data_15513 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15513 _Entry.Title ; 1H, 13C and 15N Resonance Assignemnt of HIV-1 VpU cytoplasmic domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-10-09 _Entry.Accession_date 2007-10-09 _Entry.Last_release_date 2008-07-29 _Entry.Original_release_date 2008-07-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.109 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'HIV-1 (strain HV1S1) VpU(39-81)' _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 Marc Wittlich . . . 15513 2 Bernd Koenig . W. . 15513 3 Dieter Willbold . . . 15513 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15513 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 185 15513 '15N chemical shifts' 50 15513 '1H chemical shifts' 297 15513 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 . . 2008-07-29 2007-10-09 original author . 15513 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15513 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18186541 _Citation.Full_citation . _Citation.Title 'Structural consequences of phosphorylation of two serine residues in the cytoplasmic domain of HIV-1 VpU' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Pept. Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 7 _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 804 _Citation.Page_last 810 _Citation.Year 2008 _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 Marc Wittlich . . . 15513 1 2 Bernd Koenig . W. . 15513 1 3 Dieter Willbold . . . 15513 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CD 15513 1 CD4 15513 1 HIV-1 15513 1 NMR 15513 1 VpU 15513 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15513 _Assembly.ID 1 _Assembly.Name 'VpU polypeptide' _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 5009.3 _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 'VpU polypeptide' 1 $VpUcyt A . yes native no no . . . 15513 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_VpUcyt _Entity.Sf_category entity _Entity.Sf_framecode VpUcyt _Entity.Entry_ID 15513 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name VpUcyt _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 ; GSIDRLIDRITERAEDSGNE SEGDQEELSALVERGHLAPW DVDDL ; _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 45 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'VpU cytoplasmic domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5009.3 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1VPU . "Nmr Solution Structure Of The Hiv-1 Vpu Cytoplasmic Domain, 9 Structures" . . . . . 97.78 45 97.73 97.73 7.99e-20 . . . . 15513 1 2 no PDB 2K7Y . "Solution Fold Of Hiv-1 Virus Protein U Cytoplasmic Domain In The Presence Of Dpc Micelles" . . . . . 100.00 45 100.00 100.00 3.02e-21 . . . . 15513 1 3 no PDB 4P6Z . "Crystal Structure Of The Human Bst2 Cytoplasmic Domain And The Hiv-1 Vpu Cytoplasmic Domain Bound To The Clathrin Adaptor Prote" . . . . . 97.78 63 97.73 97.73 5.46e-20 . . . . 15513 1 4 no GB AAA45071 . "vpu [Human immunodeficiency virus 1]" . . . . . 97.78 81 97.73 97.73 6.92e-20 . . . . 15513 1 5 no GB AEL00701 . "vpu protein [Simian-Human immunodeficiency virus]" . . . . . 97.78 81 97.73 97.73 6.92e-20 . . . . 15513 1 6 no GB AEL00706 . "vpu protein [Simian-Human immunodeficiency virus]" . . . . . 97.78 81 97.73 97.73 6.92e-20 . . . . 15513 1 7 no GB AEL00711 . "vpu protein [Simian-Human immunodeficiency virus]" . . . . . 97.78 81 97.73 97.73 6.92e-20 . . . . 15513 1 8 no GB AEL00716 . "vpu protein [Simian-Human immunodeficiency virus]" . . . . . 97.78 81 97.73 97.73 6.92e-20 . . . . 15513 1 9 no SP P19554 . "RecName: Full=Protein Vpu; AltName: Full=U ORF protein; AltName: Full=Viral protein U" . . . . . 97.78 81 97.73 97.73 6.92e-20 . . . . 15513 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'CD4 downregulation' 15513 1 'ion channel activity' 15513 1 'virion budding' 15513 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 37 GLY . 15513 1 2 38 SER . 15513 1 3 39 ILE . 15513 1 4 40 ASP . 15513 1 5 41 ARG . 15513 1 6 42 LEU . 15513 1 7 43 ILE . 15513 1 8 44 ASP . 15513 1 9 45 ARG . 15513 1 10 46 ILE . 15513 1 11 47 THR . 15513 1 12 48 GLU . 15513 1 13 49 ARG . 15513 1 14 50 ALA . 15513 1 15 51 GLU . 15513 1 16 52 ASP . 15513 1 17 53 SER . 15513 1 18 54 GLY . 15513 1 19 55 ASN . 15513 1 20 56 GLU . 15513 1 21 57 SER . 15513 1 22 58 GLU . 15513 1 23 59 GLY . 15513 1 24 60 ASP . 15513 1 25 61 GLN . 15513 1 26 62 GLU . 15513 1 27 63 GLU . 15513 1 28 64 LEU . 15513 1 29 65 SER . 15513 1 30 66 ALA . 15513 1 31 67 LEU . 15513 1 32 68 VAL . 15513 1 33 69 GLU . 15513 1 34 70 ARG . 15513 1 35 71 GLY . 15513 1 36 72 HIS . 15513 1 37 73 LEU . 15513 1 38 74 ALA . 15513 1 39 75 PRO . 15513 1 40 76 TRP . 15513 1 41 77 ASP . 15513 1 42 78 VAL . 15513 1 43 79 ASP . 15513 1 44 80 ASP . 15513 1 45 81 LEU . 15513 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 . GLY 1 1 15513 1 . SER 2 2 15513 1 . ILE 3 3 15513 1 . ASP 4 4 15513 1 . ARG 5 5 15513 1 . LEU 6 6 15513 1 . ILE 7 7 15513 1 . ASP 8 8 15513 1 . ARG 9 9 15513 1 . ILE 10 10 15513 1 . THR 11 11 15513 1 . GLU 12 12 15513 1 . ARG 13 13 15513 1 . ALA 14 14 15513 1 . GLU 15 15 15513 1 . ASP 16 16 15513 1 . SER 17 17 15513 1 . GLY 18 18 15513 1 . ASN 19 19 15513 1 . GLU 20 20 15513 1 . SER 21 21 15513 1 . GLU 22 22 15513 1 . GLY 23 23 15513 1 . ASP 24 24 15513 1 . GLN 25 25 15513 1 . GLU 26 26 15513 1 . GLU 27 27 15513 1 . LEU 28 28 15513 1 . SER 29 29 15513 1 . ALA 30 30 15513 1 . LEU 31 31 15513 1 . VAL 32 32 15513 1 . GLU 33 33 15513 1 . ARG 34 34 15513 1 . GLY 35 35 15513 1 . HIS 36 36 15513 1 . LEU 37 37 15513 1 . ALA 38 38 15513 1 . PRO 39 39 15513 1 . TRP 40 40 15513 1 . ASP 41 41 15513 1 . VAL 42 42 15513 1 . ASP 43 43 15513 1 . ASP 44 44 15513 1 . LEU 45 45 15513 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 15513 _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 $VpUcyt . 11676 virus . HIV HIV . . Viruses . Lentivirus HIV HV1S1 . . . . . . . . . . . . . . . . . . . . 15513 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 15513 _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 $VpUcyt . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pGEX-2T . . . . . . 15513 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15513 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 VpUcyt '[U-100% 13C; U-100% 15N]' . . 1 $VpUcyt . . 1 . . mM . . . . 15513 1 2 DPC '[U-100% 2H]' . . . . . . 100 . . mM . . . . 15513 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15513 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15513 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 15513 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 15513 _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' 100 . mM 15513 1 pH 6.2 . pH 15513 1 pressure 1 . atm 15513 1 temperature 303 . K 15513 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 15513 _Software.ID 1 _Software.Name CARA _Software.Version 1.8.4a.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15513 1 'Keller and Wuthrich' . . 15513 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15513 1 'data analysis' 15513 1 processing 15513 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 15513 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15513 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15513 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 15513 1 2 spectrometer_2 Varian INOVA . 600 . . . 15513 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 15513 _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 . . . . . . . . . . . . . . . . . . . . . 15513 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15513 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15513 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15513 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15513 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15513 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15513 1 8 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15513 1 9 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15513 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15513 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 15513 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15513 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15513 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15513 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 15513 _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' . . . 15513 1 2 '2D 1H-13C HSQC' . . . 15513 1 3 '3D C(CO)NH' . . . 15513 1 4 '3D HNCACB' . . . 15513 1 5 '3D HN(CO)CA' . . . 15513 1 6 '3D 1H-15N NOESY' . . . 15513 1 7 '3D 1H-13C NOESY' . . . 15513 1 8 '3D HNHA' . . . 15513 1 9 '3D HCCH-COSY' . . . 15513 1 10 '3D HCCH-TOCSY' . . . 15513 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 GLY HA2 H 1 4.18 0.02 . 2 . . . . 37 GLY HA2 . 15513 1 2 . 1 1 1 1 GLY HA3 H 1 4.06 0.02 . 2 . . . . 37 GLY HA3 . 15513 1 3 . 1 1 1 1 GLY C C 13 173.6 0.3 . 1 . . . . 37 GLY C . 15513 1 4 . 1 1 1 1 GLY CA C 13 45.3 0.3 . 1 . . . . 37 GLY CA . 15513 1 5 . 1 1 2 2 SER H H 1 9.29 0.02 . 1 . . . . 38 SER H . 15513 1 6 . 1 1 2 2 SER HA H 1 4.34 0.02 . 1 . . . . 38 SER HA . 15513 1 7 . 1 1 2 2 SER HB2 H 1 3.95 0.02 . 1 . . . . 38 SER HB2 . 15513 1 8 . 1 1 2 2 SER HB3 H 1 3.95 0.02 . 1 . . . . 38 SER HB3 . 15513 1 9 . 1 1 2 2 SER C C 13 178.0 0.3 . 1 . . . . 38 SER C . 15513 1 10 . 1 1 2 2 SER CA C 13 63.9 0.3 . 1 . . . . 38 SER CA . 15513 1 11 . 1 1 2 2 SER CB C 13 65.2 0.3 . 1 . . . . 38 SER CB . 15513 1 12 . 1 1 2 2 SER N N 15 118.4 0.3 . 1 . . . . 38 SER N . 15513 1 13 . 1 1 3 3 ILE H H 1 8.91 0.02 . 1 . . . . 39 ILE H . 15513 1 14 . 1 1 3 3 ILE HA H 1 4.00 0.02 . 1 . . . . 39 ILE HA . 15513 1 15 . 1 1 3 3 ILE HB H 1 2.10 0.02 . 1 . . . . 39 ILE HB . 15513 1 16 . 1 1 3 3 ILE HD11 H 1 0.97 0.02 . 1 . . . . 39 ILE HD1 . 15513 1 17 . 1 1 3 3 ILE HD12 H 1 0.97 0.02 . 1 . . . . 39 ILE HD1 . 15513 1 18 . 1 1 3 3 ILE HD13 H 1 0.97 0.02 . 1 . . . . 39 ILE HD1 . 15513 1 19 . 1 1 3 3 ILE HG12 H 1 1.70 0.02 . 2 . . . . 39 ILE HG12 . 15513 1 20 . 1 1 3 3 ILE HG13 H 1 1.36 0.02 . 2 . . . . 39 ILE HG13 . 15513 1 21 . 1 1 3 3 ILE HG21 H 1 1.01 0.02 . 1 . . . . 39 ILE HG2 . 15513 1 22 . 1 1 3 3 ILE HG22 H 1 1.01 0.02 . 1 . . . . 39 ILE HG2 . 15513 1 23 . 1 1 3 3 ILE HG23 H 1 1.01 0.02 . 1 . . . . 39 ILE HG2 . 15513 1 24 . 1 1 3 3 ILE C C 13 178.9 0.3 . 1 . . . . 39 ILE C . 15513 1 25 . 1 1 3 3 ILE CA C 13 65.5 0.3 . 1 . . . . 39 ILE CA . 15513 1 26 . 1 1 3 3 ILE CB C 13 39.0 0.3 . 1 . . . . 39 ILE CB . 15513 1 27 . 1 1 3 3 ILE CD1 C 13 14.8 0.3 . 1 . . . . 39 ILE CD1 . 15513 1 28 . 1 1 3 3 ILE CG1 C 13 30.9 0.3 . 1 . . . . 39 ILE CG1 . 15513 1 29 . 1 1 3 3 ILE CG2 C 13 19.8 0.3 . 1 . . . . 39 ILE CG2 . 15513 1 30 . 1 1 3 3 ILE N N 15 120.3 0.3 . 1 . . . . 39 ILE N . 15513 1 31 . 1 1 4 4 ASP H H 1 7.91 0.02 . 1 . . . . 40 ASP H . 15513 1 32 . 1 1 4 4 ASP HA H 1 4.34 0.02 . 1 . . . . 40 ASP HA . 15513 1 33 . 1 1 4 4 ASP HB2 H 1 2.79 0.02 . 2 . . . . 40 ASP HB2 . 15513 1 34 . 1 1 4 4 ASP HB3 H 1 2.79 0.02 . 2 . . . . 40 ASP HB3 . 15513 1 35 . 1 1 4 4 ASP C C 13 179.9 0.3 . 1 . . . . 40 ASP C . 15513 1 36 . 1 1 4 4 ASP CA C 13 59.1 0.3 . 1 . . . . 40 ASP CA . 15513 1 37 . 1 1 4 4 ASP CB C 13 42.3 0.3 . 1 . . . . 40 ASP CB . 15513 1 38 . 1 1 4 4 ASP N N 15 119.5 0.3 . 1 . . . . 40 ASP N . 15513 1 39 . 1 1 5 5 ARG H H 1 7.88 0.02 . 1 . . . . 41 ARG H . 15513 1 40 . 1 1 5 5 ARG HA H 1 4.28 0.02 . 1 . . . . 41 ARG HA . 15513 1 41 . 1 1 5 5 ARG HB2 H 1 2.05 0.02 . 2 . . . . 41 ARG HB2 . 15513 1 42 . 1 1 5 5 ARG HB3 H 1 2.00 0.02 . 2 . . . . 41 ARG HB3 . 15513 1 43 . 1 1 5 5 ARG HD2 H 1 3.34 0.02 . 1 . . . . 41 ARG HD2 . 15513 1 44 . 1 1 5 5 ARG HD3 H 1 3.34 0.02 . 1 . . . . 41 ARG HD3 . 15513 1 45 . 1 1 5 5 ARG HE H 1 7.45 0.02 . 1 . . . . 41 ARG HE . 15513 1 46 . 1 1 5 5 ARG HG2 H 1 1.90 0.02 . 2 . . . . 41 ARG HG2 . 15513 1 47 . 1 1 5 5 ARG HG3 H 1 1.80 0.02 . 2 . . . . 41 ARG HG3 . 15513 1 48 . 1 1 5 5 ARG C C 13 180.8 0.3 . 1 . . . . 41 ARG C . 15513 1 49 . 1 1 5 5 ARG CA C 13 60.4 0.3 . 1 . . . . 41 ARG CA . 15513 1 50 . 1 1 5 5 ARG CB C 13 32.2 0.3 . 1 . . . . 41 ARG CB . 15513 1 51 . 1 1 5 5 ARG CD C 13 45.2 0.3 . 1 . . . . 41 ARG CD . 15513 1 52 . 1 1 5 5 ARG CG C 13 29.2 0.3 . 1 . . . . 41 ARG CG . 15513 1 53 . 1 1 5 5 ARG N N 15 117.5 0.3 . 1 . . . . 41 ARG N . 15513 1 54 . 1 1 5 5 ARG NE N 15 109.2 0.3 . 1 . . . . 41 ARG NE . 15513 1 55 . 1 1 6 6 LEU H H 1 7.95 0.02 . 1 . . . . 42 LEU H . 15513 1 56 . 1 1 6 6 LEU HA H 1 4.19 0.02 . 1 . . . . 42 LEU HA . 15513 1 57 . 1 1 6 6 LEU HB2 H 1 1.98 0.02 . 2 . . . . 42 LEU HB2 . 15513 1 58 . 1 1 6 6 LEU HB3 H 1 1.87 0.02 . 2 . . . . 42 LEU HB3 . 15513 1 59 . 1 1 6 6 LEU HD11 H 1 1.04 0.02 . 1 . . . . 42 LEU HD1 . 15513 1 60 . 1 1 6 6 LEU HD12 H 1 1.04 0.02 . 1 . . . . 42 LEU HD1 . 15513 1 61 . 1 1 6 6 LEU HD13 H 1 1.04 0.02 . 1 . . . . 42 LEU HD1 . 15513 1 62 . 1 1 6 6 LEU HD21 H 1 1.04 0.02 . 1 . . . . 42 LEU HD2 . 15513 1 63 . 1 1 6 6 LEU HD22 H 1 1.04 0.02 . 1 . . . . 42 LEU HD2 . 15513 1 64 . 1 1 6 6 LEU HD23 H 1 1.04 0.02 . 1 . . . . 42 LEU HD2 . 15513 1 65 . 1 1 6 6 LEU HG H 1 1.80 0.02 . 1 . . . . 42 LEU HG . 15513 1 66 . 1 1 6 6 LEU C C 13 180.2 0.3 . 1 . . . . 42 LEU C . 15513 1 67 . 1 1 6 6 LEU CA C 13 59.9 0.3 . 1 . . . . 42 LEU CA . 15513 1 68 . 1 1 6 6 LEU CB C 13 43.7 0.3 . 1 . . . . 42 LEU CB . 15513 1 69 . 1 1 6 6 LEU CD1 C 13 26.5 0.3 . 1 . . . . 42 LEU CD1 . 15513 1 70 . 1 1 6 6 LEU CD2 C 13 26.5 0.3 . 1 . . . . 42 LEU CD2 . 15513 1 71 . 1 1 6 6 LEU CG C 13 29.2 0.3 . 1 . . . . 42 LEU CG . 15513 1 72 . 1 1 6 6 LEU N N 15 120.7 0.3 . 1 . . . . 42 LEU N . 15513 1 73 . 1 1 7 7 ILE H H 1 8.27 0.02 . 1 . . . . 43 ILE H . 15513 1 74 . 1 1 7 7 ILE HA H 1 3.71 0.02 . 1 . . . . 43 ILE HA . 15513 1 75 . 1 1 7 7 ILE HB H 1 2.12 0.02 . 1 . . . . 43 ILE HB . 15513 1 76 . 1 1 7 7 ILE HD11 H 1 0.95 0.02 . 1 . . . . 43 ILE HD1 . 15513 1 77 . 1 1 7 7 ILE HD12 H 1 0.95 0.02 . 1 . . . . 43 ILE HD1 . 15513 1 78 . 1 1 7 7 ILE HD13 H 1 0.95 0.02 . 1 . . . . 43 ILE HD1 . 15513 1 79 . 1 1 7 7 ILE HG12 H 1 1.87 0.02 . 2 . . . . 43 ILE HG12 . 15513 1 80 . 1 1 7 7 ILE HG13 H 1 1.20 0.02 . 2 . . . . 43 ILE HG13 . 15513 1 81 . 1 1 7 7 ILE HG21 H 1 1.02 0.02 . 1 . . . . 43 ILE HG2 . 15513 1 82 . 1 1 7 7 ILE HG22 H 1 1.02 0.02 . 1 . . . . 43 ILE HG2 . 15513 1 83 . 1 1 7 7 ILE HG23 H 1 1.02 0.02 . 1 . . . . 43 ILE HG2 . 15513 1 84 . 1 1 7 7 ILE C C 13 180.9 0.3 . 1 . . . . 43 ILE C . 15513 1 85 . 1 1 7 7 ILE CA C 13 67.0 0.3 . 1 . . . . 43 ILE CA . 15513 1 86 . 1 1 7 7 ILE CB C 13 39.4 0.3 . 1 . . . . 43 ILE CB . 15513 1 87 . 1 1 7 7 ILE CD1 C 13 15.1 0.3 . 1 . . . . 43 ILE CD1 . 15513 1 88 . 1 1 7 7 ILE CG1 C 13 31.3 0.3 . 1 . . . . 43 ILE CG1 . 15513 1 89 . 1 1 7 7 ILE CG2 C 13 19.8 0.3 . 1 . . . . 43 ILE CG2 . 15513 1 90 . 1 1 7 7 ILE N N 15 118.3 0.3 . 1 . . . . 43 ILE N . 15513 1 91 . 1 1 8 8 ASP H H 1 8.34 0.02 . 1 . . . . 44 ASP H . 15513 1 92 . 1 1 8 8 ASP HA H 1 4.48 0.02 . 1 . . . . 44 ASP HA . 15513 1 93 . 1 1 8 8 ASP HB2 H 1 2.92 0.02 . 2 . . . . 44 ASP HB2 . 15513 1 94 . 1 1 8 8 ASP HB3 H 1 2.79 0.02 . 2 . . . . 44 ASP HB3 . 15513 1 95 . 1 1 8 8 ASP C C 13 179.9 0.3 . 1 . . . . 44 ASP C . 15513 1 96 . 1 1 8 8 ASP CA C 13 59.1 0.3 . 1 . . . . 44 ASP CA . 15513 1 97 . 1 1 8 8 ASP CB C 13 42.2 0.3 . 1 . . . . 44 ASP CB . 15513 1 98 . 1 1 8 8 ASP N N 15 121.4 0.3 . 1 . . . . 44 ASP N . 15513 1 99 . 1 1 9 9 ARG H H 1 7.85 0.02 . 1 . . . . 45 ARG H . 15513 1 100 . 1 1 9 9 ARG HA H 1 4.31 0.02 . 1 . . . . 45 ARG HA . 15513 1 101 . 1 1 9 9 ARG HB2 H 1 2.13 0.02 . 2 . . . . 45 ARG HB2 . 15513 1 102 . 1 1 9 9 ARG HB3 H 1 2.12 0.02 . 2 . . . . 45 ARG HB3 . 15513 1 103 . 1 1 9 9 ARG HD2 H 1 3.39 0.02 . 2 . . . . 45 ARG HD2 . 15513 1 104 . 1 1 9 9 ARG HD3 H 1 3.28 0.02 . 2 . . . . 45 ARG HD3 . 15513 1 105 . 1 1 9 9 ARG HE H 1 7.73 0.02 . 1 . . . . 45 ARG HE . 15513 1 106 . 1 1 9 9 ARG HG2 H 1 1.87 0.02 . 2 . . . . 45 ARG HG2 . 15513 1 107 . 1 1 9 9 ARG HG3 H 1 1.87 0.02 . 2 . . . . 45 ARG HG3 . 15513 1 108 . 1 1 9 9 ARG C C 13 180.4 0.3 . 1 . . . . 45 ARG C . 15513 1 109 . 1 1 9 9 ARG CA C 13 59.8 0.3 . 1 . . . . 45 ARG CA . 15513 1 110 . 1 1 9 9 ARG CB C 13 32.1 0.3 . 1 . . . . 45 ARG CB . 15513 1 111 . 1 1 9 9 ARG CD C 13 44.9 0.3 . 1 . . . . 45 ARG CD . 15513 1 112 . 1 1 9 9 ARG CG C 13 29.2 0.3 . 1 . . . . 45 ARG CG . 15513 1 113 . 1 1 9 9 ARG N N 15 117.7 0.3 . 1 . . . . 45 ARG N . 15513 1 114 . 1 1 9 9 ARG NE N 15 109.0 0.3 . 1 . . . . 45 ARG NE . 15513 1 115 . 1 1 10 10 ILE H H 1 8.12 0.02 . 1 . . . . 46 ILE H . 15513 1 116 . 1 1 10 10 ILE HA H 1 4.06 0.02 . 1 . . . . 46 ILE HA . 15513 1 117 . 1 1 10 10 ILE HB H 1 2.13 0.02 . 1 . . . . 46 ILE HB . 15513 1 118 . 1 1 10 10 ILE HD11 H 1 0.93 0.02 . 1 . . . . 46 ILE HD1 . 15513 1 119 . 1 1 10 10 ILE HD12 H 1 0.93 0.02 . 1 . . . . 46 ILE HD1 . 15513 1 120 . 1 1 10 10 ILE HD13 H 1 0.93 0.02 . 1 . . . . 46 ILE HD1 . 15513 1 121 . 1 1 10 10 ILE HG12 H 1 1.84 0.02 . 2 . . . . 46 ILE HG12 . 15513 1 122 . 1 1 10 10 ILE HG13 H 1 1.34 0.02 . 2 . . . . 46 ILE HG13 . 15513 1 123 . 1 1 10 10 ILE HG21 H 1 1.03 0.02 . 1 . . . . 46 ILE HG2 . 15513 1 124 . 1 1 10 10 ILE HG22 H 1 1.03 0.02 . 1 . . . . 46 ILE HG2 . 15513 1 125 . 1 1 10 10 ILE HG23 H 1 1.03 0.02 . 1 . . . . 46 ILE HG2 . 15513 1 126 . 1 1 10 10 ILE C C 13 178.5 0.3 . 1 . . . . 46 ILE C . 15513 1 127 . 1 1 10 10 ILE CA C 13 65.7 0.3 . 1 . . . . 46 ILE CA . 15513 1 128 . 1 1 10 10 ILE CB C 13 40.3 0.3 . 1 . . . . 46 ILE CB . 15513 1 129 . 1 1 10 10 ILE CD1 C 13 15.8 0.3 . 1 . . . . 46 ILE CD1 . 15513 1 130 . 1 1 10 10 ILE CG1 C 13 30.6 0.3 . 1 . . . . 46 ILE CG1 . 15513 1 131 . 1 1 10 10 ILE CG2 C 13 19.8 0.3 . 1 . . . . 46 ILE CG2 . 15513 1 132 . 1 1 10 10 ILE N N 15 116.4 0.3 . 1 . . . . 46 ILE N . 15513 1 133 . 1 1 11 11 THR H H 1 8.05 0.02 . 1 . . . . 47 THR H . 15513 1 134 . 1 1 11 11 THR HA H 1 4.31 0.02 . 1 . . . . 47 THR HA . 15513 1 135 . 1 1 11 11 THR HB H 1 4.43 0.02 . 1 . . . . 47 THR HB . 15513 1 136 . 1 1 11 11 THR HG21 H 1 1.35 0.02 . 1 . . . . 47 THR HG2 . 15513 1 137 . 1 1 11 11 THR HG22 H 1 1.35 0.02 . 1 . . . . 47 THR HG2 . 15513 1 138 . 1 1 11 11 THR HG23 H 1 1.35 0.02 . 1 . . . . 47 THR HG2 . 15513 1 139 . 1 1 11 11 THR C C 13 177.1 0.3 . 1 . . . . 47 THR C . 15513 1 140 . 1 1 11 11 THR CA C 13 65.4 0.3 . 1 . . . . 47 THR CA . 15513 1 141 . 1 1 11 11 THR CB C 13 71.6 0.3 . 1 . . . . 47 THR CB . 15513 1 142 . 1 1 11 11 THR CG2 C 13 23.8 0.3 . 1 . . . . 47 THR CG2 . 15513 1 143 . 1 1 11 11 THR N N 15 110.8 0.3 . 1 . . . . 47 THR N . 15513 1 144 . 1 1 12 12 GLU H H 1 8.04 0.02 . 1 . . . . 48 GLU H . 15513 1 145 . 1 1 12 12 GLU HA H 1 4.28 0.02 . 1 . . . . 48 GLU HA . 15513 1 146 . 1 1 12 12 GLU HB2 H 1 2.20 0.02 . 2 . . . . 48 GLU HB2 . 15513 1 147 . 1 1 12 12 GLU HB3 H 1 2.19 0.02 . 2 . . . . 48 GLU HB3 . 15513 1 148 . 1 1 12 12 GLU HG2 H 1 2.39 0.02 . 2 . . . . 48 GLU HG2 . 15513 1 149 . 1 1 12 12 GLU HG3 H 1 2.39 0.02 . 2 . . . . 48 GLU HG3 . 15513 1 150 . 1 1 12 12 GLU C C 13 178.7 0.3 . 1 . . . . 48 GLU C . 15513 1 151 . 1 1 12 12 GLU CA C 13 59.0 0.3 . 1 . . . . 48 GLU CA . 15513 1 152 . 1 1 12 12 GLU CB C 13 31.2 0.3 . 1 . . . . 48 GLU CB . 15513 1 153 . 1 1 12 12 GLU CG C 13 37.8 0.3 . 1 . . . . 48 GLU CG . 15513 1 154 . 1 1 12 12 GLU N N 15 121.7 0.3 . 1 . . . . 48 GLU N . 15513 1 155 . 1 1 13 13 ARG H H 1 8.25 0.02 . 1 . . . . 49 ARG H . 15513 1 156 . 1 1 13 13 ARG HA H 1 4.41 0.02 . 1 . . . . 49 ARG HA . 15513 1 157 . 1 1 13 13 ARG HB2 H 1 1.98 0.02 . 2 . . . . 49 ARG HB2 . 15513 1 158 . 1 1 13 13 ARG HB3 H 1 1.94 0.02 . 2 . . . . 49 ARG HB3 . 15513 1 159 . 1 1 13 13 ARG HD2 H 1 3.31 0.02 . 2 . . . . 49 ARG HD2 . 15513 1 160 . 1 1 13 13 ARG HD3 H 1 3.30 0.02 . 2 . . . . 49 ARG HD3 . 15513 1 161 . 1 1 13 13 ARG HE H 1 7.57 0.02 . 1 . . . . 49 ARG HE . 15513 1 162 . 1 1 13 13 ARG HG2 H 1 1.78 0.02 . 2 . . . . 49 ARG HG2 . 15513 1 163 . 1 1 13 13 ARG HG3 H 1 1.78 0.02 . 2 . . . . 49 ARG HG3 . 15513 1 164 . 1 1 13 13 ARG C C 13 178.4 0.3 . 1 . . . . 49 ARG C . 15513 1 165 . 1 1 13 13 ARG CA C 13 58.2 0.3 . 1 . . . . 49 ARG CA . 15513 1 166 . 1 1 13 13 ARG CB C 13 32.6 0.3 . 1 . . . . 49 ARG CB . 15513 1 167 . 1 1 13 13 ARG CD C 13 45.1 0.3 . 1 . . . . 49 ARG CD . 15513 1 168 . 1 1 13 13 ARG CG C 13 29.2 0.3 . 1 . . . . 49 ARG CG . 15513 1 169 . 1 1 13 13 ARG N N 15 121.3 0.3 . 1 . . . . 49 ARG N . 15513 1 170 . 1 1 13 13 ARG NE N 15 109.5 0.3 . 1 . . . . 49 ARG NE . 15513 1 171 . 1 1 14 14 ALA H H 1 8.46 0.02 . 1 . . . . 50 ALA H . 15513 1 172 . 1 1 14 14 ALA HA H 1 4.38 0.02 . 1 . . . . 50 ALA HA . 15513 1 173 . 1 1 14 14 ALA HB1 H 1 1.51 0.02 . 1 . . . . 50 ALA HB . 15513 1 174 . 1 1 14 14 ALA HB2 H 1 1.51 0.02 . 1 . . . . 50 ALA HB . 15513 1 175 . 1 1 14 14 ALA HB3 H 1 1.51 0.02 . 1 . . . . 50 ALA HB . 15513 1 176 . 1 1 14 14 ALA C C 13 179.9 0.3 . 1 . . . . 50 ALA C . 15513 1 177 . 1 1 14 14 ALA CA C 13 54.7 0.3 . 1 . . . . 50 ALA CA . 15513 1 178 . 1 1 14 14 ALA CB C 13 21.2 0.3 . 1 . . . . 50 ALA CB . 15513 1 179 . 1 1 14 14 ALA N N 15 124.8 0.3 . 1 . . . . 50 ALA N . 15513 1 180 . 1 1 15 15 GLU H H 1 8.44 0.02 . 1 . . . . 51 GLU H . 15513 1 181 . 1 1 15 15 GLU HA H 1 4.33 0.02 . 1 . . . . 51 GLU HA . 15513 1 182 . 1 1 15 15 GLU HB2 H 1 2.16 0.02 . 2 . . . . 51 GLU HB2 . 15513 1 183 . 1 1 15 15 GLU HB3 H 1 2.05 0.02 . 2 . . . . 51 GLU HB3 . 15513 1 184 . 1 1 15 15 GLU HG2 H 1 2.40 0.02 . 2 . . . . 51 GLU HG2 . 15513 1 185 . 1 1 15 15 GLU HG3 H 1 2.40 0.02 . 2 . . . . 51 GLU HG3 . 15513 1 186 . 1 1 15 15 GLU C C 13 178.4 0.3 . 1 . . . . 51 GLU C . 15513 1 187 . 1 1 15 15 GLU CA C 13 58.6 0.3 . 1 . . . . 51 GLU CA . 15513 1 188 . 1 1 15 15 GLU CB C 13 31.9 0.3 . 1 . . . . 51 GLU CB . 15513 1 189 . 1 1 15 15 GLU CG C 13 37.8 0.3 . 1 . . . . 51 GLU CG . 15513 1 190 . 1 1 15 15 GLU N N 15 119.6 0.3 . 1 . . . . 51 GLU N . 15513 1 191 . 1 1 16 16 ASP H H 1 8.39 0.02 . 1 . . . . 52 ASP H . 15513 1 192 . 1 1 16 16 ASP HA H 1 4.74 0.02 . 1 . . . . 52 ASP HA . 15513 1 193 . 1 1 16 16 ASP HB2 H 1 2.83 0.02 . 2 . . . . 52 ASP HB2 . 15513 1 194 . 1 1 16 16 ASP HB3 H 1 2.77 0.02 . 2 . . . . 52 ASP HB3 . 15513 1 195 . 1 1 16 16 ASP C C 13 178.5 0.3 . 1 . . . . 52 ASP C . 15513 1 196 . 1 1 16 16 ASP CA C 13 56.1 0.3 . 1 . . . . 52 ASP CA . 15513 1 197 . 1 1 16 16 ASP CB C 13 43.1 0.3 . 1 . . . . 52 ASP CB . 15513 1 198 . 1 1 16 16 ASP N N 15 121.3 0.3 . 1 . . . . 52 ASP N . 15513 1 199 . 1 1 17 17 SER H H 1 8.40 0.02 . 1 . . . . 53 SER H . 15513 1 200 . 1 1 17 17 SER HA H 1 4.51 0.02 . 1 . . . . 53 SER HA . 15513 1 201 . 1 1 17 17 SER HB2 H 1 4.02 0.02 . 2 . . . . 53 SER HB2 . 15513 1 202 . 1 1 17 17 SER HB3 H 1 3.97 0.02 . 2 . . . . 53 SER HB3 . 15513 1 203 . 1 1 17 17 SER C C 13 177.4 0.3 . 1 . . . . 53 SER C . 15513 1 204 . 1 1 17 17 SER CA C 13 60.7 0.3 . 1 . . . . 53 SER CA . 15513 1 205 . 1 1 17 17 SER CB C 13 65.7 0.3 . 1 . . . . 53 SER CB . 15513 1 206 . 1 1 17 17 SER N N 15 116.8 0.3 . 1 . . . . 53 SER N . 15513 1 207 . 1 1 18 18 GLY H H 1 8.62 0.02 . 1 . . . . 54 GLY H . 15513 1 208 . 1 1 18 18 GLY HA2 H 1 4.07 0.02 . 2 . . . . 54 GLY HA2 . 15513 1 209 . 1 1 18 18 GLY HA3 H 1 4.07 0.02 . 2 . . . . 54 GLY HA3 . 15513 1 210 . 1 1 18 18 GLY C C 13 176.2 0.3 . 1 . . . . 54 GLY C . 15513 1 211 . 1 1 18 18 GLY CA C 13 47.3 0.3 . 1 . . . . 54 GLY CA . 15513 1 212 . 1 1 18 18 GLY N N 15 110.7 0.3 . 1 . . . . 54 GLY N . 15513 1 213 . 1 1 19 19 ASN H H 1 8.37 0.02 . 1 . . . . 55 ASN H . 15513 1 214 . 1 1 19 19 ASN HA H 1 4.84 0.02 . 1 . . . . 55 ASN HA . 15513 1 215 . 1 1 19 19 ASN HB2 H 1 2.92 0.02 . 2 . . . . 55 ASN HB2 . 15513 1 216 . 1 1 19 19 ASN HB3 H 1 2.83 0.02 . 2 . . . . 55 ASN HB3 . 15513 1 217 . 1 1 19 19 ASN HD21 H 1 7.70 0.02 . 1 . . . . 55 ASN HD21 . 15513 1 218 . 1 1 19 19 ASN HD22 H 1 6.99 0.02 . 1 . . . . 55 ASN HD22 . 15513 1 219 . 1 1 19 19 ASN C C 13 177.5 0.3 . 1 . . . . 55 ASN C . 15513 1 220 . 1 1 19 19 ASN CA C 13 55.1 0.3 . 1 . . . . 55 ASN CA . 15513 1 221 . 1 1 19 19 ASN CB C 13 41.0 0.3 . 1 . . . . 55 ASN CB . 15513 1 222 . 1 1 19 19 ASN CG C 13 179.2 0.3 . 1 . . . . 55 ASN CG . 15513 1 223 . 1 1 19 19 ASN N N 15 118.6 0.3 . 1 . . . . 55 ASN N . 15513 1 224 . 1 1 19 19 ASN ND2 N 15 112.9 0.3 . 1 . . . . 55 ASN ND2 . 15513 1 225 . 1 1 20 20 GLU H H 1 8.66 0.02 . 1 . . . . 56 GLU H . 15513 1 226 . 1 1 20 20 GLU HA H 1 4.39 0.02 . 1 . . . . 56 GLU HA . 15513 1 227 . 1 1 20 20 GLU HB2 H 1 2.18 0.02 . 2 . . . . 56 GLU HB2 . 15513 1 228 . 1 1 20 20 GLU HB3 H 1 2.06 0.02 . 2 . . . . 56 GLU HB3 . 15513 1 229 . 1 1 20 20 GLU HG2 H 1 2.38 0.02 . 1 . . . . 56 GLU HG2 . 15513 1 230 . 1 1 20 20 GLU HG3 H 1 2.38 0.02 . 1 . . . . 56 GLU HG3 . 15513 1 231 . 1 1 20 20 GLU C C 13 178.7 0.3 . 1 . . . . 56 GLU C . 15513 1 232 . 1 1 20 20 GLU CA C 13 58.8 0.3 . 1 . . . . 56 GLU CA . 15513 1 233 . 1 1 20 20 GLU CB C 13 32.0 0.3 . 1 . . . . 56 GLU CB . 15513 1 234 . 1 1 20 20 GLU CG C 13 37.9 0.3 . 1 . . . . 56 GLU CG . 15513 1 235 . 1 1 20 20 GLU N N 15 121.5 0.3 . 1 . . . . 56 GLU N . 15513 1 236 . 1 1 21 21 SER H H 1 8.45 0.02 . 1 . . . . 57 SER H . 15513 1 237 . 1 1 21 21 SER HA H 1 4.55 0.02 . 1 . . . . 57 SER HA . 15513 1 238 . 1 1 21 21 SER HB2 H 1 3.96 0.02 . 1 . . . . 57 SER HB2 . 15513 1 239 . 1 1 21 21 SER HB3 H 1 3.96 0.02 . 1 . . . . 57 SER HB3 . 15513 1 240 . 1 1 21 21 SER C C 13 176.7 0.3 . 1 . . . . 57 SER C . 15513 1 241 . 1 1 21 21 SER CA C 13 60.2 0.3 . 1 . . . . 57 SER CA . 15513 1 242 . 1 1 21 21 SER CB C 13 65.7 0.3 . 1 . . . . 57 SER CB . 15513 1 243 . 1 1 21 21 SER N N 15 116.5 0.3 . 1 . . . . 57 SER N . 15513 1 244 . 1 1 22 22 GLU H H 1 8.53 0.02 . 1 . . . . 58 GLU H . 15513 1 245 . 1 1 22 22 GLU HA H 1 4.40 0.02 . 1 . . . . 58 GLU HA . 15513 1 246 . 1 1 22 22 GLU HB2 H 1 2.15 0.02 . 2 . . . . 58 GLU HB2 . 15513 1 247 . 1 1 22 22 GLU HB3 H 1 2.05 0.02 . 2 . . . . 58 GLU HB3 . 15513 1 248 . 1 1 22 22 GLU HG2 H 1 2.37 0.02 . 2 . . . . 58 GLU HG2 . 15513 1 249 . 1 1 22 22 GLU HG3 H 1 2.36 0.02 . 2 . . . . 58 GLU HG3 . 15513 1 250 . 1 1 22 22 GLU C C 13 179.1 0.3 . 1 . . . . 58 GLU C . 15513 1 251 . 1 1 22 22 GLU CA C 13 58.9 0.3 . 1 . . . . 58 GLU CA . 15513 1 252 . 1 1 22 22 GLU CB C 13 32.1 0.3 . 1 . . . . 58 GLU CB . 15513 1 253 . 1 1 22 22 GLU CG C 13 38.2 0.3 . 1 . . . . 58 GLU CG . 15513 1 254 . 1 1 22 22 GLU N N 15 122.9 0.3 . 1 . . . . 58 GLU N . 15513 1 255 . 1 1 23 23 GLY H H 1 8.45 0.02 . 1 . . . . 59 GLY H . 15513 1 256 . 1 1 23 23 GLY HA2 H 1 4.06 0.02 . 1 . . . . 59 GLY HA2 . 15513 1 257 . 1 1 23 23 GLY HA3 H 1 4.06 0.02 . 1 . . . . 59 GLY HA3 . 15513 1 258 . 1 1 23 23 GLY C C 13 176.0 0.3 . 1 . . . . 59 GLY C . 15513 1 259 . 1 1 23 23 GLY CA C 13 47.3 0.3 . 1 . . . . 59 GLY CA . 15513 1 260 . 1 1 23 23 GLY N N 15 109.5 0.3 . 1 . . . . 59 GLY N . 15513 1 261 . 1 1 24 24 ASP H H 1 8.35 0.02 . 1 . . . . 60 ASP H . 15513 1 262 . 1 1 24 24 ASP HA H 1 4.69 0.02 . 1 . . . . 60 ASP HA . 15513 1 263 . 1 1 24 24 ASP HB2 H 1 2.78 0.02 . 2 . . . . 60 ASP HB2 . 15513 1 264 . 1 1 24 24 ASP HB3 H 1 2.70 0.02 . 2 . . . . 60 ASP HB3 . 15513 1 265 . 1 1 24 24 ASP C C 13 178.6 0.3 . 1 . . . . 60 ASP C . 15513 1 266 . 1 1 24 24 ASP CA C 13 56.1 0.3 . 1 . . . . 60 ASP CA . 15513 1 267 . 1 1 24 24 ASP CB C 13 43.0 0.3 . 1 . . . . 60 ASP CB . 15513 1 268 . 1 1 24 24 ASP N N 15 120.5 0.3 . 1 . . . . 60 ASP N . 15513 1 269 . 1 1 25 25 GLN H H 1 8.50 0.02 . 1 . . . . 61 GLN H . 15513 1 270 . 1 1 25 25 GLN HA H 1 4.38 0.02 . 1 . . . . 61 GLN HA . 15513 1 271 . 1 1 25 25 GLN HB2 H 1 2.23 0.02 . 2 . . . . 61 GLN HB2 . 15513 1 272 . 1 1 25 25 GLN HB3 H 1 2.11 0.02 . 2 . . . . 61 GLN HB3 . 15513 1 273 . 1 1 25 25 GLN HE21 H 1 7.63 0.02 . 1 . . . . 61 GLN HE21 . 15513 1 274 . 1 1 25 25 GLN HE22 H 1 6.90 0.02 . 1 . . . . 61 GLN HE22 . 15513 1 275 . 1 1 25 25 GLN HG2 H 1 2.46 0.02 . 2 . . . . 61 GLN HG2 . 15513 1 276 . 1 1 25 25 GLN HG3 H 1 2.46 0.02 . 2 . . . . 61 GLN HG3 . 15513 1 277 . 1 1 25 25 GLN C C 13 178.4 0.3 . 1 . . . . 61 GLN C . 15513 1 278 . 1 1 25 25 GLN CA C 13 58.3 0.3 . 1 . . . . 61 GLN CA . 15513 1 279 . 1 1 25 25 GLN CB C 13 31.1 0.3 . 1 . . . . 61 GLN CB . 15513 1 280 . 1 1 25 25 GLN CD C 13 182.5 0.3 . 1 . . . . 61 GLN CD . 15513 1 281 . 1 1 25 25 GLN CG C 13 35.8 0.3 . 1 . . . . 61 GLN CG . 15513 1 282 . 1 1 25 25 GLN N N 15 120.3 0.3 . 1 . . . . 61 GLN N . 15513 1 283 . 1 1 25 25 GLN NE2 N 15 112.4 0.3 . 1 . . . . 61 GLN NE2 . 15513 1 284 . 1 1 26 26 GLU H H 1 8.55 0.02 . 1 . . . . 62 GLU H . 15513 1 285 . 1 1 26 26 GLU HA H 1 4.33 0.02 . 1 . . . . 62 GLU HA . 15513 1 286 . 1 1 26 26 GLU HB2 H 1 2.16 0.02 . 2 . . . . 62 GLU HB2 . 15513 1 287 . 1 1 26 26 GLU HB3 H 1 2.08 0.02 . 2 . . . . 62 GLU HB3 . 15513 1 288 . 1 1 26 26 GLU HG2 H 1 2.39 0.02 . 2 . . . . 62 GLU HG2 . 15513 1 289 . 1 1 26 26 GLU HG3 H 1 2.38 0.02 . 2 . . . . 62 GLU HG3 . 15513 1 290 . 1 1 26 26 GLU C C 13 178.9 0.3 . 1 . . . . 62 GLU C . 15513 1 291 . 1 1 26 26 GLU CA C 13 59.1 0.3 . 1 . . . . 62 GLU CA . 15513 1 292 . 1 1 26 26 GLU CB C 13 31.9 0.3 . 1 . . . . 62 GLU CB . 15513 1 293 . 1 1 26 26 GLU CG C 13 37.9 0.3 . 1 . . . . 62 GLU CG . 15513 1 294 . 1 1 26 26 GLU N N 15 122.0 0.3 . 1 . . . . 62 GLU N . 15513 1 295 . 1 1 27 27 GLU H H 1 8.55 0.02 . 1 . . . . 63 GLU H . 15513 1 296 . 1 1 27 27 GLU HA H 1 4.33 0.02 . 1 . . . . 63 GLU HA . 15513 1 297 . 1 1 27 27 GLU HB2 H 1 2.12 0.02 . 2 . . . . 63 GLU HB2 . 15513 1 298 . 1 1 27 27 GLU HB3 H 1 2.05 0.02 . 2 . . . . 63 GLU HB3 . 15513 1 299 . 1 1 27 27 GLU HG2 H 1 2.36 0.02 . 2 . . . . 63 GLU HG2 . 15513 1 300 . 1 1 27 27 GLU HG3 H 1 2.35 0.02 . 2 . . . . 63 GLU HG3 . 15513 1 301 . 1 1 27 27 GLU C C 13 179.3 0.3 . 1 . . . . 63 GLU C . 15513 1 302 . 1 1 27 27 GLU CA C 13 58.5 0.3 . 1 . . . . 63 GLU CA . 15513 1 303 . 1 1 27 27 GLU CB C 13 32.1 0.3 . 1 . . . . 63 GLU CB . 15513 1 304 . 1 1 27 27 GLU CG C 13 38.2 0.3 . 1 . . . . 63 GLU CG . 15513 1 305 . 1 1 27 27 GLU N N 15 121.9 0.3 . 1 . . . . 63 GLU N . 15513 1 306 . 1 1 28 28 LEU H H 1 8.53 0.02 . 1 . . . . 64 LEU H . 15513 1 307 . 1 1 28 28 LEU HA H 1 4.36 0.02 . 1 . . . . 64 LEU HA . 15513 1 308 . 1 1 28 28 LEU HB2 H 1 1.84 0.02 . 2 . . . . 64 LEU HB2 . 15513 1 309 . 1 1 28 28 LEU HB3 H 1 1.72 0.02 . 2 . . . . 64 LEU HB3 . 15513 1 310 . 1 1 28 28 LEU HD11 H 1 1.02 0.02 . 1 . . . . 64 LEU HD1 . 15513 1 311 . 1 1 28 28 LEU HD12 H 1 1.02 0.02 . 1 . . . . 64 LEU HD1 . 15513 1 312 . 1 1 28 28 LEU HD13 H 1 1.02 0.02 . 1 . . . . 64 LEU HD1 . 15513 1 313 . 1 1 28 28 LEU HD21 H 1 0.96 0.02 . 1 . . . . 64 LEU HD2 . 15513 1 314 . 1 1 28 28 LEU HD22 H 1 0.96 0.02 . 1 . . . . 64 LEU HD2 . 15513 1 315 . 1 1 28 28 LEU HD23 H 1 0.96 0.02 . 1 . . . . 64 LEU HD2 . 15513 1 316 . 1 1 28 28 LEU HG H 1 1.81 0.02 . 1 . . . . 64 LEU HG . 15513 1 317 . 1 1 28 28 LEU C C 13 180.2 0.3 . 1 . . . . 64 LEU C . 15513 1 318 . 1 1 28 28 LEU CA C 13 58.8 0.3 . 1 . . . . 64 LEU CA . 15513 1 319 . 1 1 28 28 LEU CB C 13 43.9 0.3 . 1 . . . . 64 LEU CB . 15513 1 320 . 1 1 28 28 LEU CD1 C 13 27.0 0.3 . 1 . . . . 64 LEU CD1 . 15513 1 321 . 1 1 28 28 LEU CD2 C 13 25.9 0.3 . 1 . . . . 64 LEU CD2 . 15513 1 322 . 1 1 28 28 LEU CG C 13 29.2 0.3 . 1 . . . . 64 LEU CG . 15513 1 323 . 1 1 28 28 LEU N N 15 122.7 0.3 . 1 . . . . 64 LEU N . 15513 1 324 . 1 1 29 29 SER H H 1 8.43 0.02 . 1 . . . . 65 SER H . 15513 1 325 . 1 1 29 29 SER HA H 1 4.32 0.02 . 1 . . . . 65 SER HA . 15513 1 326 . 1 1 29 29 SER HB2 H 1 4.01 0.02 . 2 . . . . 65 SER HB2 . 15513 1 327 . 1 1 29 29 SER HB3 H 1 3.98 0.02 . 2 . . . . 65 SER HB3 . 15513 1 328 . 1 1 29 29 SER C C 13 177.3 0.3 . 1 . . . . 65 SER C . 15513 1 329 . 1 1 29 29 SER CA C 13 62.3 0.3 . 1 . . . . 65 SER CA . 15513 1 330 . 1 1 29 29 SER CB C 13 64.8 0.3 . 1 . . . . 65 SER CB . 15513 1 331 . 1 1 29 29 SER N N 15 114.8 0.3 . 1 . . . . 65 SER N . 15513 1 332 . 1 1 30 30 ALA H H 1 8.08 0.02 . 1 . . . . 66 ALA H . 15513 1 333 . 1 1 30 30 ALA HA H 1 4.37 0.02 . 1 . . . . 66 ALA HA . 15513 1 334 . 1 1 30 30 ALA HB1 H 1 1.55 0.02 . 1 . . . . 66 ALA HB . 15513 1 335 . 1 1 30 30 ALA HB2 H 1 1.55 0.02 . 1 . . . . 66 ALA HB . 15513 1 336 . 1 1 30 30 ALA HB3 H 1 1.55 0.02 . 1 . . . . 66 ALA HB . 15513 1 337 . 1 1 30 30 ALA C C 13 180.6 0.3 . 1 . . . . 66 ALA C . 15513 1 338 . 1 1 30 30 ALA CA C 13 55.6 0.3 . 1 . . . . 66 ALA CA . 15513 1 339 . 1 1 30 30 ALA CB C 13 20.7 0.3 . 1 . . . . 66 ALA CB . 15513 1 340 . 1 1 30 30 ALA N N 15 124.6 0.3 . 1 . . . . 66 ALA N . 15513 1 341 . 1 1 31 31 LEU H H 1 8.05 0.02 . 1 . . . . 67 LEU H . 15513 1 342 . 1 1 31 31 LEU HA H 1 4.27 0.02 . 1 . . . . 67 LEU HA . 15513 1 343 . 1 1 31 31 LEU HB2 H 1 1.91 0.02 . 2 . . . . 67 LEU HB2 . 15513 1 344 . 1 1 31 31 LEU HB3 H 1 1.72 0.02 . 2 . . . . 67 LEU HB3 . 15513 1 345 . 1 1 31 31 LEU HD11 H 1 1.02 0.02 . 1 . . . . 67 LEU HD1 . 15513 1 346 . 1 1 31 31 LEU HD12 H 1 1.02 0.02 . 1 . . . . 67 LEU HD1 . 15513 1 347 . 1 1 31 31 LEU HD13 H 1 1.02 0.02 . 1 . . . . 67 LEU HD1 . 15513 1 348 . 1 1 31 31 LEU HD21 H 1 0.97 0.02 . 1 . . . . 67 LEU HD2 . 15513 1 349 . 1 1 31 31 LEU HD22 H 1 0.97 0.02 . 1 . . . . 67 LEU HD2 . 15513 1 350 . 1 1 31 31 LEU HD23 H 1 0.97 0.02 . 1 . . . . 67 LEU HD2 . 15513 1 351 . 1 1 31 31 LEU HG H 1 1.82 0.02 . 1 . . . . 67 LEU HG . 15513 1 352 . 1 1 31 31 LEU C C 13 179.9 0.3 . 1 . . . . 67 LEU C . 15513 1 353 . 1 1 31 31 LEU CA C 13 58.8 0.3 . 1 . . . . 67 LEU CA . 15513 1 354 . 1 1 31 31 LEU CB C 13 44.2 0.3 . 1 . . . . 67 LEU CB . 15513 1 355 . 1 1 31 31 LEU CD1 C 13 27.0 0.3 . 1 . . . . 67 LEU CD1 . 15513 1 356 . 1 1 31 31 LEU CD2 C 13 25.9 0.3 . 1 . . . . 67 LEU CD2 . 15513 1 357 . 1 1 31 31 LEU CG C 13 29.1 0.3 . 1 . . . . 67 LEU CG . 15513 1 358 . 1 1 31 31 LEU N N 15 119.5 0.3 . 1 . . . . 67 LEU N . 15513 1 359 . 1 1 32 32 VAL H H 1 7.87 0.02 . 1 . . . . 68 VAL H . 15513 1 360 . 1 1 32 32 VAL HA H 1 4.04 0.02 . 1 . . . . 68 VAL HA . 15513 1 361 . 1 1 32 32 VAL HB H 1 2.25 0.02 . 1 . . . . 68 VAL HB . 15513 1 362 . 1 1 32 32 VAL HG11 H 1 1.03 0.02 . 1 . . . . 68 VAL HG1 . 15513 1 363 . 1 1 32 32 VAL HG12 H 1 1.03 0.02 . 1 . . . . 68 VAL HG1 . 15513 1 364 . 1 1 32 32 VAL HG13 H 1 1.03 0.02 . 1 . . . . 68 VAL HG1 . 15513 1 365 . 1 1 32 32 VAL HG21 H 1 1.08 0.02 . 1 . . . . 68 VAL HG2 . 15513 1 366 . 1 1 32 32 VAL HG22 H 1 1.08 0.02 . 1 . . . . 68 VAL HG2 . 15513 1 367 . 1 1 32 32 VAL HG23 H 1 1.08 0.02 . 1 . . . . 68 VAL HG2 . 15513 1 368 . 1 1 32 32 VAL C C 13 178.6 0.3 . 1 . . . . 68 VAL C . 15513 1 369 . 1 1 32 32 VAL CA C 13 65.6 0.3 . 1 . . . . 68 VAL CA . 15513 1 370 . 1 1 32 32 VAL CB C 13 34.3 0.3 . 1 . . . . 68 VAL CB . 15513 1 371 . 1 1 32 32 VAL CG1 C 13 23.4 0.3 . 1 . . . . 68 VAL CG1 . 15513 1 372 . 1 1 32 32 VAL CG2 C 13 23.5 0.3 . 1 . . . . 68 VAL CG2 . 15513 1 373 . 1 1 32 32 VAL N N 15 117.9 0.3 . 1 . . . . 68 VAL N . 15513 1 374 . 1 1 33 33 GLU H H 1 8.27 0.02 . 1 . . . . 69 GLU H . 15513 1 375 . 1 1 33 33 GLU HA H 1 4.31 0.02 . 1 . . . . 69 GLU HA . 15513 1 376 . 1 1 33 33 GLU HB2 H 1 2.14 0.02 . 2 . . . . 69 GLU HB2 . 15513 1 377 . 1 1 33 33 GLU HB3 H 1 2.06 0.02 . 2 . . . . 69 GLU HB3 . 15513 1 378 . 1 1 33 33 GLU HG2 H 1 2.38 0.02 . 2 . . . . 69 GLU HG2 . 15513 1 379 . 1 1 33 33 GLU HG3 H 1 2.35 0.02 . 2 . . . . 69 GLU HG3 . 15513 1 380 . 1 1 33 33 GLU C C 13 179.1 0.3 . 1 . . . . 69 GLU C . 15513 1 381 . 1 1 33 33 GLU CA C 13 59.1 0.3 . 1 . . . . 69 GLU CA . 15513 1 382 . 1 1 33 33 GLU CB C 13 32.1 0.3 . 1 . . . . 69 GLU CB . 15513 1 383 . 1 1 33 33 GLU CG C 13 38.0 0.3 . 1 . . . . 69 GLU CG . 15513 1 384 . 1 1 33 33 GLU N N 15 122.4 0.3 . 1 . . . . 69 GLU N . 15513 1 385 . 1 1 34 34 ARG H H 1 8.31 0.02 . 1 . . . . 70 ARG H . 15513 1 386 . 1 1 34 34 ARG HA H 1 4.33 0.02 . 1 . . . . 70 ARG HA . 15513 1 387 . 1 1 34 34 ARG HB2 H 1 1.98 0.02 . 2 . . . . 70 ARG HB2 . 15513 1 388 . 1 1 34 34 ARG HB3 H 1 1.94 0.02 . 2 . . . . 70 ARG HB3 . 15513 1 389 . 1 1 34 34 ARG HD2 H 1 3.28 0.02 . 2 . . . . 70 ARG HD2 . 15513 1 390 . 1 1 34 34 ARG HD3 H 1 3.27 0.02 . 2 . . . . 70 ARG HD3 . 15513 1 391 . 1 1 34 34 ARG HE H 1 7.58 0.02 . 1 . . . . 70 ARG HE . 15513 1 392 . 1 1 34 34 ARG HG2 H 1 1.77 0.02 . 2 . . . . 70 ARG HG2 . 15513 1 393 . 1 1 34 34 ARG HG3 H 1 1.77 0.02 . 2 . . . . 70 ARG HG3 . 15513 1 394 . 1 1 34 34 ARG C C 13 179.2 0.3 . 1 . . . . 70 ARG C . 15513 1 395 . 1 1 34 34 ARG CA C 13 58.9 0.3 . 1 . . . . 70 ARG CA . 15513 1 396 . 1 1 34 34 ARG CB C 13 32.6 0.3 . 1 . . . . 70 ARG CB . 15513 1 397 . 1 1 34 34 ARG CD C 13 45.2 0.3 . 1 . . . . 70 ARG CD . 15513 1 398 . 1 1 34 34 ARG CG C 13 29.2 0.3 . 1 . . . . 70 ARG CG . 15513 1 399 . 1 1 34 34 ARG N N 15 120.6 0.3 . 1 . . . . 70 ARG N . 15513 1 400 . 1 1 34 34 ARG NE N 15 109.1 0.3 . 1 . . . . 70 ARG NE . 15513 1 401 . 1 1 35 35 GLY H H 1 8.39 0.02 . 1 . . . . 71 GLY H . 15513 1 402 . 1 1 35 35 GLY HA2 H 1 3.96 0.02 . 2 . . . . 71 GLY HA2 . 15513 1 403 . 1 1 35 35 GLY HA3 H 1 3.94 0.02 . 2 . . . . 71 GLY HA3 . 15513 1 404 . 1 1 35 35 GLY C C 13 175.8 0.3 . 1 . . . . 71 GLY C . 15513 1 405 . 1 1 35 35 GLY CA C 13 47.5 0.3 . 1 . . . . 71 GLY CA . 15513 1 406 . 1 1 35 35 GLY N N 15 108.0 0.3 . 1 . . . . 71 GLY N . 15513 1 407 . 1 1 36 36 HIS H H 1 8.26 0.02 . 1 . . . . 72 HIS H . 15513 1 408 . 1 1 36 36 HIS HA H 1 4.72 0.02 . 1 . . . . 72 HIS HA . 15513 1 409 . 1 1 36 36 HIS HB2 H 1 3.38 0.02 . 2 . . . . 72 HIS HB2 . 15513 1 410 . 1 1 36 36 HIS HB3 H 1 3.27 0.02 . 2 . . . . 72 HIS HB3 . 15513 1 411 . 1 1 36 36 HIS HD2 H 1 7.33 0.02 . 1 . . . . 72 HIS HD2 . 15513 1 412 . 1 1 36 36 HIS HE1 H 1 8.61 0.02 . 1 . . . . 72 HIS HE1 . 15513 1 413 . 1 1 36 36 HIS C C 13 176.4 0.3 . 1 . . . . 72 HIS C . 15513 1 414 . 1 1 36 36 HIS CA C 13 57.4 0.3 . 1 . . . . 72 HIS CA . 15513 1 415 . 1 1 36 36 HIS CB C 13 30.9 0.3 . 1 . . . . 72 HIS CB . 15513 1 416 . 1 1 36 36 HIS CD2 C 13 122.1 0.3 . 1 . . . . 72 HIS CD2 . 15513 1 417 . 1 1 36 36 HIS CE1 C 13 138.6 0.3 . 1 . . . . 72 HIS CE1 . 15513 1 418 . 1 1 36 36 HIS N N 15 117.4 0.3 . 1 . . . . 72 HIS N . 15513 1 419 . 1 1 37 37 LEU H H 1 8.30 0.02 . 1 . . . . 73 LEU H . 15513 1 420 . 1 1 37 37 LEU HA H 1 4.38 0.02 . 1 . . . . 73 LEU HA . 15513 1 421 . 1 1 37 37 LEU HB2 H 1 1.71 0.02 . 2 . . . . 73 LEU HB2 . 15513 1 422 . 1 1 37 37 LEU HB3 H 1 1.63 0.02 . 2 . . . . 73 LEU HB3 . 15513 1 423 . 1 1 37 37 LEU HD11 H 1 0.99 0.02 . 1 . . . . 73 LEU HD1 . 15513 1 424 . 1 1 37 37 LEU HD12 H 1 0.99 0.02 . 1 . . . . 73 LEU HD1 . 15513 1 425 . 1 1 37 37 LEU HD13 H 1 0.99 0.02 . 1 . . . . 73 LEU HD1 . 15513 1 426 . 1 1 37 37 LEU HD21 H 1 0.93 0.02 . 1 . . . . 73 LEU HD2 . 15513 1 427 . 1 1 37 37 LEU HD22 H 1 0.93 0.02 . 1 . . . . 73 LEU HD2 . 15513 1 428 . 1 1 37 37 LEU HD23 H 1 0.93 0.02 . 1 . . . . 73 LEU HD2 . 15513 1 429 . 1 1 37 37 LEU HG H 1 1.67 0.02 . 1 . . . . 73 LEU HG . 15513 1 430 . 1 1 37 37 LEU C C 13 178.2 0.3 . 1 . . . . 73 LEU C . 15513 1 431 . 1 1 37 37 LEU CA C 13 57.0 0.3 . 1 . . . . 73 LEU CA . 15513 1 432 . 1 1 37 37 LEU CB C 13 44.7 0.3 . 1 . . . . 73 LEU CB . 15513 1 433 . 1 1 37 37 LEU CD1 C 13 27.4 0.3 . 1 . . . . 73 LEU CD1 . 15513 1 434 . 1 1 37 37 LEU CD2 C 13 25.6 0.3 . 1 . . . . 73 LEU CD2 . 15513 1 435 . 1 1 37 37 LEU CG C 13 29.0 0.3 . 1 . . . . 73 LEU CG . 15513 1 436 . 1 1 37 37 LEU N N 15 121.4 0.3 . 1 . . . . 73 LEU N . 15513 1 437 . 1 1 38 38 ALA H H 1 8.29 0.02 . 1 . . . . 74 ALA H . 15513 1 438 . 1 1 38 38 ALA HA H 1 4.35 0.02 . 1 . . . . 74 ALA HA . 15513 1 439 . 1 1 38 38 ALA HB1 H 1 1.03 0.02 . 1 . . . . 74 ALA HB . 15513 1 440 . 1 1 38 38 ALA HB2 H 1 1.03 0.02 . 1 . . . . 74 ALA HB . 15513 1 441 . 1 1 38 38 ALA HB3 H 1 1.03 0.02 . 1 . . . . 74 ALA HB . 15513 1 442 . 1 1 38 38 ALA CA C 13 52.2 0.3 . 1 . . . . 74 ALA CA . 15513 1 443 . 1 1 38 38 ALA CB C 13 19.9 0.3 . 1 . . . . 74 ALA CB . 15513 1 444 . 1 1 38 38 ALA N N 15 123.8 0.3 . 1 . . . . 74 ALA N . 15513 1 445 . 1 1 39 39 PRO HA H 1 4.39 0.02 . 1 . . . . 75 PRO HA . 15513 1 446 . 1 1 39 39 PRO HB2 H 1 2.22 0.02 . 2 . . . . 75 PRO HB2 . 15513 1 447 . 1 1 39 39 PRO HB3 H 1 1.83 0.02 . 2 . . . . 75 PRO HB3 . 15513 1 448 . 1 1 39 39 PRO HD2 H 1 3.68 0.02 . 2 . . . . 75 PRO HD2 . 15513 1 449 . 1 1 39 39 PRO HD3 H 1 3.24 0.02 . 2 . . . . 75 PRO HD3 . 15513 1 450 . 1 1 39 39 PRO HG2 H 1 1.94 0.02 . 2 . . . . 75 PRO HG2 . 15513 1 451 . 1 1 39 39 PRO HG3 H 1 1.85 0.02 . 2 . . . . 75 PRO HG3 . 15513 1 452 . 1 1 39 39 PRO C C 13 178.1 0.3 . 1 . . . . 75 PRO C . 15513 1 453 . 1 1 39 39 PRO CA C 13 65.6 0.3 . 1 . . . . 75 PRO CA . 15513 1 454 . 1 1 39 39 PRO CB C 13 33.4 0.3 . 1 . . . . 75 PRO CB . 15513 1 455 . 1 1 39 39 PRO CD C 13 51.9 0.3 . 1 . . . . 75 PRO CD . 15513 1 456 . 1 1 39 39 PRO CG C 13 29.3 0.3 . 1 . . . . 75 PRO CG . 15513 1 457 . 1 1 40 40 TRP H H 1 7.34 0.02 . 1 . . . . 76 TRP H . 15513 1 458 . 1 1 40 40 TRP HA H 1 4.78 0.02 . 1 . . . . 76 TRP HA . 15513 1 459 . 1 1 40 40 TRP HB2 H 1 3.38 0.02 . 2 . . . . 76 TRP HB2 . 15513 1 460 . 1 1 40 40 TRP HB3 H 1 3.37 0.02 . 2 . . . . 76 TRP HB3 . 15513 1 461 . 1 1 40 40 TRP HD1 H 1 7.33 0.02 . 1 . . . . 76 TRP HD1 . 15513 1 462 . 1 1 40 40 TRP HE1 H 1 10.64 0.02 . 1 . . . . 76 TRP HE1 . 15513 1 463 . 1 1 40 40 TRP HE3 H 1 7.67 0.02 . 1 . . . . 76 TRP HE3 . 15513 1 464 . 1 1 40 40 TRP HH2 H 1 7.23 0.02 . 1 . . . . 76 TRP HH2 . 15513 1 465 . 1 1 40 40 TRP HZ2 H 1 7.56 0.02 . 1 . . . . 76 TRP HZ2 . 15513 1 466 . 1 1 40 40 TRP HZ3 H 1 7.15 0.02 . 1 . . . . 76 TRP HZ3 . 15513 1 467 . 1 1 40 40 TRP C C 13 177.4 0.3 . 1 . . . . 76 TRP C . 15513 1 468 . 1 1 40 40 TRP CA C 13 58.7 0.3 . 1 . . . . 76 TRP CA . 15513 1 469 . 1 1 40 40 TRP CB C 13 31.1 0.3 . 1 . . . . 76 TRP CB . 15513 1 470 . 1 1 40 40 TRP CD1 C 13 129.2 0.3 . 1 . . . . 76 TRP CD1 . 15513 1 471 . 1 1 40 40 TRP CE3 C 13 122.5 0.3 . 1 . . . . 76 TRP CE3 . 15513 1 472 . 1 1 40 40 TRP CH2 C 13 126.2 0.3 . 1 . . . . 76 TRP CH2 . 15513 1 473 . 1 1 40 40 TRP CZ2 C 13 116.9 0.3 . 1 . . . . 76 TRP CZ2 . 15513 1 474 . 1 1 40 40 TRP CZ3 C 13 123.7 0.3 . 1 . . . . 76 TRP CZ3 . 15513 1 475 . 1 1 40 40 TRP N N 15 116.1 0.3 . 1 . . . . 76 TRP N . 15513 1 476 . 1 1 40 40 TRP NE1 N 15 131.5 0.3 . 1 . . . . 76 TRP NE1 . 15513 1 477 . 1 1 41 41 ASP H H 1 8.13 0.02 . 1 . . . . 77 ASP H . 15513 1 478 . 1 1 41 41 ASP HA H 1 4.78 0.02 . 1 . . . . 77 ASP HA . 15513 1 479 . 1 1 41 41 ASP HB2 H 1 2.80 0.02 . 2 . . . . 77 ASP HB2 . 15513 1 480 . 1 1 41 41 ASP HB3 H 1 2.61 0.02 . 2 . . . . 77 ASP HB3 . 15513 1 481 . 1 1 41 41 ASP C C 13 178.1 0.3 . 1 . . . . 77 ASP C . 15513 1 482 . 1 1 41 41 ASP CA C 13 55.8 0.3 . 1 . . . . 77 ASP CA . 15513 1 483 . 1 1 41 41 ASP CB C 13 43.3 0.3 . 1 . . . . 77 ASP CB . 15513 1 484 . 1 1 41 41 ASP N N 15 121.9 0.3 . 1 . . . . 77 ASP N . 15513 1 485 . 1 1 42 42 VAL H H 1 8.05 0.02 . 1 . . . . 78 VAL H . 15513 1 486 . 1 1 42 42 VAL HA H 1 4.21 0.02 . 1 . . . . 78 VAL HA . 15513 1 487 . 1 1 42 42 VAL HB H 1 2.24 0.02 . 1 . . . . 78 VAL HB . 15513 1 488 . 1 1 42 42 VAL HG11 H 1 1.02 0.02 . 1 . . . . 78 VAL HG1 . 15513 1 489 . 1 1 42 42 VAL HG12 H 1 1.02 0.02 . 1 . . . . 78 VAL HG1 . 15513 1 490 . 1 1 42 42 VAL HG13 H 1 1.02 0.02 . 1 . . . . 78 VAL HG1 . 15513 1 491 . 1 1 42 42 VAL HG21 H 1 1.02 0.02 . 1 . . . . 78 VAL HG2 . 15513 1 492 . 1 1 42 42 VAL HG22 H 1 1.02 0.02 . 1 . . . . 78 VAL HG2 . 15513 1 493 . 1 1 42 42 VAL HG23 H 1 1.02 0.02 . 1 . . . . 78 VAL HG2 . 15513 1 494 . 1 1 42 42 VAL C C 13 177.9 0.3 . 1 . . . . 78 VAL C . 15513 1 495 . 1 1 42 42 VAL CA C 13 64.1 0.3 . 1 . . . . 78 VAL CA . 15513 1 496 . 1 1 42 42 VAL CB C 13 34.7 0.3 . 1 . . . . 78 VAL CB . 15513 1 497 . 1 1 42 42 VAL CG1 C 13 23.4 0.3 . 1 . . . . 78 VAL CG1 . 15513 1 498 . 1 1 42 42 VAL CG2 C 13 22.2 0.3 . 1 . . . . 78 VAL CG2 . 15513 1 499 . 1 1 42 42 VAL N N 15 118.7 0.3 . 1 . . . . 78 VAL N . 15513 1 500 . 1 1 43 43 ASP H H 1 8.42 0.02 . 1 . . . . 79 ASP H . 15513 1 501 . 1 1 43 43 ASP HA H 1 4.70 0.02 . 1 . . . . 79 ASP HA . 15513 1 502 . 1 1 43 43 ASP HB2 H 1 2.78 0.02 . 2 . . . . 79 ASP HB2 . 15513 1 503 . 1 1 43 43 ASP HB3 H 1 2.70 0.02 . 2 . . . . 79 ASP HB3 . 15513 1 504 . 1 1 43 43 ASP C C 13 177.9 0.3 . 1 . . . . 79 ASP C . 15513 1 505 . 1 1 43 43 ASP CA C 13 56.5 0.3 . 1 . . . . 79 ASP CA . 15513 1 506 . 1 1 43 43 ASP CB C 13 43.0 0.3 . 1 . . . . 79 ASP CB . 15513 1 507 . 1 1 43 43 ASP N N 15 122.6 0.3 . 1 . . . . 79 ASP N . 15513 1 508 . 1 1 44 44 ASP H H 1 8.27 0.02 . 1 . . . . 80 ASP H . 15513 1 509 . 1 1 44 44 ASP HA H 1 4.72 0.02 . 1 . . . . 80 ASP HA . 15513 1 510 . 1 1 44 44 ASP HB2 H 1 2.77 0.02 . 2 . . . . 80 ASP HB2 . 15513 1 511 . 1 1 44 44 ASP HB3 H 1 2.70 0.02 . 2 . . . . 80 ASP HB3 . 15513 1 512 . 1 1 44 44 ASP C C 13 177.2 0.3 . 1 . . . . 80 ASP C . 15513 1 513 . 1 1 44 44 ASP CA C 13 56.5 0.3 . 1 . . . . 80 ASP CA . 15513 1 514 . 1 1 44 44 ASP CB C 13 43.1 0.3 . 1 . . . . 80 ASP CB . 15513 1 515 . 1 1 44 44 ASP N N 15 120.4 0.3 . 1 . . . . 80 ASP N . 15513 1 516 . 1 1 45 45 LEU H H 1 7.75 0.02 . 1 . . . . 81 LEU H . 15513 1 517 . 1 1 45 45 LEU HA H 1 4.23 0.02 . 1 . . . . 81 LEU HA . 15513 1 518 . 1 1 45 45 LEU HB2 H 1 1.72 0.02 . 2 . . . . 81 LEU HB2 . 15513 1 519 . 1 1 45 45 LEU HB3 H 1 1.65 0.02 . 2 . . . . 81 LEU HB3 . 15513 1 520 . 1 1 45 45 LEU HD11 H 1 0.99 0.02 . 1 . . . . 81 LEU HD1 . 15513 1 521 . 1 1 45 45 LEU HD12 H 1 0.99 0.02 . 1 . . . . 81 LEU HD1 . 15513 1 522 . 1 1 45 45 LEU HD13 H 1 0.99 0.02 . 1 . . . . 81 LEU HD1 . 15513 1 523 . 1 1 45 45 LEU HD21 H 1 0.93 0.02 . 1 . . . . 81 LEU HD2 . 15513 1 524 . 1 1 45 45 LEU HD22 H 1 0.93 0.02 . 1 . . . . 81 LEU HD2 . 15513 1 525 . 1 1 45 45 LEU HD23 H 1 0.93 0.02 . 1 . . . . 81 LEU HD2 . 15513 1 526 . 1 1 45 45 LEU HG H 1 1.72 0.02 . 1 . . . . 81 LEU HG . 15513 1 527 . 1 1 45 45 LEU CA C 13 58.5 0.3 . 1 . . . . 81 LEU CA . 15513 1 528 . 1 1 45 45 LEU CB C 13 45.3 0.3 . 1 . . . . 81 LEU CB . 15513 1 529 . 1 1 45 45 LEU CD1 C 13 27.3 0.3 . 1 . . . . 81 LEU CD1 . 15513 1 530 . 1 1 45 45 LEU CD2 C 13 25.6 0.3 . 1 . . . . 81 LEU CD2 . 15513 1 531 . 1 1 45 45 LEU CG C 13 29.2 0.3 . 1 . . . . 81 LEU CG . 15513 1 532 . 1 1 45 45 LEU N N 15 127.0 0.3 . 1 . . . . 81 LEU N . 15513 1 stop_ save_