data_19830 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19830 _Entry.Title ; Structural and biochemical characterization of Jaburetox ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-03-04 _Entry.Accession_date 2014-03-04 _Entry.Last_release_date 2015-01-20 _Entry.Original_release_date 2015-01-20 _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 Olena Dobrovolska . . . 19830 2 Fernanda Lopez . . . 19830 3 Stefano Ciurli . . . 19830 4 Barbara Zambelli . . . 19830 5 Celia Carlini . . . 19830 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19830 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 297 19830 '15N chemical shifts' 84 19830 '1H chemical shifts' 487 19830 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 . . 2015-01-20 2014-03-04 original author . 19830 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19830 _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 '1H, 13C, 15N resonance assignments of reduced Jaburetox' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev FEBS _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 Olena Dobrovolska . . . 19830 1 2 Fernanda Lopez . . . 19830 1 3 Barbara Zambelli . . . 19830 1 4 Celia Carlini . . . 19830 1 5 Stefano Ciurli . . . 19830 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19830 _Assembly.ID 1 _Assembly.Name 'reduced Jaburetox' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Jaburetox 1 $Jbtx A . yes native no no . . . 19830 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Jbtx _Entity.Sf_category entity _Entity.Sf_framecode Jbtx _Entity.Entry_ID 19830 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Jbtx _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 ; MGPVNEANCKAAMEIVCRRE FGHKEEEDASEGVTTGDPDC PFTKAIPREEYANKYGPTIG DKIRLGDTDLIAEIEKDFAL YGDESVFGGGKVI ; _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 93 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2MM8 . "Structural And Biochemical Characterization Of Jaburetox" . . . . . 100.00 99 100.00 100.00 5.41e-60 . . . . 19830 1 2 no GB AAN08919 . "urease JBURE-II [Canavalia ensiformis]" . . . . . 98.92 725 98.91 100.00 4.57e-54 . . . . 19830 1 3 no GB ACL14297 . "urease JBURE-IIB [Canavalia ensiformis]" . . . . . 98.92 840 100.00 100.00 7.22e-55 . . . . 19830 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 1 MET . 19830 1 2 2 GLY . 19830 1 3 3 PRO . 19830 1 4 4 VAL . 19830 1 5 5 ASN . 19830 1 6 6 GLU . 19830 1 7 7 ALA . 19830 1 8 8 ASN . 19830 1 9 9 CYS . 19830 1 10 10 LYS . 19830 1 11 11 ALA . 19830 1 12 12 ALA . 19830 1 13 13 MET . 19830 1 14 14 GLU . 19830 1 15 15 ILE . 19830 1 16 16 VAL . 19830 1 17 17 CYS . 19830 1 18 18 ARG . 19830 1 19 19 ARG . 19830 1 20 20 GLU . 19830 1 21 21 PHE . 19830 1 22 22 GLY . 19830 1 23 23 HIS . 19830 1 24 24 LYS . 19830 1 25 25 GLU . 19830 1 26 26 GLU . 19830 1 27 27 GLU . 19830 1 28 28 ASP . 19830 1 29 29 ALA . 19830 1 30 30 SER . 19830 1 31 31 GLU . 19830 1 32 32 GLY . 19830 1 33 33 VAL . 19830 1 34 34 THR . 19830 1 35 35 THR . 19830 1 36 36 GLY . 19830 1 37 37 ASP . 19830 1 38 38 PRO . 19830 1 39 39 ASP . 19830 1 40 40 CYS . 19830 1 41 41 PRO . 19830 1 42 42 PHE . 19830 1 43 43 THR . 19830 1 44 44 LYS . 19830 1 45 45 ALA . 19830 1 46 46 ILE . 19830 1 47 47 PRO . 19830 1 48 48 ARG . 19830 1 49 49 GLU . 19830 1 50 50 GLU . 19830 1 51 51 TYR . 19830 1 52 52 ALA . 19830 1 53 53 ASN . 19830 1 54 54 LYS . 19830 1 55 55 TYR . 19830 1 56 56 GLY . 19830 1 57 57 PRO . 19830 1 58 58 THR . 19830 1 59 59 ILE . 19830 1 60 60 GLY . 19830 1 61 61 ASP . 19830 1 62 62 LYS . 19830 1 63 63 ILE . 19830 1 64 64 ARG . 19830 1 65 65 LEU . 19830 1 66 66 GLY . 19830 1 67 67 ASP . 19830 1 68 68 THR . 19830 1 69 69 ASP . 19830 1 70 70 LEU . 19830 1 71 71 ILE . 19830 1 72 72 ALA . 19830 1 73 73 GLU . 19830 1 74 74 ILE . 19830 1 75 75 GLU . 19830 1 76 76 LYS . 19830 1 77 77 ASP . 19830 1 78 78 PHE . 19830 1 79 79 ALA . 19830 1 80 80 LEU . 19830 1 81 81 TYR . 19830 1 82 82 GLY . 19830 1 83 83 ASP . 19830 1 84 84 GLU . 19830 1 85 85 SER . 19830 1 86 86 VAL . 19830 1 87 87 PHE . 19830 1 88 88 GLY . 19830 1 89 89 GLY . 19830 1 90 90 GLY . 19830 1 91 91 LYS . 19830 1 92 92 VAL . 19830 1 93 93 ILE . 19830 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 19830 1 . GLY 2 2 19830 1 . PRO 3 3 19830 1 . VAL 4 4 19830 1 . ASN 5 5 19830 1 . GLU 6 6 19830 1 . ALA 7 7 19830 1 . ASN 8 8 19830 1 . CYS 9 9 19830 1 . LYS 10 10 19830 1 . ALA 11 11 19830 1 . ALA 12 12 19830 1 . MET 13 13 19830 1 . GLU 14 14 19830 1 . ILE 15 15 19830 1 . VAL 16 16 19830 1 . CYS 17 17 19830 1 . ARG 18 18 19830 1 . ARG 19 19 19830 1 . GLU 20 20 19830 1 . PHE 21 21 19830 1 . GLY 22 22 19830 1 . HIS 23 23 19830 1 . LYS 24 24 19830 1 . GLU 25 25 19830 1 . GLU 26 26 19830 1 . GLU 27 27 19830 1 . ASP 28 28 19830 1 . ALA 29 29 19830 1 . SER 30 30 19830 1 . GLU 31 31 19830 1 . GLY 32 32 19830 1 . VAL 33 33 19830 1 . THR 34 34 19830 1 . THR 35 35 19830 1 . GLY 36 36 19830 1 . ASP 37 37 19830 1 . PRO 38 38 19830 1 . ASP 39 39 19830 1 . CYS 40 40 19830 1 . PRO 41 41 19830 1 . PHE 42 42 19830 1 . THR 43 43 19830 1 . LYS 44 44 19830 1 . ALA 45 45 19830 1 . ILE 46 46 19830 1 . PRO 47 47 19830 1 . ARG 48 48 19830 1 . GLU 49 49 19830 1 . GLU 50 50 19830 1 . TYR 51 51 19830 1 . ALA 52 52 19830 1 . ASN 53 53 19830 1 . LYS 54 54 19830 1 . TYR 55 55 19830 1 . GLY 56 56 19830 1 . PRO 57 57 19830 1 . THR 58 58 19830 1 . ILE 59 59 19830 1 . GLY 60 60 19830 1 . ASP 61 61 19830 1 . LYS 62 62 19830 1 . ILE 63 63 19830 1 . ARG 64 64 19830 1 . LEU 65 65 19830 1 . GLY 66 66 19830 1 . ASP 67 67 19830 1 . THR 68 68 19830 1 . ASP 69 69 19830 1 . LEU 70 70 19830 1 . ILE 71 71 19830 1 . ALA 72 72 19830 1 . GLU 73 73 19830 1 . ILE 74 74 19830 1 . GLU 75 75 19830 1 . LYS 76 76 19830 1 . ASP 77 77 19830 1 . PHE 78 78 19830 1 . ALA 79 79 19830 1 . LEU 80 80 19830 1 . TYR 81 81 19830 1 . GLY 82 82 19830 1 . ASP 83 83 19830 1 . GLU 84 84 19830 1 . SER 85 85 19830 1 . VAL 86 86 19830 1 . PHE 87 87 19830 1 . GLY 88 88 19830 1 . GLY 89 89 19830 1 . GLY 90 90 19830 1 . LYS 91 91 19830 1 . VAL 92 92 19830 1 . ILE 93 93 19830 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 19830 _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 $Jbtx . 3823 plant . 'Canavalia ensiformis' 'jack bean' . . Eukaryota Viridiplantae Canavalia ensiformis . . . . . . . . . . . . . . . . JBURE-II . 'Cloning was based in a fragment of the gene JBURE-II (Genbank Accession number AF468788)' . . 19830 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 19830 _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 $Jbtx . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . pET-23a . . . . . . 19830 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19830 _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 Jbtx '[U-99% 13C; U-99% 15N]' . . 1 $Jbtx . . 1 . . mM . . . . 19830 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19830 1 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 19830 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 19830 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19830 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19830 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 19830 _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 pH 6.5 . pH 19830 1 pressure 1 . atm 19830 1 temperature 298 . K 19830 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19830 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19830 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19830 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 19830 _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 19830 _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 . . . 19830 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 19830 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19830 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19830 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19830 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19830 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19830 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19830 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19830 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19830 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19830 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19830 1 11 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19830 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 19830 _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 water 'methyl carbons' . . . . ppm 4.73 internal indirect 0.2514 . . . . . . . . . 19830 1 H 1 water protons . . . . ppm 4.73 internal direct 1.0000 . . . . . . . . . 19830 1 N 15 water nitrogen . . . . ppm 4.73 internal indirect 0.101 . . . . . . . . . 19830 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 19830 _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' . . . 19830 1 2 '3D HNCO' . . . 19830 1 3 '3D HNCA' . . . 19830 1 7 '3D HNCACB' . . . 19830 1 8 '3D CBCA(CO)NH' . . . 19830 1 9 '3D 1H-15N TOCSY' . . . 19830 1 10 '3D HCCH-TOCSY' . . . 19830 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 4 4 VAL H H 1 8.194 0.020 . 1 . . . . 4 VAL H . 19830 1 2 . 1 1 4 4 VAL HA H 1 3.966 0.020 . 1 . . . . 4 VAL HA . 19830 1 3 . 1 1 4 4 VAL HB H 1 1.942 0.020 . 1 . . . . 4 VAL HB . 19830 1 4 . 1 1 4 4 VAL HG11 H 1 0.833 0.020 . 2 . . . . 4 VAL HG1 . 19830 1 5 . 1 1 4 4 VAL HG12 H 1 0.833 0.020 . 2 . . . . 4 VAL HG1 . 19830 1 6 . 1 1 4 4 VAL HG13 H 1 0.833 0.020 . 2 . . . . 4 VAL HG1 . 19830 1 7 . 1 1 4 4 VAL HG21 H 1 0.627 0.020 . 2 . . . . 4 VAL HG2 . 19830 1 8 . 1 1 4 4 VAL HG22 H 1 0.627 0.020 . 2 . . . . 4 VAL HG2 . 19830 1 9 . 1 1 4 4 VAL HG23 H 1 0.627 0.020 . 2 . . . . 4 VAL HG2 . 19830 1 10 . 1 1 4 4 VAL C C 13 173.253 0.3 . 1 . . . . 4 VAL C . 19830 1 11 . 1 1 4 4 VAL CA C 13 59.643 0.3 . 1 . . . . 4 VAL CA . 19830 1 12 . 1 1 4 4 VAL CB C 13 29.568 0.3 . 1 . . . . 4 VAL CB . 19830 1 13 . 1 1 4 4 VAL CG1 C 13 17.920 0.3 . 1 . . . . 4 VAL CG1 . 19830 1 14 . 1 1 4 4 VAL CG2 C 13 17.384 0.3 . 1 . . . . 4 VAL CG2 . 19830 1 15 . 1 1 4 4 VAL N N 15 120.310 0.3 . 1 . . . . 4 VAL N . 19830 1 16 . 1 1 5 5 ASN H H 1 8.431 0.020 . 1 . . . . 5 ASN H . 19830 1 17 . 1 1 5 5 ASN HA H 1 4.611 0.020 . 1 . . . . 5 ASN HA . 19830 1 18 . 1 1 5 5 ASN HB2 H 1 2.766 0.020 . 2 . . . . 5 ASN HB2 . 19830 1 19 . 1 1 5 5 ASN HB3 H 1 2.697 0.020 . 2 . . . . 5 ASN HB3 . 19830 1 20 . 1 1 5 5 ASN C C 13 172.528 0.3 . 1 . . . . 5 ASN C . 19830 1 21 . 1 1 5 5 ASN CA C 13 50.369 0.3 . 1 . . . . 5 ASN CA . 19830 1 22 . 1 1 5 5 ASN CB C 13 35.835 0.3 . 1 . . . . 5 ASN CB . 19830 1 23 . 1 1 5 5 ASN N N 15 122.244 0.3 . 1 . . . . 5 ASN N . 19830 1 24 . 1 1 6 6 GLU H H 1 8.386 0.020 . 1 . . . . 6 GLU H . 19830 1 25 . 1 1 6 6 GLU HA H 1 4.132 0.020 . 1 . . . . 6 GLU HA . 19830 1 26 . 1 1 6 6 GLU HB2 H 1 1.941 0.020 . 2 . . . . 6 GLU HB2 . 19830 1 27 . 1 1 6 6 GLU HB3 H 1 1.832 0.020 . 2 . . . . 6 GLU HB3 . 19830 1 28 . 1 1 6 6 GLU CA C 13 54.181 0.3 . 1 . . . . 6 GLU CA . 19830 1 29 . 1 1 6 6 GLU CB C 13 27.142 0.3 . 1 . . . . 6 GLU CB . 19830 1 30 . 1 1 6 6 GLU N N 15 122.100 0.3 . 1 . . . . 6 GLU N . 19830 1 31 . 1 1 7 7 ALA H H 1 8.223 0.020 . 1 . . . . 7 ALA H . 19830 1 32 . 1 1 7 7 ALA HA H 1 4.131 0.020 . 1 . . . . 7 ALA HA . 19830 1 33 . 1 1 7 7 ALA HB1 H 1 1.284 0.020 . 1 . . . . 7 ALA HB . 19830 1 34 . 1 1 7 7 ALA HB2 H 1 1.284 0.020 . 1 . . . . 7 ALA HB . 19830 1 35 . 1 1 7 7 ALA HB3 H 1 1.284 0.020 . 1 . . . . 7 ALA HB . 19830 1 36 . 1 1 7 7 ALA C C 13 175.193 0.3 . 1 . . . . 7 ALA C . 19830 1 37 . 1 1 7 7 ALA CA C 13 50.037 0.3 . 1 . . . . 7 ALA CA . 19830 1 38 . 1 1 7 7 ALA CB C 13 15.925 0.3 . 1 . . . . 7 ALA CB . 19830 1 39 . 1 1 7 7 ALA N N 15 123.889 0.3 . 1 . . . . 7 ALA N . 19830 1 40 . 1 1 8 8 ASN H H 1 8.229 0.020 . 1 . . . . 8 ASN H . 19830 1 41 . 1 1 8 8 ASN HA H 1 4.569 0.020 . 1 . . . . 8 ASN HA . 19830 1 42 . 1 1 8 8 ASN HB2 H 1 2.760 0.020 . 2 . . . . 8 ASN HB2 . 19830 1 43 . 1 1 8 8 ASN HB3 H 1 2.677 0.020 . 2 . . . . 8 ASN HB3 . 19830 1 44 . 1 1 8 8 ASN C C 13 172.677 0.3 . 1 . . . . 8 ASN C . 19830 1 45 . 1 1 8 8 ASN CA C 13 50.394 0.3 . 1 . . . . 8 ASN CA . 19830 1 46 . 1 1 8 8 ASN CB C 13 35.369 0.3 . 1 . . . . 8 ASN CB . 19830 1 47 . 1 1 8 8 ASN N N 15 116.986 0.3 . 1 . . . . 8 ASN N . 19830 1 48 . 1 1 9 9 CYS H H 1 8.081 0.020 . 1 . . . . 9 CYS H . 19830 1 49 . 1 1 9 9 CYS HA H 1 4.352 0.020 . 1 . . . . 9 CYS HA . 19830 1 50 . 1 1 9 9 CYS HB2 H 1 2.825 0.020 . 1 . . . . 9 CYS HB2 . 19830 1 51 . 1 1 9 9 CYS HB3 H 1 2.825 0.020 . 1 . . . . 9 CYS HB3 . 19830 1 52 . 1 1 9 9 CYS C C 13 172.102 0.3 . 1 . . . . 9 CYS C . 19830 1 53 . 1 1 9 9 CYS CA C 13 55.901 0.3 . 1 . . . . 9 CYS CA . 19830 1 54 . 1 1 9 9 CYS CB C 13 24.285 0.3 . 1 . . . . 9 CYS CB . 19830 1 55 . 1 1 9 9 CYS N N 15 119.166 0.3 . 1 . . . . 9 CYS N . 19830 1 56 . 1 1 10 10 LYS H H 1 8.255 0.020 . 1 . . . . 10 LYS H . 19830 1 57 . 1 1 10 10 LYS HA H 1 4.127 0.020 . 1 . . . . 10 LYS HA . 19830 1 58 . 1 1 10 10 LYS HB2 H 1 1.723 0.020 . 2 . . . . 10 LYS HB2 . 19830 1 59 . 1 1 10 10 LYS HB3 H 1 1.688 0.020 . 2 . . . . 10 LYS HB3 . 19830 1 60 . 1 1 10 10 LYS HG2 H 1 1.306 0.020 . 2 . . . . 10 LYS HG2 . 19830 1 61 . 1 1 10 10 LYS HG3 H 1 1.244 0.020 . 2 . . . . 10 LYS HG3 . 19830 1 62 . 1 1 10 10 LYS HD2 H 1 1.581 0.020 . 2 . . . . 10 LYS HD2 . 19830 1 63 . 1 1 10 10 LYS HD3 H 1 1.541 0.020 . 2 . . . . 10 LYS HD3 . 19830 1 64 . 1 1 10 10 LYS HE2 H 1 2.890 0.020 . 2 . . . . 10 LYS HE2 . 19830 1 65 . 1 1 10 10 LYS HE3 H 1 2.846 0.020 . 2 . . . . 10 LYS HE3 . 19830 1 66 . 1 1 10 10 LYS C C 13 173.539 0.3 . 1 . . . . 10 LYS C . 19830 1 67 . 1 1 10 10 LYS CA C 13 54.113 0.3 . 1 . . . . 10 LYS CA . 19830 1 68 . 1 1 10 10 LYS CB C 13 29.552 0.3 . 1 . . . . 10 LYS CB . 19830 1 69 . 1 1 10 10 LYS CG C 13 21.455 0.3 . 1 . . . . 10 LYS CG . 19830 1 70 . 1 1 10 10 LYS CD C 13 26.121 0.3 . 1 . . . . 10 LYS CD . 19830 1 71 . 1 1 10 10 LYS CE C 13 39.292 0.3 . 1 . . . . 10 LYS CE . 19830 1 72 . 1 1 10 10 LYS N N 15 123.406 0.3 . 1 . . . . 10 LYS N . 19830 1 73 . 1 1 11 11 ALA H H 1 8.125 0.020 . 1 . . . . 11 ALA H . 19830 1 74 . 1 1 11 11 ALA HA H 1 4.131 0.020 . 1 . . . . 11 ALA HA . 19830 1 75 . 1 1 11 11 ALA HB1 H 1 1.241 0.020 . 1 . . . . 11 ALA HB . 19830 1 76 . 1 1 11 11 ALA HB2 H 1 1.241 0.020 . 1 . . . . 11 ALA HB . 19830 1 77 . 1 1 11 11 ALA HB3 H 1 1.241 0.020 . 1 . . . . 11 ALA HB . 19830 1 78 . 1 1 11 11 ALA C C 13 174.985 0.3 . 1 . . . . 11 ALA C . 19830 1 79 . 1 1 11 11 ALA CA C 13 50.026 0.3 . 1 . . . . 11 ALA CA . 19830 1 80 . 1 1 11 11 ALA CB C 13 15.999 0.3 . 1 . . . . 11 ALA CB . 19830 1 81 . 1 1 11 11 ALA N N 15 124.353 0.3 . 1 . . . . 11 ALA N . 19830 1 82 . 1 1 12 12 ALA H H 1 8.069 0.020 . 1 . . . . 12 ALA H . 19830 1 83 . 1 1 12 12 ALA HA H 1 4.130 0.020 . 1 . . . . 12 ALA HA . 19830 1 84 . 1 1 12 12 ALA HB1 H 1 1.285 0.020 . 1 . . . . 12 ALA HB . 19830 1 85 . 1 1 12 12 ALA HB2 H 1 1.285 0.020 . 1 . . . . 12 ALA HB . 19830 1 86 . 1 1 12 12 ALA HB3 H 1 1.285 0.020 . 1 . . . . 12 ALA HB . 19830 1 87 . 1 1 12 12 ALA C C 13 175.268 0.3 . 1 . . . . 12 ALA C . 19830 1 88 . 1 1 12 12 ALA CA C 13 49.842 0.3 . 1 . . . . 12 ALA CA . 19830 1 89 . 1 1 12 12 ALA CB C 13 16.014 0.3 . 1 . . . . 12 ALA CB . 19830 1 90 . 1 1 12 12 ALA N N 15 122.506 0.3 . 1 . . . . 12 ALA N . 19830 1 91 . 1 1 13 13 MET H H 1 8.081 0.020 . 1 . . . . 13 MET H . 19830 1 92 . 1 1 13 13 MET HA H 1 4.319 0.020 . 1 . . . . 13 MET HA . 19830 1 93 . 1 1 13 13 MET HB2 H 1 1.937 0.020 . 1 . . . . 13 MET HB2 . 19830 1 94 . 1 1 13 13 MET HB3 H 1 1.937 0.020 . 1 . . . . 13 MET HB3 . 19830 1 95 . 1 1 13 13 MET HG2 H 1 2.521 0.020 . 2 . . . . 13 MET HG2 . 19830 1 96 . 1 1 13 13 MET HG3 H 1 2.452 0.020 . 2 . . . . 13 MET HG3 . 19830 1 97 . 1 1 13 13 MET C C 13 173.552 0.3 . 1 . . . . 13 MET C . 19830 1 98 . 1 1 13 13 MET CA C 13 52.812 0.3 . 1 . . . . 13 MET CA . 19830 1 99 . 1 1 13 13 MET CB C 13 29.946 0.3 . 1 . . . . 13 MET CB . 19830 1 100 . 1 1 13 13 MET CG C 13 28.450 0.3 . 1 . . . . 13 MET CG . 19830 1 101 . 1 1 13 13 MET N N 15 118.691 0.3 . 1 . . . . 13 MET N . 19830 1 102 . 1 1 14 14 GLU H H 1 8.214 0.020 . 1 . . . . 14 GLU H . 19830 1 103 . 1 1 14 14 GLU HA H 1 4.130 0.020 . 1 . . . . 14 GLU HA . 19830 1 104 . 1 1 14 14 GLU HB2 H 1 1.887 0.020 . 2 . . . . 14 GLU HB2 . 19830 1 105 . 1 1 14 14 GLU HB3 H 1 1.749 0.020 . 2 . . . . 14 GLU HB3 . 19830 1 106 . 1 1 14 14 GLU HG2 H 1 2.112 0.020 . 2 . . . . 14 GLU HG2 . 19830 1 107 . 1 1 14 14 GLU HG3 H 1 2.029 0.020 . 2 . . . . 14 GLU HG3 . 19830 1 108 . 1 1 14 14 GLU C C 13 173.689 0.3 . 1 . . . . 14 GLU C . 19830 1 109 . 1 1 14 14 GLU CA C 13 53.841 0.3 . 1 . . . . 14 GLU CA . 19830 1 110 . 1 1 14 14 GLU CB C 13 27.131 0.3 . 1 . . . . 14 GLU CB . 19830 1 111 . 1 1 14 14 GLU CG C 13 33.337 0.3 . 1 . . . . 14 GLU CG . 19830 1 112 . 1 1 14 14 GLU N N 15 121.648 0.3 . 1 . . . . 14 GLU N . 19830 1 113 . 1 1 15 15 ILE H H 1 8.019 0.020 . 1 . . . . 15 ILE H . 19830 1 114 . 1 1 15 15 ILE HA H 1 4.016 0.020 . 1 . . . . 15 ILE HA . 19830 1 115 . 1 1 15 15 ILE HB H 1 1.767 0.020 . 1 . . . . 15 ILE HB . 19830 1 116 . 1 1 15 15 ILE HG12 H 1 1.375 0.020 . 1 . . . . 15 ILE HG12 . 19830 1 117 . 1 1 15 15 ILE HG13 H 1 1.375 0.020 . 1 . . . . 15 ILE HG13 . 19830 1 118 . 1 1 15 15 ILE HG21 H 1 0.776 0.020 . 1 . . . . 15 ILE HG2 . 19830 1 119 . 1 1 15 15 ILE HG22 H 1 0.776 0.020 . 1 . . . . 15 ILE HG2 . 19830 1 120 . 1 1 15 15 ILE HG23 H 1 0.776 0.020 . 1 . . . . 15 ILE HG2 . 19830 1 121 . 1 1 15 15 ILE HD11 H 1 0.728 0.020 . 1 . . . . 15 ILE HD1 . 19830 1 122 . 1 1 15 15 ILE HD12 H 1 0.728 0.020 . 1 . . . . 15 ILE HD1 . 19830 1 123 . 1 1 15 15 ILE HD13 H 1 0.728 0.020 . 1 . . . . 15 ILE HD1 . 19830 1 124 . 1 1 15 15 ILE C C 13 173.683 0.3 . 1 . . . . 15 ILE C . 19830 1 125 . 1 1 15 15 ILE CA C 13 58.643 0.3 . 1 . . . . 15 ILE CA . 19830 1 126 . 1 1 15 15 ILE CB C 13 35.372 0.3 . 1 . . . . 15 ILE CB . 19830 1 127 . 1 1 15 15 ILE CG1 C 13 24.438 0.3 . 1 . . . . 15 ILE CG1 . 19830 1 128 . 1 1 15 15 ILE CG2 C 13 14.314 0.3 . 1 . . . . 15 ILE CG2 . 19830 1 129 . 1 1 15 15 ILE CD1 C 13 9.572 0.3 . 1 . . . . 15 ILE CD1 . 19830 1 130 . 1 1 15 15 ILE N N 15 121.890 0.3 . 1 . . . . 15 ILE N . 19830 1 131 . 1 1 16 16 VAL H H 1 8.041 0.020 . 1 . . . . 16 VAL H . 19830 1 132 . 1 1 16 16 VAL HA H 1 3.967 0.020 . 1 . . . . 16 VAL HA . 19830 1 133 . 1 1 16 16 VAL HB H 1 1.942 0.020 . 1 . . . . 16 VAL HB . 19830 1 134 . 1 1 16 16 VAL HG11 H 1 0.757 0.020 . 2 . . . . 16 VAL HG1 . 19830 1 135 . 1 1 16 16 VAL HG12 H 1 0.757 0.020 . 2 . . . . 16 VAL HG1 . 19830 1 136 . 1 1 16 16 VAL HG13 H 1 0.757 0.020 . 2 . . . . 16 VAL HG1 . 19830 1 137 . 1 1 16 16 VAL HG21 H 1 0.672 0.020 . 2 . . . . 16 VAL HG2 . 19830 1 138 . 1 1 16 16 VAL HG22 H 1 0.672 0.020 . 2 . . . . 16 VAL HG2 . 19830 1 139 . 1 1 16 16 VAL HG23 H 1 0.672 0.020 . 2 . . . . 16 VAL HG2 . 19830 1 140 . 1 1 16 16 VAL C C 13 174.977 0.3 . 1 . . . . 16 VAL C . 19830 1 141 . 1 1 16 16 VAL CA C 13 59.701 0.3 . 1 . . . . 16 VAL CA . 19830 1 142 . 1 1 16 16 VAL CB C 13 29.555 0.3 . 1 . . . . 16 VAL CB . 19830 1 143 . 1 1 16 16 VAL CG1 C 13 17.916 0.3 . 1 . . . . 16 VAL CG1 . 19830 1 144 . 1 1 16 16 VAL CG2 C 13 17.364 0.3 . 1 . . . . 16 VAL CG2 . 19830 1 145 . 1 1 16 16 VAL N N 15 124.065 0.3 . 1 . . . . 16 VAL N . 19830 1 146 . 1 1 17 17 CYS H H 1 8.333 0.020 . 1 . . . . 17 CYS H . 19830 1 147 . 1 1 17 17 CYS HA H 1 4.349 0.020 . 1 . . . . 17 CYS HA . 19830 1 148 . 1 1 17 17 CYS HB2 H 1 2.810 0.020 . 2 . . . . 17 CYS HB2 . 19830 1 149 . 1 1 17 17 CYS HB3 H 1 2.775 0.020 . 2 . . . . 17 CYS HB3 . 19830 1 150 . 1 1 17 17 CYS C C 13 171.673 0.3 . 1 . . . . 17 CYS C . 19830 1 151 . 1 1 17 17 CYS CA C 13 55.797 0.3 . 1 . . . . 17 CYS CA . 19830 1 152 . 1 1 17 17 CYS CB C 13 24.465 0.3 . 1 . . . . 17 CYS CB . 19830 1 153 . 1 1 17 17 CYS N N 15 123.041 0.3 . 1 . . . . 17 CYS N . 19830 1 154 . 1 1 18 18 ARG H H 1 8.319 0.020 . 1 . . . . 18 ARG H . 19830 1 155 . 1 1 18 18 ARG HA H 1 4.185 0.020 . 1 . . . . 18 ARG HA . 19830 1 156 . 1 1 18 18 ARG HB2 H 1 1.743 0.020 . 2 . . . . 18 ARG HB2 . 19830 1 157 . 1 1 18 18 ARG HB3 H 1 1.655 0.020 . 2 . . . . 18 ARG HB3 . 19830 1 158 . 1 1 18 18 ARG HG2 H 1 1.531 0.020 . 2 . . . . 18 ARG HG2 . 19830 1 159 . 1 1 18 18 ARG HG3 H 1 1.484 0.020 . 2 . . . . 18 ARG HG3 . 19830 1 160 . 1 1 18 18 ARG HD2 H 1 3.075 0.020 . 2 . . . . 18 ARG HD2 . 19830 1 161 . 1 1 18 18 ARG HD3 H 1 3.036 0.020 . 2 . . . . 18 ARG HD3 . 19830 1 162 . 1 1 18 18 ARG C C 13 173.402 0.3 . 1 . . . . 18 ARG C . 19830 1 163 . 1 1 18 18 ARG CA C 13 53.483 0.3 . 1 . . . . 18 ARG CA . 19830 1 164 . 1 1 18 18 ARG CB C 13 27.621 0.3 . 1 . . . . 18 ARG CB . 19830 1 165 . 1 1 18 18 ARG CG C 13 23.894 0.3 . 1 . . . . 18 ARG CG . 19830 1 166 . 1 1 18 18 ARG CD C 13 40.166 0.3 . 1 . . . . 18 ARG CD . 19830 1 167 . 1 1 18 18 ARG N N 15 123.944 0.3 . 1 . . . . 18 ARG N . 19830 1 168 . 1 1 19 19 ARG H H 1 8.273 0.020 . 1 . . . . 19 ARG H . 19830 1 169 . 1 1 19 19 ARG HA H 1 4.184 0.020 . 1 . . . . 19 ARG HA . 19830 1 170 . 1 1 19 19 ARG HB2 H 1 1.613 0.020 . 1 . . . . 19 ARG HB2 . 19830 1 171 . 1 1 19 19 ARG HB3 H 1 1.613 0.020 . 1 . . . . 19 ARG HB3 . 19830 1 172 . 1 1 19 19 ARG C C 13 174.255 0.3 . 1 . . . . 19 ARG C . 19830 1 173 . 1 1 19 19 ARG CA C 13 53.480 0.3 . 1 . . . . 19 ARG CA . 19830 1 174 . 1 1 19 19 ARG CB C 13 27.678 0.3 . 1 . . . . 19 ARG CB . 19830 1 175 . 1 1 19 19 ARG CG C 13 23.808 0.3 . 1 . . . . 19 ARG CG . 19830 1 176 . 1 1 19 19 ARG N N 15 122.723 0.3 . 1 . . . . 19 ARG N . 19830 1 177 . 1 1 20 20 GLU H H 1 8.378 0.020 . 1 . . . . 20 GLU H . 19830 1 178 . 1 1 20 20 GLU HA H 1 4.129 0.020 . 1 . . . . 20 GLU HA . 19830 1 179 . 1 1 20 20 GLU HB2 H 1 1.819 0.020 . 2 . . . . 20 GLU HB2 . 19830 1 180 . 1 1 20 20 GLU HB3 H 1 1.711 0.020 . 2 . . . . 20 GLU HB3 . 19830 1 181 . 1 1 20 20 GLU CA C 13 53.557 0.3 . 1 . . . . 20 GLU CA . 19830 1 182 . 1 1 20 20 GLU CB C 13 27.207 0.3 . 1 . . . . 20 GLU CB . 19830 1 183 . 1 1 20 20 GLU N N 15 121.908 0.3 . 1 . . . . 20 GLU N . 19830 1 184 . 1 1 21 21 PHE H H 1 8.213 0.020 . 1 . . . . 21 PHE H . 19830 1 185 . 1 1 21 21 PHE HA H 1 4.461 0.020 . 1 . . . . 21 PHE HA . 19830 1 186 . 1 1 21 21 PHE HB2 H 1 3.036 0.020 . 2 . . . . 21 PHE HB2 . 19830 1 187 . 1 1 21 21 PHE HB3 H 1 2.872 0.020 . 2 . . . . 21 PHE HB3 . 19830 1 188 . 1 1 21 21 PHE C C 13 173.539 0.3 . 1 . . . . 21 PHE C . 19830 1 189 . 1 1 21 21 PHE CA C 13 54.905 0.3 . 1 . . . . 21 PHE CA . 19830 1 190 . 1 1 21 21 PHE CB C 13 36.337 0.3 . 1 . . . . 21 PHE CB . 19830 1 191 . 1 1 21 21 PHE N N 15 120.890 0.3 . 1 . . . . 21 PHE N . 19830 1 192 . 1 1 22 22 GLY H H 1 8.278 0.020 . 1 . . . . 22 GLY H . 19830 1 193 . 1 1 22 22 GLY HA2 H 1 3.801 0.020 . 2 . . . . 22 GLY HA2 . 19830 1 194 . 1 1 22 22 GLY HA3 H 1 3.745 0.020 . 2 . . . . 22 GLY HA3 . 19830 1 195 . 1 1 22 22 GLY C C 13 170.951 0.3 . 1 . . . . 22 GLY C . 19830 1 196 . 1 1 22 22 GLY CA C 13 42.457 0.3 . 1 . . . . 22 GLY CA . 19830 1 197 . 1 1 22 22 GLY N N 15 110.232 0.3 . 1 . . . . 22 GLY N . 19830 1 198 . 1 1 23 23 HIS H H 1 8.142 0.020 . 1 . . . . 23 HIS H . 19830 1 199 . 1 1 23 23 HIS HA H 1 4.566 0.020 . 1 . . . . 23 HIS HA . 19830 1 200 . 1 1 23 23 HIS HB2 H 1 3.042 0.020 . 2 . . . . 23 HIS HB2 . 19830 1 201 . 1 1 23 23 HIS HB3 H 1 2.970 0.020 . 2 . . . . 23 HIS HB3 . 19830 1 202 . 1 1 23 23 HIS C C 13 171.958 0.3 . 1 . . . . 23 HIS C . 19830 1 203 . 1 1 23 23 HIS CA C 13 52.806 0.3 . 1 . . . . 23 HIS CA . 19830 1 204 . 1 1 23 23 HIS CB C 13 26.655 0.3 . 1 . . . . 23 HIS CB . 19830 1 205 . 1 1 23 23 HIS N N 15 118.844 0.3 . 1 . . . . 23 HIS N . 19830 1 206 . 1 1 24 24 LYS H H 1 8.345 0.020 . 1 . . . . 24 LYS H . 19830 1 207 . 1 1 24 24 LYS HA H 1 4.184 0.020 . 1 . . . . 24 LYS HA . 19830 1 208 . 1 1 24 24 LYS HB2 H 1 1.691 0.020 . 2 . . . . 24 LYS HB2 . 19830 1 209 . 1 1 24 24 LYS HB3 H 1 1.627 0.020 . 2 . . . . 24 LYS HB3 . 19830 1 210 . 1 1 24 24 LYS HG2 H 1 1.238 0.020 . 1 . . . . 24 LYS HG2 . 19830 1 211 . 1 1 24 24 LYS HG3 H 1 1.238 0.020 . 1 . . . . 24 LYS HG3 . 19830 1 212 . 1 1 24 24 LYS HD2 H 1 1.579 0.020 . 2 . . . . 24 LYS HD2 . 19830 1 213 . 1 1 24 24 LYS HD3 H 1 1.553 0.020 . 2 . . . . 24 LYS HD3 . 19830 1 214 . 1 1 24 24 LYS HE2 H 1 2.889 0.020 . 2 . . . . 24 LYS HE2 . 19830 1 215 . 1 1 24 24 LYS HE3 H 1 2.851 0.020 . 2 . . . . 24 LYS HE3 . 19830 1 216 . 1 1 24 24 LYS C C 13 173.674 0.3 . 1 . . . . 24 LYS C . 19830 1 217 . 1 1 24 24 LYS CA C 13 53.477 0.3 . 1 . . . . 24 LYS CA . 19830 1 218 . 1 1 24 24 LYS CB C 13 30.034 0.3 . 1 . . . . 24 LYS CB . 19830 1 219 . 1 1 24 24 LYS CG C 13 21.503 0.3 . 1 . . . . 24 LYS CG . 19830 1 220 . 1 1 24 24 LYS CD C 13 26.250 0.3 . 1 . . . . 24 LYS CD . 19830 1 221 . 1 1 24 24 LYS CE C 13 39.304 0.3 . 1 . . . . 24 LYS CE . 19830 1 222 . 1 1 24 24 LYS N N 15 123.744 0.3 . 1 . . . . 24 LYS N . 19830 1 223 . 1 1 25 25 GLU H H 1 8.581 0.020 . 1 . . . . 25 GLU H . 19830 1 224 . 1 1 25 25 GLU HA H 1 4.132 0.020 . 1 . . . . 25 GLU HA . 19830 1 225 . 1 1 25 25 GLU HB2 H 1 1.955 0.020 . 2 . . . . 25 GLU HB2 . 19830 1 226 . 1 1 25 25 GLU HB3 H 1 1.820 0.020 . 2 . . . . 25 GLU HB3 . 19830 1 227 . 1 1 25 25 GLU HG2 H 1 2.196 0.020 . 2 . . . . 25 GLU HG2 . 19830 1 228 . 1 1 25 25 GLU HG3 H 1 2.161 0.020 . 2 . . . . 25 GLU HG3 . 19830 1 229 . 1 1 25 25 GLU C C 13 173.969 0.3 . 1 . . . . 25 GLU C . 19830 1 230 . 1 1 25 25 GLU CA C 13 54.183 0.3 . 1 . . . . 25 GLU CA . 19830 1 231 . 1 1 25 25 GLU CB C 13 26.957 0.3 . 1 . . . . 25 GLU CB . 19830 1 232 . 1 1 25 25 GLU CG C 13 33.299 0.3 . 1 . . . . 25 GLU CG . 19830 1 233 . 1 1 25 25 GLU N N 15 122.525 0.3 . 1 . . . . 25 GLU N . 19830 1 234 . 1 1 26 26 GLU H H 1 8.366 0.020 . 1 . . . . 26 GLU H . 19830 1 235 . 1 1 26 26 GLU HA H 1 4.136 0.020 . 1 . . . . 26 GLU HA . 19830 1 236 . 1 1 26 26 GLU HB2 H 1 1.942 0.020 . 2 . . . . 26 GLU HB2 . 19830 1 237 . 1 1 26 26 GLU HB3 H 1 1.831 0.020 . 2 . . . . 26 GLU HB3 . 19830 1 238 . 1 1 26 26 GLU HG2 H 1 2.185 0.020 . 2 . . . . 26 GLU HG2 . 19830 1 239 . 1 1 26 26 GLU HG3 H 1 2.119 0.020 . 2 . . . . 26 GLU HG3 . 19830 1 240 . 1 1 26 26 GLU C C 13 173.830 0.3 . 1 . . . . 26 GLU C . 19830 1 241 . 1 1 26 26 GLU CA C 13 53.834 0.3 . 1 . . . . 26 GLU CA . 19830 1 242 . 1 1 26 26 GLU CB C 13 27.123 0.3 . 1 . . . . 26 GLU CB . 19830 1 243 . 1 1 26 26 GLU CG C 13 33.325 0.3 . 1 . . . . 26 GLU CG . 19830 1 244 . 1 1 26 26 GLU N N 15 120.801 0.3 . 1 . . . . 26 GLU N . 19830 1 245 . 1 1 27 27 GLU H H 1 8.267 0.020 . 1 . . . . 27 GLU H . 19830 1 246 . 1 1 27 27 GLU HA H 1 4.126 0.020 . 1 . . . . 27 GLU HA . 19830 1 247 . 1 1 27 27 GLU HB2 H 1 1.938 0.020 . 2 . . . . 27 GLU HB2 . 19830 1 248 . 1 1 27 27 GLU HB3 H 1 1.830 0.020 . 2 . . . . 27 GLU HB3 . 19830 1 249 . 1 1 27 27 GLU HG2 H 1 2.161 0.020 . 2 . . . . 27 GLU HG2 . 19830 1 250 . 1 1 27 27 GLU HG3 H 1 2.119 0.020 . 2 . . . . 27 GLU HG3 . 19830 1 251 . 1 1 27 27 GLU C C 13 173.541 0.3 . 1 . . . . 27 GLU C . 19830 1 252 . 1 1 27 27 GLU CA C 13 54.037 0.3 . 1 . . . . 27 GLU CA . 19830 1 253 . 1 1 27 27 GLU CB C 13 27.155 0.3 . 1 . . . . 27 GLU CB . 19830 1 254 . 1 1 27 27 GLU CG C 13 33.278 0.3 . 1 . . . . 27 GLU CG . 19830 1 255 . 1 1 27 27 GLU N N 15 121.369 0.3 . 1 . . . . 27 GLU N . 19830 1 256 . 1 1 28 28 ASP H H 1 8.299 0.020 . 1 . . . . 28 ASP H . 19830 1 257 . 1 1 28 28 ASP HA H 1 4.459 0.020 . 1 . . . . 28 ASP HA . 19830 1 258 . 1 1 28 28 ASP HB2 H 1 2.597 0.020 . 2 . . . . 28 ASP HB2 . 19830 1 259 . 1 1 28 28 ASP HB3 H 1 2.490 0.020 . 2 . . . . 28 ASP HB3 . 19830 1 260 . 1 1 28 28 ASP C C 13 173.406 0.3 . 1 . . . . 28 ASP C . 19830 1 261 . 1 1 28 28 ASP CA C 13 51.433 0.3 . 1 . . . . 28 ASP CA . 19830 1 262 . 1 1 28 28 ASP CB C 13 38.055 0.3 . 1 . . . . 28 ASP CB . 19830 1 263 . 1 1 28 28 ASP N N 15 121.458 0.3 . 1 . . . . 28 ASP N . 19830 1 264 . 1 1 29 29 ALA H H 1 8.221 0.020 . 1 . . . . 29 ALA H . 19830 1 265 . 1 1 29 29 ALA HA H 1 4.240 0.020 . 1 . . . . 29 ALA HA . 19830 1 266 . 1 1 29 29 ALA HB1 H 1 1.284 0.020 . 1 . . . . 29 ALA HB . 19830 1 267 . 1 1 29 29 ALA HB2 H 1 1.284 0.020 . 1 . . . . 29 ALA HB . 19830 1 268 . 1 1 29 29 ALA HB3 H 1 1.284 0.020 . 1 . . . . 29 ALA HB . 19830 1 269 . 1 1 29 29 ALA C C 13 175.268 0.3 . 1 . . . . 29 ALA C . 19830 1 270 . 1 1 29 29 ALA CA C 13 49.702 0.3 . 1 . . . . 29 ALA CA . 19830 1 271 . 1 1 29 29 ALA CB C 13 15.981 0.3 . 1 . . . . 29 ALA CB . 19830 1 272 . 1 1 29 29 ALA N N 15 125.187 0.3 . 1 . . . . 29 ALA N . 19830 1 273 . 1 1 30 30 SER H H 1 8.256 0.020 . 1 . . . . 30 SER H . 19830 1 274 . 1 1 30 30 SER HA H 1 4.288 0.020 . 1 . . . . 30 SER HA . 19830 1 275 . 1 1 30 30 SER HB2 H 1 3.749 0.020 . 1 . . . . 30 SER HB2 . 19830 1 276 . 1 1 30 30 SER HB3 H 1 3.749 0.020 . 1 . . . . 30 SER HB3 . 19830 1 277 . 1 1 30 30 SER C C 13 172.074 0.3 . 1 . . . . 30 SER C . 19830 1 278 . 1 1 30 30 SER CA C 13 55.896 0.3 . 1 . . . . 30 SER CA . 19830 1 279 . 1 1 30 30 SER CB C 13 60.513 0.3 . 1 . . . . 30 SER CB . 19830 1 280 . 1 1 30 30 SER N N 15 115.200 0.3 . 1 . . . . 30 SER N . 19830 1 281 . 1 1 31 31 GLU H H 1 8.280 0.020 . 1 . . . . 31 GLU H . 19830 1 282 . 1 1 31 31 GLU HA H 1 4.187 0.020 . 1 . . . . 31 GLU HA . 19830 1 283 . 1 1 31 31 GLU HB2 H 1 1.943 0.020 . 2 . . . . 31 GLU HB2 . 19830 1 284 . 1 1 31 31 GLU HB3 H 1 1.832 0.020 . 2 . . . . 31 GLU HB3 . 19830 1 285 . 1 1 31 31 GLU HG2 H 1 2.199 0.020 . 2 . . . . 31 GLU HG2 . 19830 1 286 . 1 1 31 31 GLU HG3 H 1 2.159 0.020 . 2 . . . . 31 GLU HG3 . 19830 1 287 . 1 1 31 31 GLU CA C 13 53.848 0.3 . 1 . . . . 31 GLU CA . 19830 1 288 . 1 1 31 31 GLU CB C 13 27.132 0.3 . 1 . . . . 31 GLU CB . 19830 1 289 . 1 1 31 31 GLU CG C 13 33.302 0.3 . 1 . . . . 31 GLU CG . 19830 1 290 . 1 1 31 31 GLU N N 15 122.379 0.3 . 1 . . . . 31 GLU N . 19830 1 291 . 1 1 32 32 GLY H H 1 8.277 0.020 . 1 . . . . 32 GLY H . 19830 1 292 . 1 1 32 32 GLY HA2 H 1 3.870 0.020 . 2 . . . . 32 GLY HA2 . 19830 1 293 . 1 1 32 32 GLY HA3 H 1 3.791 0.020 . 2 . . . . 32 GLY HA3 . 19830 1 294 . 1 1 32 32 GLY C C 13 171.239 0.3 . 1 . . . . 32 GLY C . 19830 1 295 . 1 1 32 32 GLY CA C 13 42.479 0.3 . 1 . . . . 32 GLY CA . 19830 1 296 . 1 1 32 32 GLY N N 15 109.594 0.3 . 1 . . . . 32 GLY N . 19830 1 297 . 1 1 33 33 VAL H H 1 7.905 0.020 . 1 . . . . 33 VAL H . 19830 1 298 . 1 1 33 33 VAL HA H 1 4.125 0.020 . 1 . . . . 33 VAL HA . 19830 1 299 . 1 1 33 33 VAL HB H 1 1.945 0.020 . 1 . . . . 33 VAL HB . 19830 1 300 . 1 1 33 33 VAL HG11 H 1 0.836 0.020 . 2 . . . . 33 VAL HG1 . 19830 1 301 . 1 1 33 33 VAL HG12 H 1 0.836 0.020 . 2 . . . . 33 VAL HG1 . 19830 1 302 . 1 1 33 33 VAL HG13 H 1 0.836 0.020 . 2 . . . . 33 VAL HG1 . 19830 1 303 . 1 1 33 33 VAL HG21 H 1 0.818 0.020 . 2 . . . . 33 VAL HG2 . 19830 1 304 . 1 1 33 33 VAL HG22 H 1 0.818 0.020 . 2 . . . . 33 VAL HG2 . 19830 1 305 . 1 1 33 33 VAL HG23 H 1 0.818 0.020 . 2 . . . . 33 VAL HG2 . 19830 1 306 . 1 1 33 33 VAL C C 13 173.827 0.3 . 1 . . . . 33 VAL C . 19830 1 307 . 1 1 33 33 VAL CA C 13 59.335 0.3 . 1 . . . . 33 VAL CA . 19830 1 308 . 1 1 33 33 VAL CB C 13 29.563 0.3 . 1 . . . . 33 VAL CB . 19830 1 309 . 1 1 33 33 VAL CG1 C 13 17.817 0.3 . 1 . . . . 33 VAL CG1 . 19830 1 310 . 1 1 33 33 VAL CG2 C 13 17.382 0.3 . 1 . . . . 33 VAL CG2 . 19830 1 311 . 1 1 33 33 VAL N N 15 119.329 0.3 . 1 . . . . 33 VAL N . 19830 1 312 . 1 1 34 34 THR H H 1 8.294 0.020 . 1 . . . . 34 THR H . 19830 1 313 . 1 1 34 34 THR HA H 1 4.399 0.020 . 1 . . . . 34 THR HA . 19830 1 314 . 1 1 34 34 THR HB H 1 4.133 0.020 . 1 . . . . 34 THR HB . 19830 1 315 . 1 1 34 34 THR HG21 H 1 1.069 0.020 . 1 . . . . 34 THR HG2 . 19830 1 316 . 1 1 34 34 THR HG22 H 1 1.069 0.020 . 1 . . . . 34 THR HG2 . 19830 1 317 . 1 1 34 34 THR HG23 H 1 1.069 0.020 . 1 . . . . 34 THR HG2 . 19830 1 318 . 1 1 34 34 THR C C 13 171.958 0.3 . 1 . . . . 34 THR C . 19830 1 319 . 1 1 34 34 THR CA C 13 58.653 0.3 . 1 . . . . 34 THR CA . 19830 1 320 . 1 1 34 34 THR CB C 13 66.832 0.3 . 1 . . . . 34 THR CB . 19830 1 321 . 1 1 34 34 THR CG2 C 13 18.546 0.3 . 1 . . . . 34 THR CG2 . 19830 1 322 . 1 1 34 34 THR N N 15 118.252 0.3 . 1 . . . . 34 THR N . 19830 1 323 . 1 1 35 35 THR H H 1 8.123 0.020 . 1 . . . . 35 THR H . 19830 1 324 . 1 1 35 35 THR HA H 1 4.188 0.020 . 1 . . . . 35 THR HA . 19830 1 325 . 1 1 35 35 THR HB H 1 4.154 0.020 . 1 . . . . 35 THR HB . 19830 1 326 . 1 1 35 35 THR HG21 H 1 1.061 0.020 . 1 . . . . 35 THR HG2 . 19830 1 327 . 1 1 35 35 THR HG22 H 1 1.061 0.020 . 1 . . . . 35 THR HG2 . 19830 1 328 . 1 1 35 35 THR HG23 H 1 1.061 0.020 . 1 . . . . 35 THR HG2 . 19830 1 329 . 1 1 35 35 THR C C 13 172.099 0.3 . 1 . . . . 35 THR C . 19830 1 330 . 1 1 35 35 THR CA C 13 58.967 0.3 . 1 . . . . 35 THR CA . 19830 1 331 . 1 1 35 35 THR CB C 13 66.855 0.3 . 1 . . . . 35 THR CB . 19830 1 332 . 1 1 35 35 THR CG2 C 13 18.117 0.3 . 1 . . . . 35 THR CG2 . 19830 1 333 . 1 1 35 35 THR N N 15 116.056 0.3 . 1 . . . . 35 THR N . 19830 1 334 . 1 1 36 36 GLY H H 1 8.267 0.020 . 1 . . . . 36 GLY H . 19830 1 335 . 1 1 36 36 GLY HA2 H 1 3.859 0.020 . 2 . . . . 36 GLY HA2 . 19830 1 336 . 1 1 36 36 GLY HA3 H 1 3.795 0.020 . 2 . . . . 36 GLY HA3 . 19830 1 337 . 1 1 36 36 GLY C C 13 170.524 0.3 . 1 . . . . 36 GLY C . 19830 1 338 . 1 1 36 36 GLY CA C 13 42.140 0.3 . 1 . . . . 36 GLY CA . 19830 1 339 . 1 1 36 36 GLY N N 15 110.990 0.3 . 1 . . . . 36 GLY N . 19830 1 340 . 1 1 37 37 ASP H H 1 8.157 0.020 . 1 . . . . 37 ASP H . 19830 1 341 . 1 1 37 37 ASP HA H 1 4.768 0.020 . 1 . . . . 37 ASP HA . 19830 1 342 . 1 1 37 37 ASP HB2 H 1 2.653 0.020 . 2 . . . . 37 ASP HB2 . 19830 1 343 . 1 1 37 37 ASP HB3 H 1 2.381 0.020 . 2 . . . . 37 ASP HB3 . 19830 1 344 . 1 1 37 37 ASP C C 13 172.390 0.3 . 1 . . . . 37 ASP C . 19830 1 345 . 1 1 37 37 ASP CA C 13 49.368 0.3 . 1 . . . . 37 ASP CA . 19830 1 346 . 1 1 37 37 ASP CB C 13 38.271 0.3 . 1 . . . . 37 ASP CB . 19830 1 347 . 1 1 37 37 ASP N N 15 121.913 0.3 . 1 . . . . 37 ASP N . 19830 1 348 . 1 1 39 39 ASP H H 1 8.298 0.020 . 1 . . . . 39 ASP H . 19830 1 349 . 1 1 39 39 ASP HA H 1 4.474 0.020 . 1 . . . . 39 ASP HA . 19830 1 350 . 1 1 39 39 ASP HB2 H 1 2.598 0.020 . 2 . . . . 39 ASP HB2 . 19830 1 351 . 1 1 39 39 ASP HB3 H 1 2.489 0.020 . 2 . . . . 39 ASP HB3 . 19830 1 352 . 1 1 39 39 ASP C C 13 173.102 0.3 . 1 . . . . 39 ASP C . 19830 1 353 . 1 1 39 39 ASP CA C 13 51.438 0.3 . 1 . . . . 39 ASP CA . 19830 1 354 . 1 1 39 39 ASP CB C 13 37.800 0.3 . 1 . . . . 39 ASP CB . 19830 1 355 . 1 1 39 39 ASP N N 15 118.664 0.3 . 1 . . . . 39 ASP N . 19830 1 356 . 1 1 40 40 CYS H H 1 7.844 0.020 . 1 . . . . 40 CYS H . 19830 1 357 . 1 1 40 40 CYS HA H 1 4.569 0.020 . 1 . . . . 40 CYS HA . 19830 1 358 . 1 1 40 40 CYS HB2 H 1 2.759 0.020 . 1 . . . . 40 CYS HB2 . 19830 1 359 . 1 1 40 40 CYS HB3 H 1 2.759 0.020 . 1 . . . . 40 CYS HB3 . 19830 1 360 . 1 1 40 40 CYS C C 13 170.233 0.3 . 1 . . . . 40 CYS C . 19830 1 361 . 1 1 40 40 CYS CA C 13 53.480 0.3 . 1 . . . . 40 CYS CA . 19830 1 362 . 1 1 40 40 CYS CB C 13 24.238 0.3 . 1 . . . . 40 CYS CB . 19830 1 363 . 1 1 40 40 CYS N N 15 120.498 0.3 . 1 . . . . 40 CYS N . 19830 1 364 . 1 1 42 42 PHE H H 1 7.981 0.020 . 1 . . . . 42 PHE H . 19830 1 365 . 1 1 42 42 PHE HA H 1 4.598 0.020 . 1 . . . . 42 PHE HA . 19830 1 366 . 1 1 42 42 PHE HB2 H 1 3.060 0.020 . 2 . . . . 42 PHE HB2 . 19830 1 367 . 1 1 42 42 PHE HB3 H 1 2.952 0.020 . 2 . . . . 42 PHE HB3 . 19830 1 368 . 1 1 42 42 PHE C C 13 173.121 0.3 . 1 . . . . 42 PHE C . 19830 1 369 . 1 1 42 42 PHE CA C 13 54.848 0.3 . 1 . . . . 42 PHE CA . 19830 1 370 . 1 1 42 42 PHE CB C 13 36.076 0.3 . 1 . . . . 42 PHE CB . 19830 1 371 . 1 1 42 42 PHE N N 15 119.200 0.3 . 1 . . . . 42 PHE N . 19830 1 372 . 1 1 43 43 THR H H 1 7.887 0.020 . 1 . . . . 43 THR H . 19830 1 373 . 1 1 43 43 THR HA H 1 4.155 0.020 . 1 . . . . 43 THR HA . 19830 1 374 . 1 1 43 43 THR HB H 1 4.020 0.020 . 1 . . . . 43 THR HB . 19830 1 375 . 1 1 43 43 THR HG21 H 1 1.082 0.020 . 1 . . . . 43 THR HG2 . 19830 1 376 . 1 1 43 43 THR HG22 H 1 1.082 0.020 . 1 . . . . 43 THR HG2 . 19830 1 377 . 1 1 43 43 THR HG23 H 1 1.082 0.020 . 1 . . . . 43 THR HG2 . 19830 1 378 . 1 1 43 43 THR C C 13 171.236 0.3 . 1 . . . . 43 THR C . 19830 1 379 . 1 1 43 43 THR CA C 13 58.983 0.3 . 1 . . . . 43 THR CA . 19830 1 380 . 1 1 43 43 THR CB C 13 66.814 0.3 . 1 . . . . 43 THR CB . 19830 1 381 . 1 1 43 43 THR CG2 C 13 18.199 0.3 . 1 . . . . 43 THR CG2 . 19830 1 382 . 1 1 43 43 THR N N 15 115.764 0.3 . 1 . . . . 43 THR N . 19830 1 383 . 1 1 44 44 LYS H H 1 8.035 0.020 . 1 . . . . 44 LYS H . 19830 1 384 . 1 1 44 44 LYS HA H 1 4.164 0.020 . 1 . . . . 44 LYS HA . 19830 1 385 . 1 1 44 44 LYS HB2 H 1 1.696 0.020 . 2 . . . . 44 LYS HB2 . 19830 1 386 . 1 1 44 44 LYS HB3 H 1 1.626 0.020 . 2 . . . . 44 LYS HB3 . 19830 1 387 . 1 1 44 44 LYS HG2 H 1 1.306 0.020 . 2 . . . . 44 LYS HG2 . 19830 1 388 . 1 1 44 44 LYS HG3 H 1 1.249 0.020 . 2 . . . . 44 LYS HG3 . 19830 1 389 . 1 1 44 44 LYS HD2 H 1 1.579 0.020 . 2 . . . . 44 LYS HD2 . 19830 1 390 . 1 1 44 44 LYS HD3 H 1 1.553 0.020 . 2 . . . . 44 LYS HD3 . 19830 1 391 . 1 1 44 44 LYS HE2 H 1 2.890 0.020 . 2 . . . . 44 LYS HE2 . 19830 1 392 . 1 1 44 44 LYS HE3 H 1 2.850 0.020 . 2 . . . . 44 LYS HE3 . 19830 1 393 . 1 1 44 44 LYS C C 13 173.383 0.3 . 1 . . . . 44 LYS C . 19830 1 394 . 1 1 44 44 LYS CA C 13 53.168 0.3 . 1 . . . . 44 LYS CA . 19830 1 395 . 1 1 44 44 LYS CB C 13 29.882 0.3 . 1 . . . . 44 LYS CB . 19830 1 396 . 1 1 44 44 LYS CG C 13 21.515 0.3 . 1 . . . . 44 LYS CG . 19830 1 397 . 1 1 44 44 LYS CD C 13 26.003 0.3 . 1 . . . . 44 LYS CD . 19830 1 398 . 1 1 44 44 LYS CE C 13 39.263 0.3 . 1 . . . . 44 LYS CE . 19830 1 399 . 1 1 44 44 LYS N N 15 123.734 0.3 . 1 . . . . 44 LYS N . 19830 1 400 . 1 1 45 45 ALA H H 1 8.162 0.020 . 1 . . . . 45 ALA H . 19830 1 401 . 1 1 45 45 ALA HA H 1 4.185 0.020 . 1 . . . . 45 ALA HA . 19830 1 402 . 1 1 45 45 ALA HB1 H 1 1.220 0.020 . 1 . . . . 45 ALA HB . 19830 1 403 . 1 1 45 45 ALA HB2 H 1 1.220 0.020 . 1 . . . . 45 ALA HB . 19830 1 404 . 1 1 45 45 ALA HB3 H 1 1.220 0.020 . 1 . . . . 45 ALA HB . 19830 1 405 . 1 1 45 45 ALA C C 13 174.546 0.3 . 1 . . . . 45 ALA C . 19830 1 406 . 1 1 45 45 ALA CA C 13 49.331 0.3 . 1 . . . . 45 ALA CA . 19830 1 407 . 1 1 45 45 ALA CB C 13 15.998 0.3 . 1 . . . . 45 ALA CB . 19830 1 408 . 1 1 45 45 ALA N N 15 125.423 0.3 . 1 . . . . 45 ALA N . 19830 1 409 . 1 1 46 46 ILE H H 1 8.053 0.020 . 1 . . . . 46 ILE H . 19830 1 410 . 1 1 46 46 ILE HA H 1 4.133 0.020 . 1 . . . . 46 ILE HA . 19830 1 411 . 1 1 46 46 ILE HB H 1 1.282 0.020 . 1 . . . . 46 ILE HB . 19830 1 412 . 1 1 46 46 ILE HG21 H 1 0.804 0.020 . 1 . . . . 46 ILE HG2 . 19830 1 413 . 1 1 46 46 ILE HG22 H 1 0.804 0.020 . 1 . . . . 46 ILE HG2 . 19830 1 414 . 1 1 46 46 ILE HG23 H 1 0.804 0.020 . 1 . . . . 46 ILE HG2 . 19830 1 415 . 1 1 46 46 ILE C C 13 171.819 0.3 . 1 . . . . 46 ILE C . 19830 1 416 . 1 1 46 46 ILE CA C 13 55.608 0.3 . 1 . . . . 46 ILE CA . 19830 1 417 . 1 1 46 46 ILE CB C 13 35.801 0.3 . 1 . . . . 46 ILE CB . 19830 1 418 . 1 1 46 46 ILE CG2 C 13 15.816 0.3 . 1 . . . . 46 ILE CG2 . 19830 1 419 . 1 1 46 46 ILE N N 15 122.175 0.3 . 1 . . . . 46 ILE N . 19830 1 420 . 1 1 48 48 ARG H H 1 8.355 0.020 . 1 . . . . 48 ARG H . 19830 1 421 . 1 1 48 48 ARG HA H 1 4.081 0.020 . 1 . . . . 48 ARG HA . 19830 1 422 . 1 1 48 48 ARG HB2 H 1 1.747 0.020 . 2 . . . . 48 ARG HB2 . 19830 1 423 . 1 1 48 48 ARG HB3 H 1 1.660 0.020 . 2 . . . . 48 ARG HB3 . 19830 1 424 . 1 1 48 48 ARG HG2 H 1 1.536 0.020 . 2 . . . . 48 ARG HG2 . 19830 1 425 . 1 1 48 48 ARG HG3 H 1 1.472 0.020 . 2 . . . . 48 ARG HG3 . 19830 1 426 . 1 1 48 48 ARG HD2 H 1 3.078 0.020 . 2 . . . . 48 ARG HD2 . 19830 1 427 . 1 1 48 48 ARG HD3 H 1 3.040 0.020 . 2 . . . . 48 ARG HD3 . 19830 1 428 . 1 1 48 48 ARG C C 13 173.402 0.3 . 1 . . . . 48 ARG C . 19830 1 429 . 1 1 48 48 ARG CA C 13 53.651 0.3 . 1 . . . . 48 ARG CA . 19830 1 430 . 1 1 48 48 ARG CB C 13 27.615 0.3 . 1 . . . . 48 ARG CB . 19830 1 431 . 1 1 48 48 ARG CG C 13 23.923 0.3 . 1 . . . . 48 ARG CG . 19830 1 432 . 1 1 48 48 ARG CD C 13 40.423 0.3 . 1 . . . . 48 ARG CD . 19830 1 433 . 1 1 48 48 ARG N N 15 121.812 0.3 . 1 . . . . 48 ARG N . 19830 1 434 . 1 1 50 50 GLU H H 1 8.541 0.020 . 1 . . . . 50 GLU H . 19830 1 435 . 1 1 50 50 GLU HA H 1 4.076 0.020 . 1 . . . . 50 GLU HA . 19830 1 436 . 1 1 50 50 GLU HB2 H 1 1.847 0.020 . 2 . . . . 50 GLU HB2 . 19830 1 437 . 1 1 50 50 GLU HB3 H 1 1.783 0.020 . 2 . . . . 50 GLU HB3 . 19830 1 438 . 1 1 50 50 GLU HG2 H 1 2.120 0.020 . 1 . . . . 50 GLU HG2 . 19830 1 439 . 1 1 50 50 GLU HG3 H 1 2.120 0.020 . 1 . . . . 50 GLU HG3 . 19830 1 440 . 1 1 50 50 GLU C C 13 173.871 0.3 . 1 . . . . 50 GLU C . 19830 1 441 . 1 1 50 50 GLU CA C 13 54.208 0.3 . 1 . . . . 50 GLU CA . 19830 1 442 . 1 1 50 50 GLU CB C 13 26.804 0.3 . 1 . . . . 50 GLU CB . 19830 1 443 . 1 1 50 50 GLU CG C 13 33.283 0.3 . 1 . . . . 50 GLU CG . 19830 1 444 . 1 1 50 50 GLU N N 15 121.571 0.3 . 1 . . . . 50 GLU N . 19830 1 445 . 1 1 51 51 TYR H H 1 8.015 0.020 . 1 . . . . 51 TYR H . 19830 1 446 . 1 1 51 51 TYR HA H 1 4.351 0.020 . 1 . . . . 51 TYR HA . 19830 1 447 . 1 1 51 51 TYR HB2 H 1 2.982 0.020 . 2 . . . . 51 TYR HB2 . 19830 1 448 . 1 1 51 51 TYR HB3 H 1 2.818 0.020 . 2 . . . . 51 TYR HB3 . 19830 1 449 . 1 1 51 51 TYR CA C 13 55.531 0.3 . 1 . . . . 51 TYR CA . 19830 1 450 . 1 1 51 51 TYR CB C 13 35.332 0.3 . 1 . . . . 51 TYR CB . 19830 1 451 . 1 1 51 51 TYR N N 15 120.309 0.3 . 1 . . . . 51 TYR N . 19830 1 452 . 1 1 52 52 ALA H H 1 8.072 0.020 . 1 . . . . 52 ALA H . 19830 1 453 . 1 1 52 52 ALA HA H 1 4.121 0.020 . 1 . . . . 52 ALA HA . 19830 1 454 . 1 1 52 52 ALA HB1 H 1 1.231 0.020 . 1 . . . . 52 ALA HB . 19830 1 455 . 1 1 52 52 ALA HB2 H 1 1.231 0.020 . 1 . . . . 52 ALA HB . 19830 1 456 . 1 1 52 52 ALA HB3 H 1 1.231 0.020 . 1 . . . . 52 ALA HB . 19830 1 457 . 1 1 52 52 ALA C C 13 174.977 0.3 . 1 . . . . 52 ALA C . 19830 1 458 . 1 1 52 52 ALA CA C 13 50.058 0.3 . 1 . . . . 52 ALA CA . 19830 1 459 . 1 1 52 52 ALA CB C 13 15.677 0.3 . 1 . . . . 52 ALA CB . 19830 1 460 . 1 1 52 52 ALA N N 15 123.869 0.3 . 1 . . . . 52 ALA N . 19830 1 461 . 1 1 53 53 ASN H H 1 8.081 0.020 . 1 . . . . 53 ASN H . 19830 1 462 . 1 1 53 53 ASN HA H 1 4.512 0.020 . 1 . . . . 53 ASN HA . 19830 1 463 . 1 1 53 53 ASN HB2 H 1 2.653 0.020 . 1 . . . . 53 ASN HB2 . 19830 1 464 . 1 1 53 53 ASN HB3 H 1 2.653 0.020 . 1 . . . . 53 ASN HB3 . 19830 1 465 . 1 1 53 53 ASN C C 13 172.680 0.3 . 1 . . . . 53 ASN C . 19830 1 466 . 1 1 53 53 ASN CA C 13 50.424 0.3 . 1 . . . . 53 ASN CA . 19830 1 467 . 1 1 53 53 ASN CB C 13 35.425 0.3 . 1 . . . . 53 ASN CB . 19830 1 468 . 1 1 53 53 ASN N N 15 116.723 0.3 . 1 . . . . 53 ASN N . 19830 1 469 . 1 1 54 54 LYS H H 1 7.950 0.020 . 1 . . . . 54 LYS H . 19830 1 470 . 1 1 54 54 LYS HA H 1 4.022 0.020 . 1 . . . . 54 LYS HA . 19830 1 471 . 1 1 54 54 LYS HB2 H 1 1.720 0.020 . 2 . . . . 54 LYS HB2 . 19830 1 472 . 1 1 54 54 LYS HB3 H 1 1.401 0.020 . 2 . . . . 54 LYS HB3 . 19830 1 473 . 1 1 54 54 LYS HG2 H 1 0.988 0.020 . 1 . . . . 54 LYS HG2 . 19830 1 474 . 1 1 54 54 LYS HG3 H 1 0.988 0.020 . 1 . . . . 54 LYS HG3 . 19830 1 475 . 1 1 54 54 LYS CA C 13 54.136 0.3 . 1 . . . . 54 LYS CA . 19830 1 476 . 1 1 54 54 LYS CB C 13 29.589 0.3 . 1 . . . . 54 LYS CB . 19830 1 477 . 1 1 54 54 LYS N N 15 120.801 0.3 . 1 . . . . 54 LYS N . 19830 1 478 . 1 1 55 55 TYR H H 1 8.026 0.020 . 1 . . . . 55 TYR H . 19830 1 479 . 1 1 55 55 TYR HA H 1 4.514 0.020 . 1 . . . . 55 TYR HA . 19830 1 480 . 1 1 55 55 TYR HB2 H 1 3.034 0.020 . 2 . . . . 55 TYR HB2 . 19830 1 481 . 1 1 55 55 TYR HB3 H 1 2.655 0.020 . 2 . . . . 55 TYR HB3 . 19830 1 482 . 1 1 55 55 TYR C C 13 173.250 0.3 . 1 . . . . 55 TYR C . 19830 1 483 . 1 1 55 55 TYR CA C 13 54.507 0.3 . 1 . . . . 55 TYR CA . 19830 1 484 . 1 1 55 55 TYR CB C 13 35.685 0.3 . 1 . . . . 55 TYR CB . 19830 1 485 . 1 1 55 55 TYR N N 15 118.844 0.3 . 1 . . . . 55 TYR N . 19830 1 486 . 1 1 56 56 GLY H H 1 7.916 0.020 . 1 . . . . 56 GLY H . 19830 1 487 . 1 1 56 56 GLY HA2 H 1 3.980 0.020 . 2 . . . . 56 GLY HA2 . 19830 1 488 . 1 1 56 56 GLY HA3 H 1 3.927 0.020 . 2 . . . . 56 GLY HA3 . 19830 1 489 . 1 1 56 56 GLY C C 13 168.939 0.3 . 1 . . . . 56 GLY C . 19830 1 490 . 1 1 56 56 GLY CA C 13 41.806 0.3 . 1 . . . . 56 GLY CA . 19830 1 491 . 1 1 56 56 GLY N N 15 109.695 0.3 . 1 . . . . 56 GLY N . 19830 1 492 . 1 1 58 58 THR H H 1 8.246 0.020 . 1 . . . . 58 THR H . 19830 1 493 . 1 1 58 58 THR HA H 1 4.282 0.020 . 1 . . . . 58 THR HA . 19830 1 494 . 1 1 58 58 THR HB H 1 4.160 0.020 . 1 . . . . 58 THR HB . 19830 1 495 . 1 1 58 58 THR HG21 H 1 1.104 0.020 . 1 . . . . 58 THR HG2 . 19830 1 496 . 1 1 58 58 THR HG22 H 1 1.104 0.020 . 1 . . . . 58 THR HG2 . 19830 1 497 . 1 1 58 58 THR HG23 H 1 1.104 0.020 . 1 . . . . 58 THR HG2 . 19830 1 498 . 1 1 58 58 THR C C 13 172.101 0.3 . 1 . . . . 58 THR C . 19830 1 499 . 1 1 58 58 THR CA C 13 59.004 0.3 . 1 . . . . 58 THR CA . 19830 1 500 . 1 1 58 58 THR CB C 13 66.832 0.3 . 1 . . . . 58 THR CB . 19830 1 501 . 1 1 58 58 THR CG2 C 13 18.184 0.3 . 1 . . . . 58 THR CG2 . 19830 1 502 . 1 1 58 58 THR N N 15 114.293 0.3 . 1 . . . . 58 THR N . 19830 1 503 . 1 1 59 59 ILE H H 1 8.086 0.020 . 1 . . . . 59 ILE H . 19830 1 504 . 1 1 59 59 ILE HA H 1 4.021 0.020 . 1 . . . . 59 ILE HA . 19830 1 505 . 1 1 59 59 ILE HB H 1 1.767 0.020 . 1 . . . . 59 ILE HB . 19830 1 506 . 1 1 59 59 ILE HG12 H 1 1.381 0.020 . 1 . . . . 59 ILE HG12 . 19830 1 507 . 1 1 59 59 ILE HG13 H 1 1.381 0.020 . 1 . . . . 59 ILE HG13 . 19830 1 508 . 1 1 59 59 ILE HG21 H 1 0.795 0.020 . 1 . . . . 59 ILE HG2 . 19830 1 509 . 1 1 59 59 ILE HG22 H 1 0.795 0.020 . 1 . . . . 59 ILE HG2 . 19830 1 510 . 1 1 59 59 ILE HG23 H 1 0.795 0.020 . 1 . . . . 59 ILE HG2 . 19830 1 511 . 1 1 59 59 ILE HD11 H 1 0.729 0.020 . 1 . . . . 59 ILE HD1 . 19830 1 512 . 1 1 59 59 ILE HD12 H 1 0.729 0.020 . 1 . . . . 59 ILE HD1 . 19830 1 513 . 1 1 59 59 ILE HD13 H 1 0.729 0.020 . 1 . . . . 59 ILE HD1 . 19830 1 514 . 1 1 59 59 ILE C C 13 173.965 0.3 . 1 . . . . 59 ILE C . 19830 1 515 . 1 1 59 59 ILE CA C 13 58.655 0.3 . 1 . . . . 59 ILE CA . 19830 1 516 . 1 1 59 59 ILE CB C 13 35.369 0.3 . 1 . . . . 59 ILE CB . 19830 1 517 . 1 1 59 59 ILE CG1 C 13 24.440 0.3 . 1 . . . . 59 ILE CG1 . 19830 1 518 . 1 1 59 59 ILE CG2 C 13 14.255 0.3 . 1 . . . . 59 ILE CG2 . 19830 1 519 . 1 1 59 59 ILE CD1 C 13 9.613 0.3 . 1 . . . . 59 ILE CD1 . 19830 1 520 . 1 1 59 59 ILE N N 15 122.921 0.3 . 1 . . . . 59 ILE N . 19830 1 521 . 1 1 60 60 GLY H H 1 8.322 0.020 . 1 . . . . 60 GLY H . 19830 1 522 . 1 1 60 60 GLY HA2 H 1 3.848 0.020 . 2 . . . . 60 GLY HA2 . 19830 1 523 . 1 1 60 60 GLY HA3 H 1 3.813 0.020 . 2 . . . . 60 GLY HA3 . 19830 1 524 . 1 1 60 60 GLY C C 13 171.382 0.3 . 1 . . . . 60 GLY C . 19830 1 525 . 1 1 60 60 GLY CA C 13 42.501 0.3 . 1 . . . . 60 GLY CA . 19830 1 526 . 1 1 60 60 GLY N N 15 111.938 0.3 . 1 . . . . 60 GLY N . 19830 1 527 . 1 1 61 61 ASP H H 1 7.892 0.020 . 1 . . . . 61 ASP H . 19830 1 528 . 1 1 61 61 ASP HA H 1 4.569 0.020 . 1 . . . . 61 ASP HA . 19830 1 529 . 1 1 61 61 ASP HB2 H 1 2.491 0.020 . 1 . . . . 61 ASP HB2 . 19830 1 530 . 1 1 61 61 ASP HB3 H 1 2.491 0.020 . 1 . . . . 61 ASP HB3 . 19830 1 531 . 1 1 61 61 ASP CA C 13 49.349 0.3 . 1 . . . . 61 ASP CA . 19830 1 532 . 1 1 61 61 ASP CB C 13 38.136 0.3 . 1 . . . . 61 ASP CB . 19830 1 533 . 1 1 61 61 ASP N N 15 120.191 0.3 . 1 . . . . 61 ASP N . 19830 1 534 . 1 1 63 63 ILE H H 1 7.970 0.020 . 1 . . . . 63 ILE H . 19830 1 535 . 1 1 63 63 ILE HA H 1 3.966 0.020 . 1 . . . . 63 ILE HA . 19830 1 536 . 1 1 63 63 ILE HB H 1 1.702 0.020 . 1 . . . . 63 ILE HB . 19830 1 537 . 1 1 63 63 ILE HG12 H 1 1.378 0.020 . 1 . . . . 63 ILE HG12 . 19830 1 538 . 1 1 63 63 ILE HG13 H 1 1.378 0.020 . 1 . . . . 63 ILE HG13 . 19830 1 539 . 1 1 63 63 ILE HG21 H 1 0.724 0.020 . 1 . . . . 63 ILE HG2 . 19830 1 540 . 1 1 63 63 ILE HG22 H 1 0.724 0.020 . 1 . . . . 63 ILE HG2 . 19830 1 541 . 1 1 63 63 ILE HG23 H 1 0.724 0.020 . 1 . . . . 63 ILE HG2 . 19830 1 542 . 1 1 63 63 ILE HD11 H 1 0.731 0.020 . 1 . . . . 63 ILE HD1 . 19830 1 543 . 1 1 63 63 ILE HD12 H 1 0.731 0.020 . 1 . . . . 63 ILE HD1 . 19830 1 544 . 1 1 63 63 ILE HD13 H 1 0.731 0.020 . 1 . . . . 63 ILE HD1 . 19830 1 545 . 1 1 63 63 ILE C C 13 173.538 0.3 . 1 . . . . 63 ILE C . 19830 1 546 . 1 1 63 63 ILE CA C 13 58.637 0.3 . 1 . . . . 63 ILE CA . 19830 1 547 . 1 1 63 63 ILE CB C 13 35.334 0.3 . 1 . . . . 63 ILE CB . 19830 1 548 . 1 1 63 63 ILE CG1 C 13 24.293 0.3 . 1 . . . . 63 ILE CG1 . 19830 1 549 . 1 1 63 63 ILE CG2 C 13 14.275 0.3 . 1 . . . . 63 ILE CG2 . 19830 1 550 . 1 1 63 63 ILE CD1 C 13 9.591 0.3 . 1 . . . . 63 ILE CD1 . 19830 1 551 . 1 1 63 63 ILE N N 15 121.289 0.3 . 1 . . . . 63 ILE N . 19830 1 552 . 1 1 64 64 ARG H H 1 8.235 0.020 . 1 . . . . 64 ARG H . 19830 1 553 . 1 1 64 64 ARG HA H 1 4.239 0.020 . 1 . . . . 64 ARG HA . 19830 1 554 . 1 1 64 64 ARG HB2 H 1 1.744 0.020 . 2 . . . . 64 ARG HB2 . 19830 1 555 . 1 1 64 64 ARG HB3 H 1 1.655 0.020 . 2 . . . . 64 ARG HB3 . 19830 1 556 . 1 1 64 64 ARG HG2 H 1 1.533 0.020 . 2 . . . . 64 ARG HG2 . 19830 1 557 . 1 1 64 64 ARG HG3 H 1 1.485 0.020 . 2 . . . . 64 ARG HG3 . 19830 1 558 . 1 1 64 64 ARG HD2 H 1 3.079 0.020 . 2 . . . . 64 ARG HD2 . 19830 1 559 . 1 1 64 64 ARG HD3 H 1 3.036 0.020 . 2 . . . . 64 ARG HD3 . 19830 1 560 . 1 1 64 64 ARG CA C 13 53.134 0.3 . 1 . . . . 64 ARG CA . 19830 1 561 . 1 1 64 64 ARG CB C 13 27.623 0.3 . 1 . . . . 64 ARG CB . 19830 1 562 . 1 1 64 64 ARG CG C 13 23.923 0.3 . 1 . . . . 64 ARG CG . 19830 1 563 . 1 1 64 64 ARG CD C 13 40.211 0.3 . 1 . . . . 64 ARG CD . 19830 1 564 . 1 1 64 64 ARG N N 15 124.808 0.3 . 1 . . . . 64 ARG N . 19830 1 565 . 1 1 65 65 LEU H H 1 8.203 0.020 . 1 . . . . 65 LEU H . 19830 1 566 . 1 1 65 65 LEU HA H 1 4.240 0.020 . 1 . . . . 65 LEU HA . 19830 1 567 . 1 1 65 65 LEU HB2 H 1 1.570 0.020 . 2 . . . . 65 LEU HB2 . 19830 1 568 . 1 1 65 65 LEU HB3 H 1 1.485 0.020 . 2 . . . . 65 LEU HB3 . 19830 1 569 . 1 1 65 65 LEU HG H 1 1.439 0.020 . 1 . . . . 65 LEU HG . 19830 1 570 . 1 1 65 65 LEU HD11 H 1 0.761 0.020 . 2 . . . . 65 LEU HD1 . 19830 1 571 . 1 1 65 65 LEU HD12 H 1 0.761 0.020 . 2 . . . . 65 LEU HD1 . 19830 1 572 . 1 1 65 65 LEU HD13 H 1 0.761 0.020 . 2 . . . . 65 LEU HD1 . 19830 1 573 . 1 1 65 65 LEU HD21 H 1 0.674 0.020 . 2 . . . . 65 LEU HD2 . 19830 1 574 . 1 1 65 65 LEU HD22 H 1 0.674 0.020 . 2 . . . . 65 LEU HD2 . 19830 1 575 . 1 1 65 65 LEU HD23 H 1 0.674 0.020 . 2 . . . . 65 LEU HD2 . 19830 1 576 . 1 1 65 65 LEU C C 13 175.127 0.3 . 1 . . . . 65 LEU C . 19830 1 577 . 1 1 65 65 LEU CA C 13 52.465 0.3 . 1 . . . . 65 LEU CA . 19830 1 578 . 1 1 65 65 LEU CB C 13 39.254 0.3 . 1 . . . . 65 LEU CB . 19830 1 579 . 1 1 65 65 LEU CG C 13 23.792 0.3 . 1 . . . . 65 LEU CG . 19830 1 580 . 1 1 65 65 LEU CD1 C 13 21.698 0.3 . 1 . . . . 65 LEU CD1 . 19830 1 581 . 1 1 65 65 LEU CD2 C 13 20.345 0.3 . 1 . . . . 65 LEU CD2 . 19830 1 582 . 1 1 65 65 LEU N N 15 123.568 0.3 . 1 . . . . 65 LEU N . 19830 1 583 . 1 1 66 66 GLY H H 1 8.289 0.020 . 1 . . . . 66 GLY H . 19830 1 584 . 1 1 66 66 GLY HA2 H 1 3.865 0.020 . 2 . . . . 66 GLY HA2 . 19830 1 585 . 1 1 66 66 GLY HA3 H 1 3.797 0.020 . 2 . . . . 66 GLY HA3 . 19830 1 586 . 1 1 66 66 GLY C C 13 171.242 0.3 . 1 . . . . 66 GLY C . 19830 1 587 . 1 1 66 66 GLY CA C 13 42.487 0.3 . 1 . . . . 66 GLY CA . 19830 1 588 . 1 1 66 66 GLY N N 15 109.319 0.3 . 1 . . . . 66 GLY N . 19830 1 589 . 1 1 67 67 ASP H H 1 8.124 0.020 . 1 . . . . 67 ASP H . 19830 1 590 . 1 1 67 67 ASP HA H 1 4.510 0.020 . 1 . . . . 67 ASP HA . 19830 1 591 . 1 1 67 67 ASP HB2 H 1 2.645 0.020 . 2 . . . . 67 ASP HB2 . 19830 1 592 . 1 1 67 67 ASP HB3 H 1 2.546 0.020 . 2 . . . . 67 ASP HB3 . 19830 1 593 . 1 1 67 67 ASP CA C 13 51.767 0.3 . 1 . . . . 67 ASP CA . 19830 1 594 . 1 1 67 67 ASP CB C 13 37.918 0.3 . 1 . . . . 67 ASP CB . 19830 1 595 . 1 1 67 67 ASP N N 15 120.443 0.3 . 1 . . . . 67 ASP N . 19830 1 596 . 1 1 68 68 THR H H 1 8.026 0.020 . 1 . . . . 68 THR H . 19830 1 597 . 1 1 68 68 THR HA H 1 4.156 0.020 . 1 . . . . 68 THR HA . 19830 1 598 . 1 1 68 68 THR HB H 1 4.060 0.020 . 1 . . . . 68 THR HB . 19830 1 599 . 1 1 68 68 THR HG21 H 1 1.099 0.020 . 1 . . . . 68 THR HG2 . 19830 1 600 . 1 1 68 68 THR HG22 H 1 1.099 0.020 . 1 . . . . 68 THR HG2 . 19830 1 601 . 1 1 68 68 THR HG23 H 1 1.099 0.020 . 1 . . . . 68 THR HG2 . 19830 1 602 . 1 1 68 68 THR C C 13 171.828 0.3 . 1 . . . . 68 THR C . 19830 1 603 . 1 1 68 68 THR CA C 13 59.619 0.3 . 1 . . . . 68 THR CA . 19830 1 604 . 1 1 68 68 THR CB C 13 66.429 0.3 . 1 . . . . 68 THR CB . 19830 1 605 . 1 1 68 68 THR CG2 C 13 18.626 0.3 . 1 . . . . 68 THR CG2 . 19830 1 606 . 1 1 68 68 THR N N 15 113.538 0.3 . 1 . . . . 68 THR N . 19830 1 607 . 1 1 69 69 ASP H H 1 8.255 0.020 . 1 . . . . 69 ASP H . 19830 1 608 . 1 1 69 69 ASP HA H 1 4.479 0.020 . 1 . . . . 69 ASP HA . 19830 1 609 . 1 1 69 69 ASP HB2 H 1 2.551 0.020 . 1 . . . . 69 ASP HB2 . 19830 1 610 . 1 1 69 69 ASP HB3 H 1 2.551 0.020 . 1 . . . . 69 ASP HB3 . 19830 1 611 . 1 1 69 69 ASP CA C 13 51.976 0.3 . 1 . . . . 69 ASP CA . 19830 1 612 . 1 1 69 69 ASP CB C 13 37.780 0.3 . 1 . . . . 69 ASP CB . 19830 1 613 . 1 1 69 69 ASP N N 15 122.412 0.3 . 1 . . . . 69 ASP N . 19830 1 614 . 1 1 70 70 LEU H H 1 7.961 0.020 . 1 . . . . 70 LEU H . 19830 1 615 . 1 1 70 70 LEU HA H 1 4.185 0.020 . 1 . . . . 70 LEU HA . 19830 1 616 . 1 1 70 70 LEU HB2 H 1 1.492 0.020 . 1 . . . . 70 LEU HB2 . 19830 1 617 . 1 1 70 70 LEU HB3 H 1 1.492 0.020 . 1 . . . . 70 LEU HB3 . 19830 1 618 . 1 1 70 70 LEU HG H 1 1.313 0.020 . 1 . . . . 70 LEU HG . 19830 1 619 . 1 1 70 70 LEU HD11 H 1 0.811 0.020 . 2 . . . . 70 LEU HD1 . 19830 1 620 . 1 1 70 70 LEU HD12 H 1 0.811 0.020 . 2 . . . . 70 LEU HD1 . 19830 1 621 . 1 1 70 70 LEU HD13 H 1 0.811 0.020 . 2 . . . . 70 LEU HD1 . 19830 1 622 . 1 1 70 70 LEU HD21 H 1 0.755 0.020 . 2 . . . . 70 LEU HD2 . 19830 1 623 . 1 1 70 70 LEU HD22 H 1 0.755 0.020 . 2 . . . . 70 LEU HD2 . 19830 1 624 . 1 1 70 70 LEU HD23 H 1 0.755 0.020 . 2 . . . . 70 LEU HD2 . 19830 1 625 . 1 1 70 70 LEU C C 13 174.696 0.3 . 1 . . . . 70 LEU C . 19830 1 626 . 1 1 70 70 LEU CA C 13 52.807 0.3 . 1 . . . . 70 LEU CA . 19830 1 627 . 1 1 70 70 LEU CB C 13 39.240 0.3 . 1 . . . . 70 LEU CB . 19830 1 628 . 1 1 70 70 LEU CG C 13 23.875 0.3 . 1 . . . . 70 LEU CG . 19830 1 629 . 1 1 70 70 LEU CD1 C 13 21.515 0.3 . 1 . . . . 70 LEU CD1 . 19830 1 630 . 1 1 70 70 LEU CD2 C 13 20.422 0.3 . 1 . . . . 70 LEU CD2 . 19830 1 631 . 1 1 70 70 LEU N N 15 121.995 0.3 . 1 . . . . 70 LEU N . 19830 1 632 . 1 1 71 71 ILE H H 1 7.916 0.020 . 1 . . . . 71 ILE H . 19830 1 633 . 1 1 71 71 ILE HA H 1 3.911 0.020 . 1 . . . . 71 ILE HA . 19830 1 634 . 1 1 71 71 ILE HB H 1 1.723 0.020 . 1 . . . . 71 ILE HB . 19830 1 635 . 1 1 71 71 ILE HG12 H 1 1.383 0.020 . 2 . . . . 71 ILE HG12 . 19830 1 636 . 1 1 71 71 ILE HG13 H 1 1.077 0.020 . 2 . . . . 71 ILE HG13 . 19830 1 637 . 1 1 71 71 ILE HG21 H 1 0.787 0.020 . 1 . . . . 71 ILE HG2 . 19830 1 638 . 1 1 71 71 ILE HG22 H 1 0.787 0.020 . 1 . . . . 71 ILE HG2 . 19830 1 639 . 1 1 71 71 ILE HG23 H 1 0.787 0.020 . 1 . . . . 71 ILE HG2 . 19830 1 640 . 1 1 71 71 ILE HD11 H 1 0.732 0.020 . 1 . . . . 71 ILE HD1 . 19830 1 641 . 1 1 71 71 ILE HD12 H 1 0.732 0.020 . 1 . . . . 71 ILE HD1 . 19830 1 642 . 1 1 71 71 ILE HD13 H 1 0.732 0.020 . 1 . . . . 71 ILE HD1 . 19830 1 643 . 1 1 71 71 ILE C C 13 173.539 0.3 . 1 . . . . 71 ILE C . 19830 1 644 . 1 1 71 71 ILE CA C 13 58.957 0.3 . 1 . . . . 71 ILE CA . 19830 1 645 . 1 1 71 71 ILE CB C 13 35.268 0.3 . 1 . . . . 71 ILE CB . 19830 1 646 . 1 1 71 71 ILE CG1 C 13 24.508 0.3 . 1 . . . . 71 ILE CG1 . 19830 1 647 . 1 1 71 71 ILE CG2 C 13 14.321 0.3 . 1 . . . . 71 ILE CG2 . 19830 1 648 . 1 1 71 71 ILE CD1 C 13 9.610 0.3 . 1 . . . . 71 ILE CD1 . 19830 1 649 . 1 1 71 71 ILE N N 15 121.027 0.3 . 1 . . . . 71 ILE N . 19830 1 650 . 1 1 72 72 ALA H H 1 8.080 0.020 . 1 . . . . 72 ALA H . 19830 1 651 . 1 1 72 72 ALA HA H 1 4.138 0.020 . 1 . . . . 72 ALA HA . 19830 1 652 . 1 1 72 72 ALA HB1 H 1 1.281 0.020 . 1 . . . . 72 ALA HB . 19830 1 653 . 1 1 72 72 ALA HB2 H 1 1.281 0.020 . 1 . . . . 72 ALA HB . 19830 1 654 . 1 1 72 72 ALA HB3 H 1 1.281 0.020 . 1 . . . . 72 ALA HB . 19830 1 655 . 1 1 72 72 ALA C C 13 175.521 0.3 . 1 . . . . 72 ALA C . 19830 1 656 . 1 1 72 72 ALA CA C 13 50.048 0.3 . 1 . . . . 72 ALA CA . 19830 1 657 . 1 1 72 72 ALA CB C 13 15.992 0.3 . 1 . . . . 72 ALA CB . 19830 1 658 . 1 1 72 72 ALA N N 15 126.315 0.3 . 1 . . . . 72 ALA N . 19830 1 659 . 1 1 73 73 GLU H H 1 8.112 0.020 . 1 . . . . 73 GLU H . 19830 1 660 . 1 1 73 73 GLU HA H 1 4.090 0.020 . 1 . . . . 73 GLU HA . 19830 1 661 . 1 1 73 73 GLU HB2 H 1 1.977 0.020 . 2 . . . . 73 GLU HB2 . 19830 1 662 . 1 1 73 73 GLU HB3 H 1 1.849 0.020 . 2 . . . . 73 GLU HB3 . 19830 1 663 . 1 1 73 73 GLU HG2 H 1 2.198 0.020 . 2 . . . . 73 GLU HG2 . 19830 1 664 . 1 1 73 73 GLU HG3 H 1 2.159 0.020 . 2 . . . . 73 GLU HG3 . 19830 1 665 . 1 1 73 73 GLU C C 13 174.276 0.3 . 1 . . . . 73 GLU C . 19830 1 666 . 1 1 73 73 GLU CA C 13 54.195 0.3 . 1 . . . . 73 GLU CA . 19830 1 667 . 1 1 73 73 GLU CB C 13 27.130 0.3 . 1 . . . . 73 GLU CB . 19830 1 668 . 1 1 73 73 GLU CG C 13 33.276 0.3 . 1 . . . . 73 GLU CG . 19830 1 669 . 1 1 73 73 GLU N N 15 119.726 0.3 . 1 . . . . 73 GLU N . 19830 1 670 . 1 1 74 74 ILE H H 1 7.970 0.020 . 1 . . . . 74 ILE H . 19830 1 671 . 1 1 74 74 ILE HA H 1 3.951 0.020 . 1 . . . . 74 ILE HA . 19830 1 672 . 1 1 74 74 ILE HB H 1 1.725 0.020 . 1 . . . . 74 ILE HB . 19830 1 673 . 1 1 74 74 ILE HG12 H 1 1.377 0.020 . 2 . . . . 74 ILE HG12 . 19830 1 674 . 1 1 74 74 ILE HG13 H 1 1.072 0.020 . 2 . . . . 74 ILE HG13 . 19830 1 675 . 1 1 74 74 ILE HG21 H 1 0.784 0.020 . 1 . . . . 74 ILE HG2 . 19830 1 676 . 1 1 74 74 ILE HG22 H 1 0.784 0.020 . 1 . . . . 74 ILE HG2 . 19830 1 677 . 1 1 74 74 ILE HG23 H 1 0.784 0.020 . 1 . . . . 74 ILE HG2 . 19830 1 678 . 1 1 74 74 ILE HD11 H 1 0.728 0.020 . 1 . . . . 74 ILE HD1 . 19830 1 679 . 1 1 74 74 ILE HD12 H 1 0.728 0.020 . 1 . . . . 74 ILE HD1 . 19830 1 680 . 1 1 74 74 ILE HD13 H 1 0.728 0.020 . 1 . . . . 74 ILE HD1 . 19830 1 681 . 1 1 74 74 ILE C C 13 173.539 0.3 . 1 . . . . 74 ILE C . 19830 1 682 . 1 1 74 74 ILE CA C 13 59.255 0.3 . 1 . . . . 74 ILE CA . 19830 1 683 . 1 1 74 74 ILE CB C 13 35.404 0.3 . 1 . . . . 74 ILE CB . 19830 1 684 . 1 1 74 74 ILE CG1 C 13 24.447 0.3 . 1 . . . . 74 ILE CG1 . 19830 1 685 . 1 1 74 74 ILE CG2 C 13 14.272 0.3 . 1 . . . . 74 ILE CG2 . 19830 1 686 . 1 1 74 74 ILE CD1 C 13 9.599 0.3 . 1 . . . . 74 ILE CD1 . 19830 1 687 . 1 1 74 74 ILE N N 15 120.959 0.3 . 1 . . . . 74 ILE N . 19830 1 688 . 1 1 75 75 GLU H H 1 8.271 0.020 . 1 . . . . 75 GLU H . 19830 1 689 . 1 1 75 75 GLU HA H 1 4.131 0.020 . 1 . . . . 75 GLU HA . 19830 1 690 . 1 1 75 75 GLU HB2 H 1 1.894 0.020 . 2 . . . . 75 GLU HB2 . 19830 1 691 . 1 1 75 75 GLU HB3 H 1 1.723 0.020 . 2 . . . . 75 GLU HB3 . 19830 1 692 . 1 1 75 75 GLU HG2 H 1 2.159 0.020 . 1 . . . . 75 GLU HG2 . 19830 1 693 . 1 1 75 75 GLU HG3 H 1 2.159 0.020 . 1 . . . . 75 GLU HG3 . 19830 1 694 . 1 1 75 75 GLU C C 13 174.255 0.3 . 1 . . . . 75 GLU C . 19830 1 695 . 1 1 75 75 GLU CA C 13 54.505 0.3 . 1 . . . . 75 GLU CA . 19830 1 696 . 1 1 75 75 GLU CB C 13 26.651 0.3 . 1 . . . . 75 GLU CB . 19830 1 697 . 1 1 75 75 GLU CG C 13 33.310 0.3 . 1 . . . . 75 GLU CG . 19830 1 698 . 1 1 75 75 GLU N N 15 123.132 0.3 . 1 . . . . 75 GLU N . 19830 1 699 . 1 1 76 76 LYS H H 1 8.020 0.020 . 1 . . . . 76 LYS H . 19830 1 700 . 1 1 76 76 LYS HA H 1 4.074 0.020 . 1 . . . . 76 LYS HA . 19830 1 701 . 1 1 76 76 LYS HB2 H 1 1.692 0.020 . 2 . . . . 76 LYS HB2 . 19830 1 702 . 1 1 76 76 LYS HB3 H 1 1.627 0.020 . 2 . . . . 76 LYS HB3 . 19830 1 703 . 1 1 76 76 LYS HG2 H 1 1.308 0.020 . 2 . . . . 76 LYS HG2 . 19830 1 704 . 1 1 76 76 LYS HG3 H 1 1.251 0.020 . 2 . . . . 76 LYS HG3 . 19830 1 705 . 1 1 76 76 LYS HD2 H 1 1.554 0.020 . 1 . . . . 76 LYS HD2 . 19830 1 706 . 1 1 76 76 LYS HD3 H 1 1.554 0.020 . 1 . . . . 76 LYS HD3 . 19830 1 707 . 1 1 76 76 LYS HE2 H 1 2.890 0.020 . 2 . . . . 76 LYS HE2 . 19830 1 708 . 1 1 76 76 LYS HE3 H 1 2.849 0.020 . 2 . . . . 76 LYS HE3 . 19830 1 709 . 1 1 76 76 LYS C C 13 173.104 0.3 . 1 . . . . 76 LYS C . 19830 1 710 . 1 1 76 76 LYS CA C 13 54.213 0.3 . 1 . . . . 76 LYS CA . 19830 1 711 . 1 1 76 76 LYS CB C 13 29.563 0.3 . 1 . . . . 76 LYS CB . 19830 1 712 . 1 1 76 76 LYS CG C 13 21.461 0.3 . 1 . . . . 76 LYS CG . 19830 1 713 . 1 1 76 76 LYS CD C 13 25.922 0.3 . 1 . . . . 76 LYS CD . 19830 1 714 . 1 1 76 76 LYS CE C 13 39.234 0.3 . 1 . . . . 76 LYS CE . 19830 1 715 . 1 1 76 76 LYS N N 15 121.658 0.3 . 1 . . . . 76 LYS N . 19830 1 716 . 1 1 77 77 ASP H H 1 8.214 0.020 . 1 . . . . 77 ASP H . 19830 1 717 . 1 1 77 77 ASP HA H 1 4.225 0.020 . 1 . . . . 77 ASP HA . 19830 1 718 . 1 1 77 77 ASP C C 13 174.257 0.3 . 1 . . . . 77 ASP C . 19830 1 719 . 1 1 77 77 ASP CA C 13 52.107 0.3 . 1 . . . . 77 ASP CA . 19830 1 720 . 1 1 77 77 ASP CB C 13 39.279 0.3 . 1 . . . . 77 ASP CB . 19830 1 721 . 1 1 77 77 ASP N N 15 126.843 0.3 . 1 . . . . 77 ASP N . 19830 1 722 . 1 1 78 78 PHE H H 1 8.048 0.020 . 1 . . . . 78 PHE H . 19830 1 723 . 1 1 78 78 PHE HA H 1 4.350 0.020 . 1 . . . . 78 PHE HA . 19830 1 724 . 1 1 78 78 PHE HB2 H 1 3.017 0.020 . 2 . . . . 78 PHE HB2 . 19830 1 725 . 1 1 78 78 PHE HB3 H 1 2.929 0.020 . 2 . . . . 78 PHE HB3 . 19830 1 726 . 1 1 78 78 PHE CA C 13 55.626 0.3 . 1 . . . . 78 PHE CA . 19830 1 727 . 1 1 78 78 PHE CB C 13 35.843 0.3 . 1 . . . . 78 PHE CB . 19830 1 728 . 1 1 78 78 PHE N N 15 120.744 0.3 . 1 . . . . 78 PHE N . 19830 1 729 . 1 1 79 79 ALA H H 1 8.027 0.020 . 1 . . . . 79 ALA H . 19830 1 730 . 1 1 79 79 ALA HA H 1 4.072 0.020 . 1 . . . . 79 ALA HA . 19830 1 731 . 1 1 79 79 ALA HB1 H 1 1.177 0.020 . 1 . . . . 79 ALA HB . 19830 1 732 . 1 1 79 79 ALA HB2 H 1 1.177 0.020 . 1 . . . . 79 ALA HB . 19830 1 733 . 1 1 79 79 ALA HB3 H 1 1.177 0.020 . 1 . . . . 79 ALA HB . 19830 1 734 . 1 1 79 79 ALA CA C 13 50.051 0.3 . 1 . . . . 79 ALA CA . 19830 1 735 . 1 1 79 79 ALA CB C 13 15.524 0.3 . 1 . . . . 79 ALA CB . 19830 1 736 . 1 1 79 79 ALA N N 15 123.689 0.3 . 1 . . . . 79 ALA N . 19830 1 737 . 1 1 80 80 LEU H H 1 7.729 0.020 . 1 . . . . 80 LEU H . 19830 1 738 . 1 1 80 80 LEU HA H 1 4.076 0.020 . 1 . . . . 80 LEU HA . 19830 1 739 . 1 1 80 80 LEU HB2 H 1 1.362 0.020 . 2 . . . . 80 LEU HB2 . 19830 1 740 . 1 1 80 80 LEU HB3 H 1 1.157 0.020 . 2 . . . . 80 LEU HB3 . 19830 1 741 . 1 1 80 80 LEU HG H 1 1.321 0.020 . 1 . . . . 80 LEU HG . 19830 1 742 . 1 1 80 80 LEU HD11 H 1 0.811 0.020 . 2 . . . . 80 LEU HD1 . 19830 1 743 . 1 1 80 80 LEU HD12 H 1 0.811 0.020 . 2 . . . . 80 LEU HD1 . 19830 1 744 . 1 1 80 80 LEU HD13 H 1 0.811 0.020 . 2 . . . . 80 LEU HD1 . 19830 1 745 . 1 1 80 80 LEU HD21 H 1 0.678 0.020 . 2 . . . . 80 LEU HD2 . 19830 1 746 . 1 1 80 80 LEU HD22 H 1 0.678 0.020 . 2 . . . . 80 LEU HD2 . 19830 1 747 . 1 1 80 80 LEU HD23 H 1 0.678 0.020 . 2 . . . . 80 LEU HD2 . 19830 1 748 . 1 1 80 80 LEU C C 13 174.550 0.3 . 1 . . . . 80 LEU C . 19830 1 749 . 1 1 80 80 LEU CA C 13 52.472 0.3 . 1 . . . . 80 LEU CA . 19830 1 750 . 1 1 80 80 LEU CB C 13 39.246 0.3 . 1 . . . . 80 LEU CB . 19830 1 751 . 1 1 80 80 LEU CG C 13 23.714 0.3 . 1 . . . . 80 LEU CG . 19830 1 752 . 1 1 80 80 LEU CD1 C 13 21.543 0.3 . 1 . . . . 80 LEU CD1 . 19830 1 753 . 1 1 80 80 LEU CD2 C 13 20.321 0.3 . 1 . . . . 80 LEU CD2 . 19830 1 754 . 1 1 80 80 LEU N N 15 119.469 0.3 . 1 . . . . 80 LEU N . 19830 1 755 . 1 1 81 81 TYR H H 1 7.939 0.020 . 1 . . . . 81 TYR H . 19830 1 756 . 1 1 81 81 TYR HA H 1 4.461 0.020 . 1 . . . . 81 TYR HA . 19830 1 757 . 1 1 81 81 TYR HB2 H 1 2.981 0.020 . 2 . . . . 81 TYR HB2 . 19830 1 758 . 1 1 81 81 TYR HB3 H 1 2.715 0.020 . 2 . . . . 81 TYR HB3 . 19830 1 759 . 1 1 81 81 TYR C C 13 173.684 0.3 . 1 . . . . 81 TYR C . 19830 1 760 . 1 1 81 81 TYR CA C 13 54.862 0.3 . 1 . . . . 81 TYR CA . 19830 1 761 . 1 1 81 81 TYR CB C 13 35.788 0.3 . 1 . . . . 81 TYR CB . 19830 1 762 . 1 1 81 81 TYR N N 15 118.606 0.3 . 1 . . . . 81 TYR N . 19830 1 763 . 1 1 82 82 GLY H H 1 8.135 0.020 . 1 . . . . 82 GLY H . 19830 1 764 . 1 1 82 82 GLY HA2 H 1 3.800 0.020 . 2 . . . . 82 GLY HA2 . 19830 1 765 . 1 1 82 82 GLY HA3 H 1 3.730 0.020 . 2 . . . . 82 GLY HA3 . 19830 1 766 . 1 1 82 82 GLY CA C 13 42.497 0.3 . 1 . . . . 82 GLY CA . 19830 1 767 . 1 1 82 82 GLY N N 15 109.700 0.3 . 1 . . . . 82 GLY N . 19830 1 768 . 1 1 83 83 ASP H H 1 8.080 0.020 . 1 . . . . 83 ASP H . 19830 1 769 . 1 1 83 83 ASP HA H 1 4.457 0.020 . 1 . . . . 83 ASP HA . 19830 1 770 . 1 1 83 83 ASP HB2 H 1 2.542 0.020 . 1 . . . . 83 ASP HB2 . 19830 1 771 . 1 1 83 83 ASP HB3 H 1 2.542 0.020 . 1 . . . . 83 ASP HB3 . 19830 1 772 . 1 1 83 83 ASP CA C 13 51.765 0.3 . 1 . . . . 83 ASP CA . 19830 1 773 . 1 1 83 83 ASP CB C 13 38.006 0.3 . 1 . . . . 83 ASP CB . 19830 1 774 . 1 1 83 83 ASP N N 15 120.439 0.3 . 1 . . . . 83 ASP N . 19830 1 775 . 1 1 84 84 GLU H H 1 8.509 0.020 . 1 . . . . 84 GLU H . 19830 1 776 . 1 1 84 84 GLU HA H 1 4.130 0.020 . 1 . . . . 84 GLU HA . 19830 1 777 . 1 1 84 84 GLU HB2 H 1 1.996 0.020 . 2 . . . . 84 GLU HB2 . 19830 1 778 . 1 1 84 84 GLU HB3 H 1 1.885 0.020 . 2 . . . . 84 GLU HB3 . 19830 1 779 . 1 1 84 84 GLU HG2 H 1 2.154 0.020 . 1 . . . . 84 GLU HG2 . 19830 1 780 . 1 1 84 84 GLU HG3 H 1 2.154 0.020 . 1 . . . . 84 GLU HG3 . 19830 1 781 . 1 1 84 84 GLU C C 13 174.247 0.3 . 1 . . . . 84 GLU C . 19830 1 782 . 1 1 84 84 GLU CA C 13 54.489 0.3 . 1 . . . . 84 GLU CA . 19830 1 783 . 1 1 84 84 GLU CB C 13 26.658 0.3 . 1 . . . . 84 GLU CB . 19830 1 784 . 1 1 84 84 GLU CG C 13 33.302 0.3 . 1 . . . . 84 GLU CG . 19830 1 785 . 1 1 84 84 GLU N N 15 121.278 0.3 . 1 . . . . 84 GLU N . 19830 1 786 . 1 1 85 85 SER H H 1 8.300 0.020 . 1 . . . . 85 SER H . 19830 1 787 . 1 1 85 85 SER HA H 1 4.272 0.020 . 1 . . . . 85 SER HA . 19830 1 788 . 1 1 85 85 SER HB2 H 1 3.804 0.020 . 2 . . . . 85 SER HB2 . 19830 1 789 . 1 1 85 85 SER HB3 H 1 3.755 0.020 . 2 . . . . 85 SER HB3 . 19830 1 790 . 1 1 85 85 SER C C 13 172.262 0.3 . 1 . . . . 85 SER C . 19830 1 791 . 1 1 85 85 SER CA C 13 56.231 0.3 . 1 . . . . 85 SER CA . 19830 1 792 . 1 1 85 85 SER CB C 13 60.623 0.3 . 1 . . . . 85 SER CB . 19830 1 793 . 1 1 85 85 SER N N 15 116.223 0.3 . 1 . . . . 85 SER N . 19830 1 794 . 1 1 86 86 VAL H H 1 7.773 0.020 . 1 . . . . 86 VAL H . 19830 1 795 . 1 1 86 86 VAL HA H 1 3.914 0.020 . 1 . . . . 86 VAL HA . 19830 1 796 . 1 1 86 86 VAL HB H 1 1.832 0.020 . 1 . . . . 86 VAL HB . 19830 1 797 . 1 1 86 86 VAL HG11 H 1 0.619 0.020 . 1 . . . . 86 VAL HG1 . 19830 1 798 . 1 1 86 86 VAL HG12 H 1 0.619 0.020 . 1 . . . . 86 VAL HG1 . 19830 1 799 . 1 1 86 86 VAL HG13 H 1 0.619 0.020 . 1 . . . . 86 VAL HG1 . 19830 1 800 . 1 1 86 86 VAL HG21 H 1 0.619 0.020 . 1 . . . . 86 VAL HG2 . 19830 1 801 . 1 1 86 86 VAL HG22 H 1 0.619 0.020 . 1 . . . . 86 VAL HG2 . 19830 1 802 . 1 1 86 86 VAL HG23 H 1 0.619 0.020 . 1 . . . . 86 VAL HG2 . 19830 1 803 . 1 1 86 86 VAL C C 13 173.393 0.3 . 1 . . . . 86 VAL C . 19830 1 804 . 1 1 86 86 VAL CA C 13 59.911 0.3 . 1 . . . . 86 VAL CA . 19830 1 805 . 1 1 86 86 VAL CB C 13 29.398 0.3 . 1 . . . . 86 VAL CB . 19830 1 806 . 1 1 86 86 VAL N N 15 120.710 0.3 . 1 . . . . 86 VAL N . 19830 1 807 . 1 1 87 87 PHE H H 1 8.076 0.020 . 1 . . . . 87 PHE H . 19830 1 808 . 1 1 87 87 PHE HA H 1 4.508 0.020 . 1 . . . . 87 PHE HA . 19830 1 809 . 1 1 87 87 PHE HB2 H 1 3.037 0.020 . 2 . . . . 87 PHE HB2 . 19830 1 810 . 1 1 87 87 PHE HB3 H 1 2.871 0.020 . 2 . . . . 87 PHE HB3 . 19830 1 811 . 1 1 87 87 PHE C C 13 173.824 0.3 . 1 . . . . 87 PHE C . 19830 1 812 . 1 1 87 87 PHE CA C 13 55.204 0.3 . 1 . . . . 87 PHE CA . 19830 1 813 . 1 1 87 87 PHE CB C 13 35.851 0.3 . 1 . . . . 87 PHE CB . 19830 1 814 . 1 1 87 87 PHE N N 15 122.011 0.3 . 1 . . . . 87 PHE N . 19830 1 815 . 1 1 88 88 GLY H H 1 8.141 0.020 . 1 . . . . 88 GLY H . 19830 1 816 . 1 1 88 88 GLY HA2 H 1 3.831 0.020 . 2 . . . . 88 GLY HA2 . 19830 1 817 . 1 1 88 88 GLY HA3 H 1 3.787 0.020 . 2 . . . . 88 GLY HA3 . 19830 1 818 . 1 1 88 88 GLY C C 13 172.099 0.3 . 1 . . . . 88 GLY C . 19830 1 819 . 1 1 88 88 GLY CA C 13 42.660 0.3 . 1 . . . . 88 GLY CA . 19830 1 820 . 1 1 88 88 GLY N N 15 110.651 0.3 . 1 . . . . 88 GLY N . 19830 1 821 . 1 1 89 89 GLY H H 1 7.995 0.020 . 1 . . . . 89 GLY H . 19830 1 822 . 1 1 89 89 GLY HA2 H 1 3.858 0.020 . 2 . . . . 89 GLY HA2 . 19830 1 823 . 1 1 89 89 GLY HA3 H 1 3.786 0.020 . 2 . . . . 89 GLY HA3 . 19830 1 824 . 1 1 89 89 GLY C C 13 171.964 0.3 . 1 . . . . 89 GLY C . 19830 1 825 . 1 1 89 89 GLY CA C 13 42.501 0.3 . 1 . . . . 89 GLY CA . 19830 1 826 . 1 1 89 89 GLY N N 15 108.360 0.3 . 1 . . . . 89 GLY N . 19830 1 827 . 1 1 90 90 GLY H H 1 8.208 0.020 . 1 . . . . 90 GLY H . 19830 1 828 . 1 1 90 90 GLY HA2 H 1 3.850 0.020 . 2 . . . . 90 GLY HA2 . 19830 1 829 . 1 1 90 90 GLY HA3 H 1 3.785 0.020 . 2 . . . . 90 GLY HA3 . 19830 1 830 . 1 1 90 90 GLY C C 13 171.240 0.3 . 1 . . . . 90 GLY C . 19830 1 831 . 1 1 90 90 GLY CA C 13 42.170 0.3 . 1 . . . . 90 GLY CA . 19830 1 832 . 1 1 90 90 GLY N N 15 108.503 0.3 . 1 . . . . 90 GLY N . 19830 1 833 . 1 1 91 91 LYS H H 1 8.001 0.020 . 1 . . . . 91 LYS H . 19830 1 834 . 1 1 91 91 LYS HA H 1 4.191 0.020 . 1 . . . . 91 LYS HA . 19830 1 835 . 1 1 91 91 LYS HB2 H 1 1.693 0.020 . 2 . . . . 91 LYS HB2 . 19830 1 836 . 1 1 91 91 LYS HB3 H 1 1.626 0.020 . 2 . . . . 91 LYS HB3 . 19830 1 837 . 1 1 91 91 LYS HG2 H 1 1.242 0.020 . 1 . . . . 91 LYS HG2 . 19830 1 838 . 1 1 91 91 LYS HG3 H 1 1.242 0.020 . 1 . . . . 91 LYS HG3 . 19830 1 839 . 1 1 91 91 LYS C C 13 173.665 0.3 . 1 . . . . 91 LYS C . 19830 1 840 . 1 1 91 91 LYS CA C 13 53.478 0.3 . 1 . . . . 91 LYS CA . 19830 1 841 . 1 1 91 91 LYS CB C 13 30.041 0.3 . 1 . . . . 91 LYS CB . 19830 1 842 . 1 1 91 91 LYS CG C 13 21.459 0.3 . 1 . . . . 91 LYS CG . 19830 1 843 . 1 1 91 91 LYS CD C 13 39.329 0.3 . 1 . . . . 91 LYS CD . 19830 1 844 . 1 1 91 91 LYS N N 15 120.505 0.3 . 1 . . . . 91 LYS N . 19830 1 845 . 1 1 92 92 VAL H H 1 8.039 0.020 . 1 . . . . 92 VAL H . 19830 1 846 . 1 1 92 92 VAL HA H 1 3.916 0.020 . 1 . . . . 92 VAL HA . 19830 1 847 . 1 1 92 92 VAL HB H 1 1.879 0.020 . 1 . . . . 92 VAL HB . 19830 1 848 . 1 1 92 92 VAL HG11 H 1 0.833 0.020 . 2 . . . . 92 VAL HG1 . 19830 1 849 . 1 1 92 92 VAL HG12 H 1 0.833 0.020 . 2 . . . . 92 VAL HG1 . 19830 1 850 . 1 1 92 92 VAL HG13 H 1 0.833 0.020 . 2 . . . . 92 VAL HG1 . 19830 1 851 . 1 1 92 92 VAL HG21 H 1 0.750 0.020 . 2 . . . . 92 VAL HG2 . 19830 1 852 . 1 1 92 92 VAL HG22 H 1 0.750 0.020 . 2 . . . . 92 VAL HG2 . 19830 1 853 . 1 1 92 92 VAL HG23 H 1 0.750 0.020 . 2 . . . . 92 VAL HG2 . 19830 1 854 . 1 1 92 92 VAL CA C 13 59.671 0.3 . 1 . . . . 92 VAL CA . 19830 1 855 . 1 1 92 92 VAL CB C 13 29.588 0.3 . 1 . . . . 92 VAL CB . 19830 1 856 . 1 1 92 92 VAL CG1 C 13 17.926 0.3 . 1 . . . . 92 VAL CG1 . 19830 1 857 . 1 1 92 92 VAL CG2 C 13 17.341 0.3 . 1 . . . . 92 VAL CG2 . 19830 1 858 . 1 1 92 92 VAL N N 15 121.667 0.3 . 1 . . . . 92 VAL N . 19830 1 859 . 1 1 93 93 ILE H H 1 8.164 0.020 . 1 . . . . 93 ILE H . 19830 1 860 . 1 1 93 93 ILE HA H 1 4.013 0.020 . 1 . . . . 93 ILE HA . 19830 1 861 . 1 1 93 93 ILE HB H 1 1.694 0.020 . 1 . . . . 93 ILE HB . 19830 1 862 . 1 1 93 93 ILE HG21 H 1 0.707 0.020 . 1 . . . . 93 ILE HG2 . 19830 1 863 . 1 1 93 93 ILE HG22 H 1 0.707 0.020 . 1 . . . . 93 ILE HG2 . 19830 1 864 . 1 1 93 93 ILE HG23 H 1 0.707 0.020 . 1 . . . . 93 ILE HG2 . 19830 1 865 . 1 1 93 93 ILE C C 13 174.534 0.3 . 1 . . . . 93 ILE C . 19830 1 866 . 1 1 93 93 ILE CA C 13 57.943 0.3 . 1 . . . . 93 ILE CA . 19830 1 867 . 1 1 93 93 ILE CB C 13 35.364 0.3 . 1 . . . . 93 ILE CB . 19830 1 868 . 1 1 93 93 ILE N N 15 125.647 0.3 . 1 . . . . 93 ILE N . 19830 1 stop_ save_