15 119.007 0.033 . . . . . A 47 GLU N . 19585 1 503 . 1 1 48 48 ARG H H 1 8.299 0.005 . . . . . A 48 ARG H . 19585 1 504 . 1 1 48 48 ARG HA H 1 4.024 0.013 . . . . . A 48 ARG HA . 19585 1 505 . 1 1 48 48 ARG HB2 H 1 2.123 0.000 . . . . . A 48 ARG HB2 . 19585 1 506 . 1 1 48 48 ARG HB3 H 1 2.037 0.017 . . . . . A 48 ARG HB3 . 19585 1 507 . 1 1 48 48 ARG HG2 H 1 1.937 0.000 . . . . . A 48 ARG HG2 . 19585 1 508 . 1 1 48 48 ARG HG3 H 1 1.880 0.005 . . . . . A 48 ARG HG3 . 19585 1 509 . 1 1 48 48 ARG HD2 H 1 3.293 0.013 . . . . . A 48 ARG HD2 . 19585 1 510 . 1 1 48 48 ARG HD3 H 1 3.276 0.008 . . . . . A 48 ARG HD3 . 19585 1 511 . 1 1 48 48 ARG HE H 1 7.474 0.009 . . . . . A 48 ARG HE . 19585 1 512 . 1 1 48 48 ARG C C 13 178.682 0.026 . . . . . A 48 ARG C . 19585 1 513 . 1 1 48 48 ARG CA C 13 59.590 0.033 . . . . . A 48 ARG CA . 19585 1 514 . 1 1 48 48 ARG CB C 13 29.969 0.058 . . . . . A 48 ARG CB . 19585 1 515 . 1 1 48 48 ARG CG C 13 27.396 0.091 . . . . . A 48 ARG CG . 19585 1 516 . 1 1 48 48 ARG CD C 13 43.357 0.048 . . . . . A 48 ARG CD . 19585 1 517 . 1 1 48 48 ARG N N 15 118.349 0.022 . . . . . A 48 ARG N . 19585 1 518 . 1 1 49 49 TRP H H 1 8.265 0.002 . . . . . A 49 TRP H . 19585 1 519 . 1 1 49 49 TRP HA H 1 3.976 0.011 . . . . . A 49 TRP HA . 19585 1 520 . 1 1 49 49 TRP HB2 H 1 3.531 0.015 . . . . . A 49 TRP HB2 . 19585 1 521 . 1 1 49 49 TRP HB3 H 1 3.305 0.007 . . . . . A 49 TRP HB3 . 19585 1 522 . 1 1 49 49 TRP HD1 H 1 6.524 0.005 . . . . . A 49 TRP HD1 . 19585 1 523 . 1 1 49 49 TRP HE1 H 1 9.585 0.010 . . . . . A 49 TRP HE1 . 19585 1 524 . 1 1 49 49 TRP C C 13 178.736 0.023 . . . . . A 49 TRP C . 19585 1 525 . 1 1 49 49 TRP CA C 13 61.963 0.037 . . . . . A 49 TRP CA . 19585 1 526 . 1 1 49 49 TRP CB C 13 29.001 0.053 . . . . . A 49 TRP CB . 19585 1 527 . 1 1 49 49 TRP CD1 C 13 125.910 0.055 . . . . . A 49 TRP CD1 . 19585 1 528 . 1 1 49 49 TRP N N 15 120.853 0.019 . . . . . A 49 TRP N . 19585 1 529 . 1 1 50 50 PHE H H 1 8.919 0.006 . . . . . A 50 PHE H . 19585 1 530 . 1 1 50 50 PHE HA H 1 4.016 0.005 . . . . . A 50 PHE HA . 19585 1 531 . 1 1 50 50 PHE HB2 H 1 3.551 0.015 . . . . . A 50 PHE HB2 . 19585 1 532 . 1 1 50 50 PHE HB3 H 1 3.303 0.008 . . . . . A 50 PHE HB3 . 19585 1 533 . 1 1 50 50 PHE HD1 H 1 7.754 0.002 . . . . . A 50 PHE HD1 . 19585 1 534 . 1 1 50 50 PHE HD2 H 1 7.754 0.002 . . . . . A 50 PHE HD2 . 19585 1 535 . 1 1 50 50 PHE HE1 H 1 7.439 0.004 . . . . . A 50 PHE HE1 . 19585 1 536 . 1 1 50 50 PHE HE2 H 1 7.439 0.004 . . . . . A 50 PHE HE2 . 19585 1 537 . 1 1 50 50 PHE HZ H 1 7.079 0.012 . . . . . A 50 PHE HZ . 19585 1 538 . 1 1 50 50 PHE C C 13 177.941 0.036 . . . . . A 50 PHE C . 19585 1 539 . 1 1 50 50 PHE CA C 13 62.076 0.059 . . . . . A 50 PHE CA . 19585 1 540 . 1 1 50 50 PHE CB C 13 38.790 0.061 . . . . . A 50 PHE CB . 19585 1 541 . 1 1 50 50 PHE CD1 C 13 131.825 0.032 . . . . . A 50 PHE CD1 . 19585 1 542 . 1 1 50 50 PHE CD2 C 13 131.825 0.032 . . . . . A 50 PHE CD2 . 19585 1 543 . 1 1 50 50 PHE N N 15 120.046 0.033 . . . . . A 50 PHE N . 19585 1 544 . 1 1 51 51 ARG H H 1 8.382 0.007 . . . . . A 51 ARG H . 19585 1 545 . 1 1 51 51 ARG HA H 1 4.137 0.014 . . . . . A 51 ARG HA . 19585 1 546 . 1 1 51 51 ARG HB2 H 1 1.897 0.006 . . . . . A 51 ARG HB2 . 19585 1 547 . 1 1 51 51 ARG HB3 H 1 2.002 0.006 . . . . . A 51 ARG HB3 . 19585 1 548 . 1 1 51 51 ARG HG2 H 1 1.731 0.009 . . . . . A 51 ARG HG2 . 19585 1 549 . 1 1 51 51 ARG HG3 H 1 1.731 0.009 . . . . . A 51 ARG HG3 . 19585 1 550 . 1 1 51 51 ARG HD2 H 1 3.250 0.008 . . . . . A 51 ARG HD2 . 19585 1 551 . 1 1 51 51 ARG HD3 H 1 3.234 0.017 . . . . . A 51 ARG HD3 . 19585 1 552 . 1 1 51 51 ARG HE H 1 6.952 0.000 . . . . . A 51 ARG HE . 19585 1 553 . 1 1 51 51 ARG C C 13 179.065 0.011 . . . . . A 51 ARG C . 19585 1 554 . 1 1 51 51 ARG CA C 13 58.977 0.042 . . . . . A 51 ARG CA . 19585 1 555 . 1 1 51 51 ARG CB C 13 29.601 0.062 . . . . . A 51 ARG CB . 19585 1 556 . 1 1 51 51 ARG CG C 13 27.180 0.000 . . . . . A 51 ARG CG . 19585 1 557 . 1 1 51 51 ARG CD C 13 43.217 0.037 . . . . . A 51 ARG CD . 19585 1 558 . 1 1 51 51 ARG N N 15 117.863 0.027 . . . . . A 51 ARG N . 19585 1 559 . 1 1 52 52 ARG H H 1 7.753 0.004 . . . . . A 52 ARG H . 19585 1 560 . 1 1 52 52 ARG HA H 1 3.949 0.006 . . . . . A 52 ARG HA . 19585 1 561 . 1 1 52 52 ARG HB2 H 1 1.661 0.014 . . . . . A 52 ARG HB2 . 19585 1 562 . 1 1 52 52 ARG HB3 H 1 1.633 0.015 . . . . . A 52 ARG HB3 . 19585 1 563 . 1 1 52 52 ARG HG2 H 1 1.448 0.000 . . . . . A 52 ARG HG2 . 19585 1 564 . 1 1 52 52 ARG HG3 H 1 1.395 0.006 . . . . . A 52 ARG HG3 . 19585 1 565 . 1 1 52 52 ARG HD2 H 1 2.988 0.001 . . . . . A 52 ARG HD2 . 19585 1 566 . 1 1 52 52 ARG HD3 H 1 2.991 0.026 . . . . . A 52 ARG HD3 . 19585 1 567 . 1 1 52 52 ARG HE H 1 7.090 0.015 . . . . . A 52 ARG HE . 19585 1 568 . 1 1 52 52 ARG C C 13 178.452 0.022 . . . . . A 52 ARG C . 19585 1 569 . 1 1 52 52 ARG CA C 13 58.404 0.070 . . . . . A 52 ARG CA . 19585 1 570 . 1 1 52 52 ARG CB C 13 29.139 0.059 . . . . . A 52 ARG CB . 19585 1 571 . 1 1 52 52 ARG CG C 13 26.647 0.076 . . . . . A 52 ARG CG . 19585 1 572 . 1 1 52 52 ARG CD C 13 43.001 0.068 . . . . . A 52 ARG CD . 19585 1 573 . 1 1 52 52 ARG N N 15 119.300 0.011 . . . . . A 52 ARG N . 19585 1 574 . 1 1 53 53 LYS H H 1 7.725 0.006 . . . . . A 53 LYS H . 19585 1 575 . 1 1 53 53 LYS HA H 1 3.462 0.009 . . . . . A 53 LYS HA . 19585 1 576 . 1 1 53 53 LYS HB2 H 1 0.795 0.006 . . . . . A 53 LYS HB2 . 19585 1 577 . 1 1 53 53 LYS HB3 H 1 0.357 0.006 . . . . . A 53 LYS HB3 . 19585 1 578 . 1 1 53 53 LYS HG2 H 1 -0.123 0.009 . . . . . A 53 LYS HG2 . 19585 1 579 . 1 1 53 53 LYS HG3 H 1 0.045 0.005 . . . . . A 53 LYS HG3 . 19585 1 580 . 1 1 53 53 LYS HD2 H 1 1.020 0.014 . . . . . A 53 LYS HD2 . 19585 1 581 . 1 1 53 53 LYS HD3 H 1 0.620 0.003 . . . . . A 53 LYS HD3 . 19585 1 582 . 1 1 53 53 LYS HE2 H 1 2.252 0.004 . . . . . A 53 LYS HE2 . 19585 1 583 . 1 1 53 53 LYS HE3 H 1 2.262 0.005 . . . . . A 53 LYS HE3 . 19585 1 584 . 1 1 53 53 LYS C C 13 178.518 0.014 . . . . . A 53 LYS C . 19585 1 585 . 1 1 53 53 LYS CA C 13 57.235 0.042 . . . . . A 53 LYS CA . 19585 1 586 . 1 1 53 53 LYS CB C 13 30.299 0.059 . . . . . A 53 LYS CB . 19585 1 587 . 1 1 53 53 LYS CG C 13 22.317 0.073 . . . . . A 53 LYS CG . 19585 1 588 . 1 1 53 53 LYS N N 15 121.061 0.016 . . . . . A 53 LYS N . 19585 1 589 . 1 1 54 54 GLU H H 1 8.017 0.004 . . . . . A 54 GLU H . 19585 1 590 . 1 1 54 54 GLU HA H 1 4.013 0.014 . . . . . A 54 GLU HA . 19585 1 591 . 1 1 54 54 GLU HB2 H 1 2.149 0.006 . . . . . A 54 GLU HB2 . 19585 1 592 . 1 1 54 54 GLU HB3 H 1 2.300 0.005 . . . . . A 54 GLU HB3 . 19585 1 593 . 1 1 54 54 GLU HG2 H 1 2.632 0.007 . . . . . A 54 GLU HG2 . 19585 1 594 . 1 1 54 54 GLU HG3 H 1 2.564 0.007 . . . . . A 54 GLU HG3 . 19585 1 595 . 1 1 54 54 GLU C C 13 178.377 0.008 . . . . . A 54 GLU C . 19585 1 596 . 1 1 54 54 GLU CA C 13 58.478 0.048 . . . . . A 54 GLU CA . 19585 1 597 . 1 1 54 54 GLU CB C 13 28.780 0.065 . . . . . A 54 GLU CB . 19585 1 598 . 1 1 54 54 GLU CG C 13 34.973 0.065 . . . . . A 54 GLU CG . 19585 1 599 . 1 1 54 54 GLU N N 15 117.038 0.018 . . . . . A 54 GLU N . 19585 1 600 . 1 1 55 55 GLN H H 1 7.567 0.008 . . . . . A 55 GLN H . 19585 1 601 . 1 1 55 55 GLN HA H 1 4.066 0.010 . . . . . A 55 GLN HA . 19585 1 602 . 1 1 55 55 GLN HB2 H 1 2.098 0.007 . . . . . A 55 GLN HB2 . 19585 1 603 . 1 1 55 55 GLN HB3 H 1 2.092 0.007 . . . . . A 55 GLN HB3 . 19585 1 604 . 1 1 55 55 GLN HG2 H 1 2.484 0.004 . . . . . A 55 GLN HG2 . 19585 1 605 . 1 1 55 55 GLN HG3 H 1 2.307 0.011 . . . . . A 55 GLN HG3 . 19585 1 606 . 1 1 55 55 GLN C C 13 177.422 0.007 . . . . . A 55 GLN C . 19585 1 607 . 1 1 55 55 GLN CA C 13 57.349 0.031 . . . . . A 55 GLN CA . 19585 1 608 . 1 1 55 55 GLN CB C 13 28.325 0.048 . . . . . A 55 GLN CB . 19585 1 609 . 1 1 55 55 GLN CG C 13 33.732 0.000 . . . . . A 55 GLN CG . 19585 1 610 . 1 1 55 55 GLN N N 15 117.416 0.012 . . . . . A 55 GLN N . 19585 1 611 . 1 1 56 56 GLN H H 1 7.767 0.003 . . . . . A 56 GLN H . 19585 1 612 . 1 1 56 56 GLN HA H 1 3.988 0.007 . . . . . A 56 GLN HA . 19585 1 613 . 1 1 56 56 GLN HB2 H 1 2.000 0.005 . . . . . A 56 GLN HB2 . 19585 1 614 . 1 1 56 56 GLN HB3 H 1 1.990 0.000 . . . . . A 56 GLN HB3 . 19585 1 615 . 1 1 56 56 GLN HG2 H 1 2.365 0.002 . . . . . A 56 GLN HG2 . 19585 1 616 . 1 1 56 56 GLN HG3 H 1 2.339 0.019 . . . . . A 56 GLN HG3 . 19585 1 617 . 1 1 56 56 GLN C C 13 177.429 0.011 . . . . . A 56 GLN C . 19585 1 618 . 1 1 56 56 GLN CA C 13 57.106 0.035 . . . . . A 56 GLN CA . 19585 1 619 . 1 1 56 56 GLN CB C 13 28.433 0.029 . . . . . A 56 GLN CB . 19585 1 620 . 1 1 56 56 GLN CG C 13 33.438 0.000 . . . . . A 56 GLN CG . 19585 1 621 . 1 1 56 56 GLN N N 15 118.686 0.013 . . . . . A 56 GLN N . 19585 1 622 . 1 1 57 57 ILE H H 1 7.794 0.002 . . . . . A 57 ILE H . 19585 1 623 . 1 1 57 57 ILE HA H 1 4.095 0.013 . . . . . A 57 ILE HA . 19585 1 624 . 1 1 57 57 ILE HB H 1 1.925 0.007 . . . . . A 57 ILE HB . 19585 1 625 . 1 1 57 57 ILE HG12 H 1 1.452 0.003 . . . . . A 57 ILE HG12 . 19585 1 626 . 1 1 57 57 ILE HG13 H 1 1.260 0.005 . . . . . A 57 ILE HG13 . 19585 1 627 . 1 1 57 57 ILE HG21 H 1 0.849 0.006 . . . . . A 57 ILE HG21 . 19585 1 628 . 1 1 57 57 ILE HG22 H 1 0.849 0.006 . . . . . A 57 ILE HG22 . 19585 1 629 . 1 1 57 57 ILE HG23 H 1 0.849 0.006 . . . . . A 57 ILE HG23 . 19585 1 630 . 1 1 57 57 ILE HD11 H 1 0.918 0.000 . . . . . A 57 ILE HD11 . 19585 1 631 . 1 1 57 57 ILE HD12 H 1 0.918 0.000 . . . . . A 57 ILE HD12 . 19585 1 632 . 1 1 57 57 ILE HD13 H 1 0.918 0.000 . . . . . A 57 ILE HD13 . 19585 1 633 . 1 1 57 57 ILE C C 13 177.112 0.024 . . . . . A 57 ILE C . 19585 1 634 . 1 1 57 57 ILE CA C 13 61.911 0.047 . . . . . A 57 ILE CA . 19585 1 635 . 1 1 57 57 ILE CB C 13 38.074 0.070 . . . . . A 57 ILE CB . 19585 1 636 . 1 1 57 57 ILE CG1 C 13 27.127 0.000 . . . . . A 57 ILE CG1 . 19585 1 637 . 1 1 57 57 ILE CG2 C 13 17.000 0.000 . . . . . A 57 ILE CG2 . 19585 1 638 . 1 1 57 57 ILE CD1 C 13 13.213 0.000 . . . . . A 57 ILE CD1 . 19585 1 639 . 1 1 57 57 ILE N N 15 117.370 0.040 . . . . . A 57 ILE N . 19585 1 640 . 1 1 58 58 GLY H H 1 7.969 0.005 . . . . . A 58 GLY H . 19585 1 641 . 1 1 58 58 GLY HA2 H 1 3.927 0.008 . . . . . A 58 GLY HA2 . 19585 1 642 . 1 1 58 58 GLY C C 13 174.218 0.005 . . . . . A 58 GLY C . 19585 1 643 . 1 1 58 58 GLY CA C 13 45.456 0.033 . . . . . A 58 GLY CA . 19585 1 644 . 1 1 58 58 GLY N N 15 110.313 0.009 . . . . . A 58 GLY N . 19585 1 645 . 1 1 59 59 TRP H H 1 7.906 0.006 . . . . . A 59 TRP H . 19585 1 646 . 1 1 59 59 TRP HA H 1 4.697 0.006 . . . . . A 59 TRP HA . 19585 1 647 . 1 1 59 59 TRP HB2 H 1 3.291 0.014 . . . . . A 59 TRP HB2 . 19585 1 648 . 1 1 59 59 TRP HB3 H 1 3.205 0.005 . . . . . A 59 TRP HB3 . 19585 1 649 . 1 1 59 59 TRP HD1 H 1 7.201 0.003 . . . . . A 59 TRP HD1 . 19585 1 650 . 1 1 59 59 TRP HE1 H 1 10.055 0.000 . . . . . A 59 TRP HE1 . 19585 1 651 . 1 1 59 59 TRP C C 13 176.145 0.003 . . . . . A 59 TRP C . 19585 1 652 . 1 1 59 59 TRP CA C 13 56.824 0.035 . . . . . A 59 TRP CA . 19585 1 653 . 1 1 59 59 TRP CB C 13 29.329 0.061 . . . . . A 59 TRP CB . 19585 1 654 . 1 1 59 59 TRP CD1 C 13 127.018 0.059 . . . . . A 59 TRP CD1 . 19585 1 655 . 1 1 59 59 TRP N N 15 120.682 0.007 . . . . . A 59 TRP N . 19585 1 656 . 1 1 60 60 SER H H 1 7.942 0.004 . . . . . A 60 SER H . 19585 1 657 . 1 1 60 60 SER HA H 1 4.319 0.007 . . . . . A 60 SER HA . 19585 1 658 . 1 1 60 60 SER HB2 H 1 3.698 0.008 . . . . . A 60 SER HB2 . 19585 1 659 . 1 1 60 60 SER HB3 H 1 3.668 0.010 . . . . . A 60 SER HB3 . 19585 1 660 . 1 1 60 60 SER HG H 1 4.663 0.020 . . . . . A 60 SER HG . 19585 1 661 . 1 1 60 60 SER C C 13 173.518 0.010 . . . . . A 60 SER C . 19585 1 662 . 1 1 60 60 SER CA C 13 57.965 0.041 . . . . . A 60 SER CA . 19585 1 663 . 1 1 60 60 SER CB C 13 63.521 0.056 . . . . . A 60 SER CB . 19585 1 664 . 1 1 60 60 SER N N 15 116.397 0.008 . . . . . A 60 SER N . 19585 1 665 . 1 1 61 61 HIS H H 1 8.113 0.003 . . . . . A 61 HIS H . 19585 1 666 . 1 1 61 61 HIS HA H 1 4.847 0.015 . . . . . A 61 HIS HA . 19585 1 667 . 1 1 61 61 HIS HB2 H 1 3.148 0.007 . . . . . A 61 HIS HB2 . 19585 1 668 . 1 1 61 61 HIS HB3 H 1 3.044 0.005 . . . . . A 61 HIS HB3 . 19585 1 669 . 1 1 61 61 HIS HD1 H 1 7.201 0.004 . . . . . A 61 HIS HD1 . 19585 1 670 . 1 1 61 61 HIS CA C 13 53.092 0.015 . . . . . A 61 HIS CA . 19585 1 671 . 1 1 61 61 HIS CB C 13 28.289 0.056 . . . . . A 61 HIS CB . 19585 1 672 . 1 1 61 61 HIS CD2 C 13 121.486 0.000 . . . . . A 61 HIS CD2 . 19585 1 673 . 1 1 61 61 HIS N N 15 119.966 0.008 . . . . . A 61 HIS N . 19585 1 674 . 1 1 62 62 PRO HA H 1 4.329 0.006 . . . . . A 62 PRO HA . 19585 1 675 . 1 1 62 62 PRO HB2 H 1 2.179 0.005 . . . . . A 62 PRO HB2 . 19585 1 676 . 1 1 62 62 PRO HB3 H 1 1.715 0.004 . . . . . A 62 PRO HB3 . 19585 1 677 . 1 1 62 62 PRO HG2 H 1 1.923 0.006 . . . . . A 62 PRO HG2 . 19585 1 678 . 1 1 62 62 PRO HG3 H 1 1.929 0.000 . . . . . A 62 PRO HG3 . 19585 1 679 . 1 1 62 62 PRO HD2 H 1 3.498 0.006 . . . . . A 62 PRO HD2 . 19585 1 680 . 1 1 62 62 PRO HD3 H 1 3.668 0.005 . . . . . A 62 PRO HD3 . 19585 1 681 . 1 1 62 62 PRO C C 13 176.637 0.009 . . . . . A 62 PRO C . 19585 1 682 . 1 1 62 62 PRO CA C 13 62.974 0.060 . . . . . A 62 PRO CA . 19585 1 683 . 1 1 62 62 PRO CB C 13 31.745 0.055 . . . . . A 62 PRO CB . 19585 1 684 . 1 1 62 62 PRO CG C 13 27.189 0.000 . . . . . A 62 PRO CG . 19585 1 685 . 1 1 62 62 PRO CD C 13 50.306 0.030 . . . . . A 62 PRO CD . 19585 1 686 . 1 1 62 62 PRO N N 15 137.018 0.000 . . . . . A 62 PRO N . 19585 1 687 . 1 1 63 63 GLN H H 1 8.396 0.002 . . . . . A 63 GLN H . 19585 1 688 . 1 1 63 63 GLN HA H 1 4.210 0.005 . . . . . A 63 GLN HA . 19585 1 689 . 1 1 63 63 GLN HB2 H 1 1.869 0.012 . . . . . A 63 GLN HB2 . 19585 1 690 . 1 1 63 63 GLN HB3 H 1 1.918 0.009 . . . . . A 63 GLN HB3 . 19585 1 691 . 1 1 63 63 GLN HG2 H 1 2.181 0.004 . . . . . A 63 GLN HG2 . 19585 1 692 . 1 1 63 63 GLN HG3 H 1 2.221 0.000 . . . . . A 63 GLN HG3 . 19585 1 693 . 1 1 63 63 GLN HE21 H 1 7.391 0.000 . . . . . A 63 GLN HE21 . 19585 1 694 . 1 1 63 63 GLN HE22 H 1 7.391 0.000 . . . . . A 63 GLN HE22 . 19585 1 695 . 1 1 63 63 GLN C C 13 175.415 0.044 . . . . . A 63 GLN C . 19585 1 696 . 1 1 63 63 GLN CA C 13 55.754 0.036 . . . . . A 63 GLN CA . 19585 1 697 . 1 1 63 63 GLN CB C 13 29.063 0.031 . . . . . A 63 GLN CB . 19585 1 698 . 1 1 63 63 GLN CG C 13 33.328 0.000 . . . . . A 63 GLN CG . 19585 1 699 . 1 1 63 63 GLN N N 15 120.593 0.005 . . . . . A 63 GLN N . 19585 1 700 . 1 1 64 64 PHE H H 1 8.060 0.004 . . . . . A 64 PHE H . 19585 1 701 . 1 1 64 64 PHE HA H 1 4.655 0.009 . . . . . A 64 PHE HA . 19585 1 702 . 1 1 64 64 PHE HB2 H 1 2.984 0.004 . . . . . A 64 PHE HB2 . 19585 1 703 . 1 1 64 64 PHE HB3 H 1 3.153 0.009 . . . . . A 64 PHE HB3 . 19585 1 704 . 1 1 64 64 PHE HD1 H 1 7.216 0.004 . . . . . A 64 PHE HD1 . 19585 1 705 . 1 1 64 64 PHE HD2 H 1 7.216 0.004 . . . . . A 64 PHE HD2 . 19585 1 706 . 1 1 64 64 PHE C C 13 175.287 0.008 . . . . . A 64 PHE C . 19585 1 707 . 1 1 64 64 PHE CA C 13 57.044 0.038 . . . . . A 64 PHE CA . 19585 1 708 . 1 1 64 64 PHE CB C 13 39.216 0.039 . . . . . A 64 PHE CB . 19585 1 709 . 1 1 64 64 PHE N N 15 120.113 0.008 . . . . . A 64 PHE N . 19585 1 710 . 1 1 65 65 GLU H H 1 8.184 0.003 . . . . . A 65 GLU H . 19585 1 711 . 1 1 65 65 GLU HA H 1 4.293 0.005 . . . . . A 65 GLU HA . 19585 1 712 . 1 1 65 65 GLU HB2 H 1 1.875 0.014 . . . . . A 65 GLU HB2 . 19585 1 713 . 1 1 65 65 GLU HB3 H 1 2.043 0.007 . . . . . A 65 GLU HB3 . 19585 1 714 . 1 1 65 65 GLU HG2 H 1 2.259 0.011 . . . . . A 65 GLU HG2 . 19585 1 715 . 1 1 65 65 GLU HG3 H 1 2.264 0.000 . . . . . A 65 GLU HG3 . 19585 1 716 . 1 1 65 65 GLU C C 13 174.854 0.004 . . . . . A 65 GLU C . 19585 1 717 . 1 1 65 65 GLU CA C 13 55.907 0.015 . . . . . A 65 GLU CA . 19585 1 718 . 1 1 65 65 GLU CB C 13 29.748 0.015 . . . . . A 65 GLU CB . 19585 1 719 . 1 1 65 65 GLU CG C 13 34.690 0.000 . . . . . A 65 GLU CG . 19585 1 720 . 1 1 65 65 GLU N N 15 122.245 0.015 . . . . . A 65 GLU N . 19585 1 721 . 1 1 66 66 LYS H H 1 7.834 0.002 . . . . . A 66 LYS H . 19585 1 722 . 1 1 66 66 LYS HA H 1 4.113 0.005 . . . . . A 66 LYS HA . 19585 1 723 . 1 1 66 66 LYS HB2 H 1 1.796 0.005 . . . . . A 66 LYS HB2 . 19585 1 724 . 1 1 66 66 LYS HB3 H 1 1.690 0.004 . . . . . A 66 LYS HB3 . 19585 1 725 . 1 1 66 66 LYS HG2 H 1 1.367 0.007 . . . . . A 66 LYS HG2 . 19585 1 726 . 1 1 66 66 LYS HG3 H 1 1.364 0.007 . . . . . A 66 LYS HG3 . 19585 1 727 . 1 1 66 66 LYS HD2 H 1 1.450 0.000 . . . . . A 66 LYS HD2 . 19585 1 728 . 1 1 66 66 LYS HD3 H 1 1.451 0.000 . . . . . A 66 LYS HD3 . 19585 1 729 . 1 1 66 66 LYS HE2 H 1 2.979 0.001 . . . . . A 66 LYS HE2 . 19585 1 730 . 1 1 66 66 LYS HE3 H 1 2.977 0.002 . . . . . A 66 LYS HE3 . 19585 1 731 . 1 1 66 66 LYS HZ1 H 1 7.271 0.000 . . . . . A 66 LYS HZ1 . 19585 1 732 . 1 1 66 66 LYS HZ2 H 1 7.271 0.000 . . . . . A 66 LYS HZ2 . 19585 1 733 . 1 1 66 66 LYS HZ3 H 1 7.271 0.000 . . . . . A 66 LYS HZ3 . 19585 1 734 . 1 1 66 66 LYS C C 13 180.811 0.002 . . . . . A 66 LYS C . 19585 1 735 . 1 1 66 66 LYS CA C 13 57.297 0.009 . . . . . A 66 LYS CA . 19585 1 736 . 1 1 66 66 LYS CB C 13 33.347 0.063 . . . . . A 66 LYS CB . 19585 1 737 . 1 1 66 66 LYS N N 15 126.897 0.036 . . . . . A 66 LYS N . 19585 1 stop_ save_