data_19533 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19533 _Entry.Title ; Solution Structure of NusE (S10) from Thermotoga maritima ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-10-01 _Entry.Accession_date 2013-10-01 _Entry.Last_release_date 2013-11-04 _Entry.Original_release_date 2013-11-04 _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 Johanna Droegemueller . . . 19533 2 Kristian Schweimer . . . 19533 3 Paul Roesch . . . 19533 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19533 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Transcription . 19533 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19533 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 316 19533 '15N chemical shifts' 68 19533 '1H chemical shifts' 516 19533 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 . . 2013-11-04 2013-10-01 original author . 19533 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19533 _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 'Solution Structure of NusE from Thermotoga maritima' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 Johanna Droegemueller . . . 19533 1 2 Kristian Schweimer . . . 19533 1 3 Paul Roesch . . . 19533 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19533 _Assembly.ID 1 _Assembly.Name 'NusE (S10) from Thermotoga maritima' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'NusE (S10) from Thermotoga maritima' 1 $entity A . yes native no no . . . 19533 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19533 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SMGGQKIRIKLKAYDHELLD ESAKKIVEVAKSTNSKVSGP IPLPTESRVHKRLIDIIDPS PKTIDALMRINLPAGVDVEI KL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; construct used for structure determination: Ser1-Met2:Glu46-Ser47-Arg88_Leu88 Ser1 (cloning artefact from protease cleveage site) Met2:Glu46 (corresponds to Met1:Glu45 of wild type sequence Ser47 (replacement of ribosomal binding loop) Arg48:Leu82 (corresponds to Arg68:Leu102 of wild type sequence) ; _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 82 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'Replacement of ribosomal binding loop (wild type sequence region 46-67) by a single serine to improve solubility and stability' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9043.727 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 2MEW . "Solution Structure Of Nuse (s10) From Thermotoga Maritima" . . . . . 100.00 82 100.00 100.00 2.93e-49 . . . . 19533 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 . SER . 19533 1 2 . MET . 19533 1 3 . GLY . 19533 1 4 . GLY . 19533 1 5 . GLN . 19533 1 6 . LYS . 19533 1 7 . ILE . 19533 1 8 . ARG . 19533 1 9 . ILE . 19533 1 10 . LYS . 19533 1 11 . LEU . 19533 1 12 . LYS . 19533 1 13 . ALA . 19533 1 14 . TYR . 19533 1 15 . ASP . 19533 1 16 . HIS . 19533 1 17 . GLU . 19533 1 18 . LEU . 19533 1 19 . LEU . 19533 1 20 . ASP . 19533 1 21 . GLU . 19533 1 22 . SER . 19533 1 23 . ALA . 19533 1 24 . LYS . 19533 1 25 . LYS . 19533 1 26 . ILE . 19533 1 27 . VAL . 19533 1 28 . GLU . 19533 1 29 . VAL . 19533 1 30 . ALA . 19533 1 31 . LYS . 19533 1 32 . SER . 19533 1 33 . THR . 19533 1 34 . ASN . 19533 1 35 . SER . 19533 1 36 . LYS . 19533 1 37 . VAL . 19533 1 38 . SER . 19533 1 39 . GLY . 19533 1 40 . PRO . 19533 1 41 . ILE . 19533 1 42 . PRO . 19533 1 43 . LEU . 19533 1 44 . PRO . 19533 1 45 . THR . 19533 1 46 . GLU . 19533 1 47 . SER . 19533 1 48 . ARG . 19533 1 49 . VAL . 19533 1 50 . HIS . 19533 1 51 . LYS . 19533 1 52 . ARG . 19533 1 53 . LEU . 19533 1 54 . ILE . 19533 1 55 . ASP . 19533 1 56 . ILE . 19533 1 57 . ILE . 19533 1 58 . ASP . 19533 1 59 . PRO . 19533 1 60 . SER . 19533 1 61 . PRO . 19533 1 62 . LYS . 19533 1 63 . THR . 19533 1 64 . ILE . 19533 1 65 . ASP . 19533 1 66 . ALA . 19533 1 67 . LEU . 19533 1 68 . MET . 19533 1 69 . ARG . 19533 1 70 . ILE . 19533 1 71 . ASN . 19533 1 72 . LEU . 19533 1 73 . PRO . 19533 1 74 . ALA . 19533 1 75 . GLY . 19533 1 76 . VAL . 19533 1 77 . ASP . 19533 1 78 . VAL . 19533 1 79 . GLU . 19533 1 80 . ILE . 19533 1 81 . LYS . 19533 1 82 . LEU . 19533 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 . SER 1 1 19533 1 . MET 2 2 19533 1 . GLY 3 3 19533 1 . GLY 4 4 19533 1 . GLN 5 5 19533 1 . LYS 6 6 19533 1 . ILE 7 7 19533 1 . ARG 8 8 19533 1 . ILE 9 9 19533 1 . LYS 10 10 19533 1 . LEU 11 11 19533 1 . LYS 12 12 19533 1 . ALA 13 13 19533 1 . TYR 14 14 19533 1 . ASP 15 15 19533 1 . HIS 16 16 19533 1 . GLU 17 17 19533 1 . LEU 18 18 19533 1 . LEU 19 19 19533 1 . ASP 20 20 19533 1 . GLU 21 21 19533 1 . SER 22 22 19533 1 . ALA 23 23 19533 1 . LYS 24 24 19533 1 . LYS 25 25 19533 1 . ILE 26 26 19533 1 . VAL 27 27 19533 1 . GLU 28 28 19533 1 . VAL 29 29 19533 1 . ALA 30 30 19533 1 . LYS 31 31 19533 1 . SER 32 32 19533 1 . THR 33 33 19533 1 . ASN 34 34 19533 1 . SER 35 35 19533 1 . LYS 36 36 19533 1 . VAL 37 37 19533 1 . SER 38 38 19533 1 . GLY 39 39 19533 1 . PRO 40 40 19533 1 . ILE 41 41 19533 1 . PRO 42 42 19533 1 . LEU 43 43 19533 1 . PRO 44 44 19533 1 . THR 45 45 19533 1 . GLU 46 46 19533 1 . SER 47 47 19533 1 . ARG 48 48 19533 1 . VAL 49 49 19533 1 . HIS 50 50 19533 1 . LYS 51 51 19533 1 . ARG 52 52 19533 1 . LEU 53 53 19533 1 . ILE 54 54 19533 1 . ASP 55 55 19533 1 . ILE 56 56 19533 1 . ILE 57 57 19533 1 . ASP 58 58 19533 1 . PRO 59 59 19533 1 . SER 60 60 19533 1 . PRO 61 61 19533 1 . LYS 62 62 19533 1 . THR 63 63 19533 1 . ILE 64 64 19533 1 . ASP 65 65 19533 1 . ALA 66 66 19533 1 . LEU 67 67 19533 1 . MET 68 68 19533 1 . ARG 69 69 19533 1 . ILE 70 70 19533 1 . ASN 71 71 19533 1 . LEU 72 72 19533 1 . PRO 73 73 19533 1 . ALA 74 74 19533 1 . GLY 75 75 19533 1 . VAL 76 76 19533 1 . ASP 77 77 19533 1 . VAL 78 78 19533 1 . GLU 79 79 19533 1 . ILE 80 80 19533 1 . LYS 81 81 19533 1 . LEU 82 82 19533 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 19533 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 2336 organism . 'Thermotoga maritima' 'Thermotoga maritima' . . Bacteria . Thermotoga maritima . . . . . . . . . . . . . . . . . . 'AS (1-45)-Ser-(68-102)' . . 19533 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 19533 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET29b . . . . . . 19533 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19533 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '25 mM HEPES, 50 mM NaCl, pH 7.5' _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 entity '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 0.9 . . mM . . . . 19533 1 2 HEPES 'natural abundance' . . . . . . 25 . . mM . . . . 19533 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19533 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 19533 _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 7.5 . pH 19533 1 pressure 1 . atm 19533 1 temperature 323 . K 19533 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19533 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19533 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19533 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19533 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 19533 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19533 2 'peak picking' 19533 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_AV800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode AV800 _NMR_spectrometer.Entry_ID 19533 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equipped with CryoProbe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_AV601 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode AV601 _NMR_spectrometer.Entry_ID 19533 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19533 _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 AV800 Bruker Avance . 800 'equipped with CryoProbe' . . 19533 1 2 AV601 Bruker Avance . 600 . . . 19533 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 19533 _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 $AV800 . . . . . . . . . . . . . . . . 19533 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV800 . . . . . . . . . . . . . . . . 19533 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV800 . . . . . . . . . . . . . . . . 19533 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV800 . . . . . . . . . . . . . . . . 19533 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV800 . . . . . . . . . . . . . . . . 19533 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV800 . . . . . . . . . . . . . . . . 19533 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV800 . . . . . . . . . . . . . . . . 19533 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $AV601 . . . . . . . . . . . . . . . . 19533 1 9 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $AV601 . . . . . . . . . . . . . . . . 19533 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV800 . . . . . . . . . . . . . . . . 19533 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV800 . . . . . . . . . . . . . . . . 19533 1 12 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV800 . . . . . . . . . . . . . . . . 19533 1 13 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV800 . . . . . . . . . . . . . . . . 19533 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 19533 _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 na indirect 0.251449530 . . . . . . . . . 19533 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19533 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19533 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 19533 _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' . . . 19533 1 2 '3D HNCO' . . . 19533 1 8 '3D HCCH-TOCSY' . . . 19533 1 9 '3D CCH-TOCSY' . . . 19533 1 12 '2D 1H-13C HSQC aliphatic' . . . 19533 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 SER HA H 1 4.55 0.03 . 1 . . . . 1 SER HA . 19533 1 2 . 1 1 1 1 SER HB2 H 1 3.91 0.03 . 2 . . . . 1 SER HB2 . 19533 1 3 . 1 1 1 1 SER HB3 H 1 3.87 0.03 . 2 . . . . 1 SER HB3 . 19533 1 4 . 1 1 1 1 SER CA C 13 58.55 0.20 . 1 . . . . 1 SER CA . 19533 1 5 . 1 1 1 1 SER CB C 13 64.20 0.20 . 1 . . . . 1 SER CB . 19533 1 6 . 1 1 3 3 GLY HA2 H 1 3.96 0.03 . 2 . . . A 3 GLY HA2 . 19533 1 7 . 1 1 3 3 GLY HA3 H 1 3.96 0.03 . 2 . . . A 3 GLY HA3 . 19533 1 8 . 1 1 3 3 GLY C C 13 174.40 0.20 . 1 . . . A 3 GLY C . 19533 1 9 . 1 1 3 3 GLY CA C 13 45.57 0.20 . 1 . . . A 3 GLY CA . 19533 1 10 . 1 1 4 4 GLY H H 1 8.38 0.03 . 1 . . . A 4 GLY H . 19533 1 11 . 1 1 4 4 GLY HA2 H 1 3.94 0.03 . 2 . . . A 4 GLY HA2 . 19533 1 12 . 1 1 4 4 GLY HA3 H 1 4.01 0.03 . 2 . . . A 4 GLY HA3 . 19533 1 13 . 1 1 4 4 GLY C C 13 174.07 0.20 . 1 . . . A 4 GLY C . 19533 1 14 . 1 1 4 4 GLY CA C 13 45.41 0.20 . 1 . . . A 4 GLY CA . 19533 1 15 . 1 1 4 4 GLY N N 15 109.11 0.20 . 1 . . . A 4 GLY N . 19533 1 16 . 1 1 5 5 GLN H H 1 8.28 0.03 . 1 . . . A 5 GLN H . 19533 1 17 . 1 1 5 5 GLN HA H 1 4.47 0.03 . 1 . . . A 5 GLN HA . 19533 1 18 . 1 1 5 5 GLN HB2 H 1 2.05 0.03 . 2 . . . A 5 GLN HB2 . 19533 1 19 . 1 1 5 5 GLN HB3 H 1 2.16 0.03 . 2 . . . A 5 GLN HB3 . 19533 1 20 . 1 1 5 5 GLN HG2 H 1 2.33 0.03 . 2 . . . A 5 GLN HG2 . 19533 1 21 . 1 1 5 5 GLN HG3 H 1 2.37 0.03 . 2 . . . A 5 GLN HG3 . 19533 1 22 . 1 1 5 5 GLN HE21 H 1 7.50 0.03 . 1 . . . A 5 GLN HE21 . 19533 1 23 . 1 1 5 5 GLN HE22 H 1 6.71 0.03 . 1 . . . A 5 GLN HE22 . 19533 1 24 . 1 1 5 5 GLN C C 13 174.98 0.20 . 1 . . . A 5 GLN C . 19533 1 25 . 1 1 5 5 GLN CA C 13 56.30 0.20 . 1 . . . A 5 GLN CA . 19533 1 26 . 1 1 5 5 GLN CB C 13 30.08 0.20 . 1 . . . A 5 GLN CB . 19533 1 27 . 1 1 5 5 GLN CG C 13 34.25 0.20 . 1 . . . A 5 GLN CG . 19533 1 28 . 1 1 5 5 GLN N N 15 119.81 0.20 . 1 . . . A 5 GLN N . 19533 1 29 . 1 1 5 5 GLN NE2 N 15 111.38 0.20 . 1 . . . A 5 GLN NE2 . 19533 1 30 . 1 1 6 6 LYS H H 1 8.08 0.03 . 1 . . . A 6 LYS H . 19533 1 31 . 1 1 6 6 LYS HA H 1 5.08 0.03 . 1 . . . A 6 LYS HA . 19533 1 32 . 1 1 6 6 LYS HB2 H 1 1.63 0.03 . 2 . . . A 6 LYS HB2 . 19533 1 33 . 1 1 6 6 LYS HB3 H 1 1.71 0.03 . 2 . . . A 6 LYS HB3 . 19533 1 34 . 1 1 6 6 LYS HG2 H 1 1.31 0.03 . 2 . . . A 6 LYS HG2 . 19533 1 35 . 1 1 6 6 LYS HG3 H 1 1.31 0.03 . 2 . . . A 6 LYS HG3 . 19533 1 36 . 1 1 6 6 LYS HD2 H 1 1.52 0.03 . 2 . . . A 6 LYS HD2 . 19533 1 37 . 1 1 6 6 LYS HD3 H 1 1.52 0.03 . 2 . . . A 6 LYS HD3 . 19533 1 38 . 1 1 6 6 LYS HE2 H 1 2.84 0.03 . 2 . . . A 6 LYS HE2 . 19533 1 39 . 1 1 6 6 LYS HE3 H 1 2.84 0.03 . 2 . . . A 6 LYS HE3 . 19533 1 40 . 1 1 6 6 LYS C C 13 175.11 0.20 . 1 . . . A 6 LYS C . 19533 1 41 . 1 1 6 6 LYS CA C 13 55.33 0.20 . 1 . . . A 6 LYS CA . 19533 1 42 . 1 1 6 6 LYS CB C 13 35.45 0.20 . 1 . . . A 6 LYS CB . 19533 1 43 . 1 1 6 6 LYS CG C 13 24.22 0.20 . 1 . . . A 6 LYS CG . 19533 1 44 . 1 1 6 6 LYS CD C 13 29.60 0.20 . 1 . . . A 6 LYS CD . 19533 1 45 . 1 1 6 6 LYS CE C 13 41.80 0.20 . 1 . . . A 6 LYS CE . 19533 1 46 . 1 1 6 6 LYS N N 15 120.24 0.20 . 1 . . . A 6 LYS N . 19533 1 47 . 1 1 7 7 ILE H H 1 8.77 0.03 . 1 . . . A 7 ILE H . 19533 1 48 . 1 1 7 7 ILE HA H 1 4.54 0.03 . 1 . . . A 7 ILE HA . 19533 1 49 . 1 1 7 7 ILE HB H 1 1.63 0.03 . 1 . . . A 7 ILE HB . 19533 1 50 . 1 1 7 7 ILE HG12 H 1 1.02 0.03 . 2 . . . A 7 ILE HG12 . 19533 1 51 . 1 1 7 7 ILE HG13 H 1 1.48 0.03 . 2 . . . A 7 ILE HG13 . 19533 1 52 . 1 1 7 7 ILE HG21 H 1 0.78 0.03 . 1 . . . A 7 ILE HG21 . 19533 1 53 . 1 1 7 7 ILE HG22 H 1 0.78 0.03 . 1 . . . A 7 ILE HG22 . 19533 1 54 . 1 1 7 7 ILE HG23 H 1 0.78 0.03 . 1 . . . A 7 ILE HG23 . 19533 1 55 . 1 1 7 7 ILE HD11 H 1 0.67 0.03 . 1 . . . A 7 ILE HD11 . 19533 1 56 . 1 1 7 7 ILE HD12 H 1 0.67 0.03 . 1 . . . A 7 ILE HD12 . 19533 1 57 . 1 1 7 7 ILE HD13 H 1 0.67 0.03 . 1 . . . A 7 ILE HD13 . 19533 1 58 . 1 1 7 7 ILE C C 13 173.88 0.20 . 1 . . . A 7 ILE C . 19533 1 59 . 1 1 7 7 ILE CA C 13 60.52 0.20 . 1 . . . A 7 ILE CA . 19533 1 60 . 1 1 7 7 ILE CB C 13 40.83 0.20 . 1 . . . A 7 ILE CB . 19533 1 61 . 1 1 7 7 ILE CG1 C 13 27.30 0.20 . 1 . . . A 7 ILE CG1 . 19533 1 62 . 1 1 7 7 ILE CG2 C 13 17.75 0.20 . 1 . . . A 7 ILE CG2 . 19533 1 63 . 1 1 7 7 ILE CD1 C 13 13.75 0.20 . 1 . . . A 7 ILE CD1 . 19533 1 64 . 1 1 7 7 ILE N N 15 120.69 0.20 . 1 . . . A 7 ILE N . 19533 1 65 . 1 1 8 8 ARG H H 1 8.48 0.03 . 1 . . . A 8 ARG H . 19533 1 66 . 1 1 8 8 ARG HA H 1 5.33 0.03 . 1 . . . A 8 ARG HA . 19533 1 67 . 1 1 8 8 ARG HB2 H 1 1.80 0.03 . 2 . . . A 8 ARG HB2 . 19533 1 68 . 1 1 8 8 ARG HB3 H 1 1.80 0.03 . 2 . . . A 8 ARG HB3 . 19533 1 69 . 1 1 8 8 ARG HG2 H 1 1.53 0.03 . 2 . . . A 8 ARG HG2 . 19533 1 70 . 1 1 8 8 ARG HG3 H 1 1.53 0.03 . 2 . . . A 8 ARG HG3 . 19533 1 71 . 1 1 8 8 ARG HD2 H 1 3.05 0.03 . 2 . . . A 8 ARG HD2 . 19533 1 72 . 1 1 8 8 ARG HD3 H 1 3.05 0.03 . 2 . . . A 8 ARG HD3 . 19533 1 73 . 1 1 8 8 ARG C C 13 174.69 0.20 . 1 . . . A 8 ARG C . 19533 1 74 . 1 1 8 8 ARG CA C 13 55.07 0.20 . 1 . . . A 8 ARG CA . 19533 1 75 . 1 1 8 8 ARG CB C 13 32.37 0.20 . 1 . . . A 8 ARG CB . 19533 1 76 . 1 1 8 8 ARG CG C 13 25.89 0.20 . 1 . . . A 8 ARG CG . 19533 1 77 . 1 1 8 8 ARG CD C 13 43.45 0.20 . 1 . . . A 8 ARG CD . 19533 1 78 . 1 1 8 8 ARG N N 15 127.06 0.20 . 1 . . . A 8 ARG N . 19533 1 79 . 1 1 9 9 ILE H H 1 9.54 0.03 . 1 . . . A 9 ILE H . 19533 1 80 . 1 1 9 9 ILE HA H 1 4.80 0.03 . 1 . . . A 9 ILE HA . 19533 1 81 . 1 1 9 9 ILE HB H 1 1.93 0.03 . 1 . . . A 9 ILE HB . 19533 1 82 . 1 1 9 9 ILE HG12 H 1 1.53 0.03 . 2 . . . A 9 ILE HG12 . 19533 1 83 . 1 1 9 9 ILE HG13 H 1 1.53 0.03 . 2 . . . A 9 ILE HG13 . 19533 1 84 . 1 1 9 9 ILE HG21 H 1 0.74 0.03 . 1 . . . A 9 ILE HG21 . 19533 1 85 . 1 1 9 9 ILE HG22 H 1 0.74 0.03 . 1 . . . A 9 ILE HG22 . 19533 1 86 . 1 1 9 9 ILE HG23 H 1 0.74 0.03 . 1 . . . A 9 ILE HG23 . 19533 1 87 . 1 1 9 9 ILE HD11 H 1 0.71 0.03 . 1 . . . A 9 ILE HD11 . 19533 1 88 . 1 1 9 9 ILE HD12 H 1 0.71 0.03 . 1 . . . A 9 ILE HD12 . 19533 1 89 . 1 1 9 9 ILE HD13 H 1 0.71 0.03 . 1 . . . A 9 ILE HD13 . 19533 1 90 . 1 1 9 9 ILE C C 13 174.38 0.20 . 1 . . . A 9 ILE C . 19533 1 91 . 1 1 9 9 ILE CA C 13 60.24 0.20 . 1 . . . A 9 ILE CA . 19533 1 92 . 1 1 9 9 ILE CB C 13 39.86 0.20 . 1 . . . A 9 ILE CB . 19533 1 93 . 1 1 9 9 ILE CG1 C 13 27.82 0.20 . 1 . . . A 9 ILE CG1 . 19533 1 94 . 1 1 9 9 ILE CG2 C 13 17.99 0.20 . 1 . . . A 9 ILE CG2 . 19533 1 95 . 1 1 9 9 ILE CD1 C 13 14.68 0.20 . 1 . . . A 9 ILE CD1 . 19533 1 96 . 1 1 9 9 ILE N N 15 127.67 0.20 . 1 . . . A 9 ILE N . 19533 1 97 . 1 1 10 10 LYS H H 1 9.05 0.03 . 1 . . . A 10 LYS H . 19533 1 98 . 1 1 10 10 LYS HA H 1 5.22 0.03 . 1 . . . A 10 LYS HA . 19533 1 99 . 1 1 10 10 LYS HB2 H 1 1.63 0.03 . 2 . . . A 10 LYS HB2 . 19533 1 100 . 1 1 10 10 LYS HB3 H 1 1.75 0.03 . 2 . . . A 10 LYS HB3 . 19533 1 101 . 1 1 10 10 LYS HG2 H 1 1.22 0.03 . 2 . . . A 10 LYS HG2 . 19533 1 102 . 1 1 10 10 LYS HG3 H 1 1.22 0.03 . 2 . . . A 10 LYS HG3 . 19533 1 103 . 1 1 10 10 LYS HD2 H 1 1.57 0.03 . 2 . . . A 10 LYS HD2 . 19533 1 104 . 1 1 10 10 LYS HD3 H 1 1.57 0.03 . 2 . . . A 10 LYS HD3 . 19533 1 105 . 1 1 10 10 LYS C C 13 175.13 0.20 . 1 . . . A 10 LYS C . 19533 1 106 . 1 1 10 10 LYS CA C 13 54.76 0.20 . 1 . . . A 10 LYS CA . 19533 1 107 . 1 1 10 10 LYS CB C 13 34.94 0.20 . 1 . . . A 10 LYS CB . 19533 1 108 . 1 1 10 10 LYS CG C 13 25.08 0.20 . 1 . . . A 10 LYS CG . 19533 1 109 . 1 1 10 10 LYS CD C 13 29.86 0.20 . 1 . . . A 10 LYS CD . 19533 1 110 . 1 1 10 10 LYS CE C 13 41.75 0.20 . 1 . . . A 10 LYS CE . 19533 1 111 . 1 1 10 10 LYS N N 15 127.24 0.20 . 1 . . . A 10 LYS N . 19533 1 112 . 1 1 11 11 LEU H H 1 8.79 0.03 . 1 . . . A 11 LEU H . 19533 1 113 . 1 1 11 11 LEU HA H 1 5.45 0.03 . 1 . . . A 11 LEU HA . 19533 1 114 . 1 1 11 11 LEU HB2 H 1 1.28 0.03 . 2 . . . A 11 LEU HB2 . 19533 1 115 . 1 1 11 11 LEU HB3 H 1 1.37 0.03 . 2 . . . A 11 LEU HB3 . 19533 1 116 . 1 1 11 11 LEU HD11 H 1 0.81 0.03 . 2 . . . A 11 LEU HD11 . 19533 1 117 . 1 1 11 11 LEU HD12 H 1 0.81 0.03 . 2 . . . A 11 LEU HD12 . 19533 1 118 . 1 1 11 11 LEU HD13 H 1 0.81 0.03 . 2 . . . A 11 LEU HD13 . 19533 1 119 . 1 1 11 11 LEU HD21 H 1 0.68 0.03 . 2 . . . A 11 LEU HD21 . 19533 1 120 . 1 1 11 11 LEU HD22 H 1 0.68 0.03 . 2 . . . A 11 LEU HD22 . 19533 1 121 . 1 1 11 11 LEU HD23 H 1 0.68 0.03 . 2 . . . A 11 LEU HD23 . 19533 1 122 . 1 1 11 11 LEU C C 13 176.00 0.20 . 1 . . . A 11 LEU C . 19533 1 123 . 1 1 11 11 LEU CA C 13 53.32 0.20 . 1 . . . A 11 LEU CA . 19533 1 124 . 1 1 11 11 LEU CB C 13 46.96 0.20 . 1 . . . A 11 LEU CB . 19533 1 125 . 1 1 11 11 LEU CD1 C 13 26.04 0.20 . 2 . . . A 11 LEU CD1 . 19533 1 126 . 1 1 11 11 LEU CD2 C 13 26.38 0.20 . 2 . . . A 11 LEU CD2 . 19533 1 127 . 1 1 11 11 LEU N N 15 124.48 0.20 . 1 . . . A 11 LEU N . 19533 1 128 . 1 1 12 12 LYS H H 1 8.55 0.03 . 1 . . . A 12 LYS H . 19533 1 129 . 1 1 12 12 LYS HA H 1 5.57 0.03 . 1 . . . A 12 LYS HA . 19533 1 130 . 1 1 12 12 LYS HB2 H 1 1.65 0.03 . 2 . . . A 12 LYS HB2 . 19533 1 131 . 1 1 12 12 LYS HB3 H 1 1.65 0.03 . 2 . . . A 12 LYS HB3 . 19533 1 132 . 1 1 12 12 LYS HG2 H 1 1.30 0.03 . 2 . . . A 12 LYS HG2 . 19533 1 133 . 1 1 12 12 LYS HG3 H 1 1.30 0.03 . 2 . . . A 12 LYS HG3 . 19533 1 134 . 1 1 12 12 LYS HD2 H 1 1.53 0.03 . 2 . . . A 12 LYS HD2 . 19533 1 135 . 1 1 12 12 LYS HD3 H 1 1.53 0.03 . 2 . . . A 12 LYS HD3 . 19533 1 136 . 1 1 12 12 LYS HE2 H 1 2.79 0.03 . 2 . . . A 12 LYS HE2 . 19533 1 137 . 1 1 12 12 LYS HE3 H 1 2.84 0.03 . 2 . . . A 12 LYS HE3 . 19533 1 138 . 1 1 12 12 LYS C C 13 174.61 0.20 . 1 . . . A 12 LYS C . 19533 1 139 . 1 1 12 12 LYS CA C 13 54.60 0.20 . 1 . . . A 12 LYS CA . 19533 1 140 . 1 1 12 12 LYS CB C 13 36.48 0.20 . 1 . . . A 12 LYS CB . 19533 1 141 . 1 1 12 12 LYS CG C 13 24.38 0.20 . 1 . . . A 12 LYS CG . 19533 1 142 . 1 1 12 12 LYS CD C 13 29.80 0.20 . 1 . . . A 12 LYS CD . 19533 1 143 . 1 1 12 12 LYS CE C 13 42.00 0.20 . 1 . . . A 12 LYS CE . 19533 1 144 . 1 1 12 12 LYS N N 15 119.69 0.20 . 1 . . . A 12 LYS N . 19533 1 145 . 1 1 13 13 ALA H H 1 8.74 0.03 . 1 . . . A 13 ALA H . 19533 1 146 . 1 1 13 13 ALA HA H 1 4.72 0.03 . 1 . . . A 13 ALA HA . 19533 1 147 . 1 1 13 13 ALA HB1 H 1 1.55 0.03 . 1 . . . A 13 ALA HB1 . 19533 1 148 . 1 1 13 13 ALA HB2 H 1 1.55 0.03 . 1 . . . A 13 ALA HB2 . 19533 1 149 . 1 1 13 13 ALA HB3 H 1 1.55 0.03 . 1 . . . A 13 ALA HB3 . 19533 1 150 . 1 1 13 13 ALA C C 13 176.12 0.20 . 1 . . . A 13 ALA C . 19533 1 151 . 1 1 13 13 ALA CA C 13 52.23 0.20 . 1 . . . A 13 ALA CA . 19533 1 152 . 1 1 13 13 ALA CB C 13 24.78 0.20 . 1 . . . A 13 ALA CB . 19533 1 153 . 1 1 13 13 ALA N N 15 120.78 0.20 . 1 . . . A 13 ALA N . 19533 1 154 . 1 1 14 14 TYR H H 1 8.67 0.03 . 1 . . . A 14 TYR H . 19533 1 155 . 1 1 14 14 TYR HA H 1 4.92 0.03 . 1 . . . A 14 TYR HA . 19533 1 156 . 1 1 14 14 TYR HB2 H 1 2.86 0.03 . 2 . . . A 14 TYR HB2 . 19533 1 157 . 1 1 14 14 TYR HB3 H 1 3.27 0.03 . 2 . . . A 14 TYR HB3 . 19533 1 158 . 1 1 14 14 TYR HD1 H 1 7.26 0.03 . 1 . . . A 14 TYR HD1 . 19533 1 159 . 1 1 14 14 TYR HD2 H 1 7.26 0.03 . 1 . . . A 14 TYR HD2 . 19533 1 160 . 1 1 14 14 TYR HE1 H 1 6.82 0.03 . 1 . . . A 14 TYR HE1 . 19533 1 161 . 1 1 14 14 TYR HE2 H 1 6.82 0.03 . 1 . . . A 14 TYR HE2 . 19533 1 162 . 1 1 14 14 TYR C C 13 175.96 0.20 . 1 . . . A 14 TYR C . 19533 1 163 . 1 1 14 14 TYR CA C 13 59.79 0.20 . 1 . . . A 14 TYR CA . 19533 1 164 . 1 1 14 14 TYR CB C 13 38.84 0.20 . 1 . . . A 14 TYR CB . 19533 1 165 . 1 1 14 14 TYR N N 15 117.81 0.20 . 1 . . . A 14 TYR N . 19533 1 166 . 1 1 15 15 ASP H H 1 7.39 0.03 . 1 . . . A 15 ASP H . 19533 1 167 . 1 1 15 15 ASP HA H 1 4.89 0.03 . 1 . . . A 15 ASP HA . 19533 1 168 . 1 1 15 15 ASP HB2 H 1 2.53 0.03 . 2 . . . A 15 ASP HB2 . 19533 1 169 . 1 1 15 15 ASP HB3 H 1 2.84 0.03 . 2 . . . A 15 ASP HB3 . 19533 1 170 . 1 1 15 15 ASP C C 13 175.98 0.20 . 1 . . . A 15 ASP C . 19533 1 171 . 1 1 15 15 ASP CA C 13 52.83 0.20 . 1 . . . A 15 ASP CA . 19533 1 172 . 1 1 15 15 ASP CB C 13 42.42 0.20 . 1 . . . A 15 ASP CB . 19533 1 173 . 1 1 15 15 ASP N N 15 118.65 0.20 . 1 . . . A 15 ASP N . 19533 1 174 . 1 1 16 16 HIS H H 1 8.19 0.03 . 1 . . . A 16 HIS H . 19533 1 175 . 1 1 16 16 HIS HA H 1 3.83 0.03 . 1 . . . A 16 HIS HA . 19533 1 176 . 1 1 16 16 HIS HB2 H 1 2.10 0.03 . 2 . . . A 16 HIS HB2 . 19533 1 177 . 1 1 16 16 HIS HB3 H 1 2.72 0.03 . 2 . . . A 16 HIS HB3 . 19533 1 178 . 1 1 16 16 HIS HD2 H 1 6.83 0.03 . 1 . . . A 16 HIS HD2 . 19533 1 179 . 1 1 16 16 HIS C C 13 176.00 0.20 . 1 . . . A 16 HIS C . 19533 1 180 . 1 1 16 16 HIS CA C 13 59.19 0.20 . 1 . . . A 16 HIS CA . 19533 1 181 . 1 1 16 16 HIS CB C 13 29.03 0.20 . 1 . . . A 16 HIS CB . 19533 1 182 . 1 1 16 16 HIS N N 15 124.08 0.20 . 1 . . . A 16 HIS N . 19533 1 183 . 1 1 17 17 GLU H H 1 7.74 0.03 . 1 . . . A 17 GLU H . 19533 1 184 . 1 1 17 17 GLU HA H 1 4.04 0.03 . 1 . . . A 17 GLU HA . 19533 1 185 . 1 1 17 17 GLU HB2 H 1 1.92 0.03 . 2 . . . A 17 GLU HB2 . 19533 1 186 . 1 1 17 17 GLU HB3 H 1 1.92 0.03 . 2 . . . A 17 GLU HB3 . 19533 1 187 . 1 1 17 17 GLU HG2 H 1 1.97 0.03 . 2 . . . A 17 GLU HG2 . 19533 1 188 . 1 1 17 17 GLU HG3 H 1 1.97 0.03 . 2 . . . A 17 GLU HG3 . 19533 1 189 . 1 1 17 17 GLU C C 13 179.54 0.20 . 1 . . . A 17 GLU C . 19533 1 190 . 1 1 17 17 GLU CA C 13 59.52 0.20 . 1 . . . A 17 GLU CA . 19533 1 191 . 1 1 17 17 GLU CB C 13 29.02 0.20 . 1 . . . A 17 GLU CB . 19533 1 192 . 1 1 17 17 GLU CG C 13 36.72 0.20 . 1 . . . A 17 GLU CG . 19533 1 193 . 1 1 17 17 GLU N N 15 121.83 0.20 . 1 . . . A 17 GLU N . 19533 1 194 . 1 1 18 18 LEU H H 1 7.51 0.03 . 1 . . . A 18 LEU H . 19533 1 195 . 1 1 18 18 LEU HA H 1 4.03 0.03 . 1 . . . A 18 LEU HA . 19533 1 196 . 1 1 18 18 LEU HB2 H 1 1.41 0.03 . 2 . . . A 18 LEU HB2 . 19533 1 197 . 1 1 18 18 LEU HB3 H 1 1.54 0.03 . 2 . . . A 18 LEU HB3 . 19533 1 198 . 1 1 18 18 LEU HG H 1 1.50 0.03 . 1 . . . A 18 LEU HG . 19533 1 199 . 1 1 18 18 LEU HD11 H 1 0.90 0.03 . 2 . . . A 18 LEU HD11 . 19533 1 200 . 1 1 18 18 LEU HD12 H 1 0.90 0.03 . 2 . . . A 18 LEU HD12 . 19533 1 201 . 1 1 18 18 LEU HD13 H 1 0.90 0.03 . 2 . . . A 18 LEU HD13 . 19533 1 202 . 1 1 18 18 LEU HD21 H 1 0.84 0.03 . 2 . . . A 18 LEU HD21 . 19533 1 203 . 1 1 18 18 LEU HD22 H 1 0.84 0.03 . 2 . . . A 18 LEU HD22 . 19533 1 204 . 1 1 18 18 LEU HD23 H 1 0.84 0.03 . 2 . . . A 18 LEU HD23 . 19533 1 205 . 1 1 18 18 LEU C C 13 180.60 0.20 . 1 . . . A 18 LEU C . 19533 1 206 . 1 1 18 18 LEU CA C 13 57.05 0.20 . 1 . . . A 18 LEU CA . 19533 1 207 . 1 1 18 18 LEU CB C 13 42.39 0.20 . 1 . . . A 18 LEU CB . 19533 1 208 . 1 1 18 18 LEU CG C 13 27.05 0.20 . 1 . . . A 18 LEU CG . 19533 1 209 . 1 1 18 18 LEU CD1 C 13 24.31 0.20 . 2 . . . A 18 LEU CD1 . 19533 1 210 . 1 1 18 18 LEU CD2 C 13 24.31 0.20 . 2 . . . A 18 LEU CD2 . 19533 1 211 . 1 1 18 18 LEU N N 15 121.12 0.20 . 1 . . . A 18 LEU N . 19533 1 212 . 1 1 19 19 LEU H H 1 7.78 0.03 . 1 . . . A 19 LEU H . 19533 1 213 . 1 1 19 19 LEU HA H 1 3.75 0.03 . 1 . . . A 19 LEU HA . 19533 1 214 . 1 1 19 19 LEU HB2 H 1 1.52 0.03 . 2 . . . A 19 LEU HB2 . 19533 1 215 . 1 1 19 19 LEU HB3 H 1 1.94 0.03 . 2 . . . A 19 LEU HB3 . 19533 1 216 . 1 1 19 19 LEU HG H 1 1.37 0.03 . 1 . . . A 19 LEU HG . 19533 1 217 . 1 1 19 19 LEU HD11 H 1 0.69 0.03 . 2 . . . A 19 LEU HD11 . 19533 1 218 . 1 1 19 19 LEU HD12 H 1 0.69 0.03 . 2 . . . A 19 LEU HD12 . 19533 1 219 . 1 1 19 19 LEU HD13 H 1 0.69 0.03 . 2 . . . A 19 LEU HD13 . 19533 1 220 . 1 1 19 19 LEU C C 13 177.58 0.20 . 1 . . . A 19 LEU C . 19533 1 221 . 1 1 19 19 LEU CA C 13 57.95 0.20 . 1 . . . A 19 LEU CA . 19533 1 222 . 1 1 19 19 LEU CB C 13 42.10 0.20 . 1 . . . A 19 LEU CB . 19533 1 223 . 1 1 19 19 LEU CG C 13 27.39 0.20 . 1 . . . A 19 LEU CG . 19533 1 224 . 1 1 19 19 LEU CD1 C 13 24.50 0.20 . 2 . . . A 19 LEU CD1 . 19533 1 225 . 1 1 19 19 LEU N N 15 121.19 0.20 . 1 . . . A 19 LEU N . 19533 1 226 . 1 1 20 20 ASP H H 1 8.15 0.03 . 1 . . . A 20 ASP H . 19533 1 227 . 1 1 20 20 ASP HA H 1 4.49 0.03 . 1 . . . A 20 ASP HA . 19533 1 228 . 1 1 20 20 ASP HB2 H 1 2.64 0.03 . 2 . . . A 20 ASP HB2 . 19533 1 229 . 1 1 20 20 ASP HB3 H 1 2.72 0.03 . 2 . . . A 20 ASP HB3 . 19533 1 230 . 1 1 20 20 ASP C C 13 179.45 0.20 . 1 . . . A 20 ASP C . 19533 1 231 . 1 1 20 20 ASP CA C 13 58.07 0.20 . 1 . . . A 20 ASP CA . 19533 1 232 . 1 1 20 20 ASP CB C 13 40.13 0.20 . 1 . . . A 20 ASP CB . 19533 1 233 . 1 1 20 20 ASP N N 15 119.75 0.20 . 1 . . . A 20 ASP N . 19533 1 234 . 1 1 21 21 GLU H H 1 8.05 0.03 . 1 . . . A 21 GLU H . 19533 1 235 . 1 1 21 21 GLU HA H 1 4.08 0.03 . 1 . . . A 21 GLU HA . 19533 1 236 . 1 1 21 21 GLU HB2 H 1 2.04 0.03 . 2 . . . A 21 GLU HB2 . 19533 1 237 . 1 1 21 21 GLU HB3 H 1 2.12 0.03 . 2 . . . A 21 GLU HB3 . 19533 1 238 . 1 1 21 21 GLU C C 13 179.37 0.20 . 1 . . . A 21 GLU C . 19533 1 239 . 1 1 21 21 GLU CA C 13 59.21 0.20 . 1 . . . A 21 GLU CA . 19533 1 240 . 1 1 21 21 GLU CB C 13 29.65 0.20 . 1 . . . A 21 GLU CB . 19533 1 241 . 1 1 21 21 GLU N N 15 120.71 0.20 . 1 . . . A 21 GLU N . 19533 1 242 . 1 1 22 22 SER H H 1 7.95 0.03 . 1 . . . A 22 SER H . 19533 1 243 . 1 1 22 22 SER HA H 1 4.09 0.03 . 1 . . . A 22 SER HA . 19533 1 244 . 1 1 22 22 SER HB2 H 1 3.64 0.03 . 2 . . . A 22 SER HB2 . 19533 1 245 . 1 1 22 22 SER HB3 H 1 3.64 0.03 . 2 . . . A 22 SER HB3 . 19533 1 246 . 1 1 22 22 SER C C 13 175.00 0.20 . 1 . . . A 22 SER C . 19533 1 247 . 1 1 22 22 SER CA C 13 62.90 0.20 . 1 . . . A 22 SER CA . 19533 1 248 . 1 1 22 22 SER CB C 13 62.90 0.20 . 1 . . . A 22 SER CB . 19533 1 249 . 1 1 22 22 SER N N 15 116.15 0.20 . 1 . . . A 22 SER N . 19533 1 250 . 1 1 23 23 ALA H H 1 8.56 0.03 . 1 . . . A 23 ALA H . 19533 1 251 . 1 1 23 23 ALA HA H 1 3.76 0.03 . 1 . . . A 23 ALA HA . 19533 1 252 . 1 1 23 23 ALA HB1 H 1 1.33 0.03 . 1 . . . A 23 ALA HB1 . 19533 1 253 . 1 1 23 23 ALA HB2 H 1 1.33 0.03 . 1 . . . A 23 ALA HB2 . 19533 1 254 . 1 1 23 23 ALA HB3 H 1 1.33 0.03 . 1 . . . A 23 ALA HB3 . 19533 1 255 . 1 1 23 23 ALA C C 13 178.54 0.20 . 1 . . . A 23 ALA C . 19533 1 256 . 1 1 23 23 ALA CA C 13 55.19 0.20 . 1 . . . A 23 ALA CA . 19533 1 257 . 1 1 23 23 ALA CB C 13 17.87 0.20 . 1 . . . A 23 ALA CB . 19533 1 258 . 1 1 23 23 ALA N N 15 123.24 0.20 . 1 . . . A 23 ALA N . 19533 1 259 . 1 1 24 24 LYS H H 1 7.75 0.03 . 1 . . . A 24 LYS H . 19533 1 260 . 1 1 24 24 LYS HA H 1 3.84 0.03 . 1 . . . A 24 LYS HA . 19533 1 261 . 1 1 24 24 LYS HB2 H 1 1.92 0.03 . 2 . . . A 24 LYS HB2 . 19533 1 262 . 1 1 24 24 LYS HB3 H 1 1.92 0.03 . 2 . . . A 24 LYS HB3 . 19533 1 263 . 1 1 24 24 LYS HE2 H 1 2.75 0.03 . 2 . . . A 24 LYS HE2 . 19533 1 264 . 1 1 24 24 LYS HE3 H 1 2.75 0.03 . 2 . . . A 24 LYS HE3 . 19533 1 265 . 1 1 24 24 LYS C C 13 178.72 0.20 . 1 . . . A 24 LYS C . 19533 1 266 . 1 1 24 24 LYS CA C 13 59.94 0.20 . 1 . . . A 24 LYS CA . 19533 1 267 . 1 1 24 24 LYS CB C 13 32.25 0.20 . 1 . . . A 24 LYS CB . 19533 1 268 . 1 1 24 24 LYS CG C 13 25.40 0.20 . 1 . . . A 24 LYS CG . 19533 1 269 . 1 1 24 24 LYS CD C 13 29.50 0.20 . 1 . . . A 24 LYS CD . 19533 1 270 . 1 1 24 24 LYS CE C 13 41.68 0.20 . 1 . . . A 24 LYS CE . 19533 1 271 . 1 1 24 24 LYS N N 15 116.78 0.20 . 1 . . . A 24 LYS N . 19533 1 272 . 1 1 25 25 LYS H H 1 7.58 0.03 . 1 . . . A 25 LYS H . 19533 1 273 . 1 1 25 25 LYS HA H 1 4.04 0.03 . 1 . . . A 25 LYS HA . 19533 1 274 . 1 1 25 25 LYS HB2 H 1 1.98 0.03 . 2 . . . A 25 LYS HB2 . 19533 1 275 . 1 1 25 25 LYS HB3 H 1 1.98 0.03 . 2 . . . A 25 LYS HB3 . 19533 1 276 . 1 1 25 25 LYS HD3 H 1 1.68 0.03 . 2 . . . A 25 LYS HD3 . 19533 1 277 . 1 1 25 25 LYS C C 13 178.72 0.20 . 1 . . . A 25 LYS C . 19533 1 278 . 1 1 25 25 LYS CA C 13 59.00 0.20 . 1 . . . A 25 LYS CA . 19533 1 279 . 1 1 25 25 LYS CB C 13 32.12 0.20 . 1 . . . A 25 LYS CB . 19533 1 280 . 1 1 25 25 LYS CG C 13 25.10 0.20 . 1 . . . A 25 LYS CG . 19533 1 281 . 1 1 25 25 LYS CD C 13 29.03 0.20 . 1 . . . A 25 LYS CD . 19533 1 282 . 1 1 25 25 LYS N N 15 118.95 0.20 . 1 . . . A 25 LYS N . 19533 1 283 . 1 1 26 26 ILE H H 1 7.61 0.03 . 1 . . . A 26 ILE H . 19533 1 284 . 1 1 26 26 ILE HA H 1 3.47 0.03 . 1 . . . A 26 ILE HA . 19533 1 285 . 1 1 26 26 ILE HB H 1 1.97 0.03 . 1 . . . A 26 ILE HB . 19533 1 286 . 1 1 26 26 ILE HG12 H 1 1.06 0.03 . 2 . . . A 26 ILE HG12 . 19533 1 287 . 1 1 26 26 ILE HG13 H 1 1.52 0.03 . 2 . . . A 26 ILE HG13 . 19533 1 288 . 1 1 26 26 ILE HG21 H 1 0.86 0.03 . 1 . . . A 26 ILE HG21 . 19533 1 289 . 1 1 26 26 ILE HG22 H 1 0.86 0.03 . 1 . . . A 26 ILE HG22 . 19533 1 290 . 1 1 26 26 ILE HG23 H 1 0.86 0.03 . 1 . . . A 26 ILE HG23 . 19533 1 291 . 1 1 26 26 ILE HD11 H 1 0.70 0.03 . 1 . . . A 26 ILE HD11 . 19533 1 292 . 1 1 26 26 ILE HD12 H 1 0.70 0.03 . 1 . . . A 26 ILE HD12 . 19533 1 293 . 1 1 26 26 ILE HD13 H 1 0.70 0.03 . 1 . . . A 26 ILE HD13 . 19533 1 294 . 1 1 26 26 ILE CA C 13 65.06 0.20 . 1 . . . A 26 ILE CA . 19533 1 295 . 1 1 26 26 ILE CB C 13 36.72 0.20 . 1 . . . A 26 ILE CB . 19533 1 296 . 1 1 26 26 ILE CG1 C 13 28.90 0.20 . 1 . . . A 26 ILE CG1 . 19533 1 297 . 1 1 26 26 ILE CG2 C 13 17.60 0.20 . 1 . . . A 26 ILE CG2 . 19533 1 298 . 1 1 26 26 ILE CD1 C 13 11.77 0.20 . 1 . . . A 26 ILE CD1 . 19533 1 299 . 1 1 26 26 ILE N N 15 118.31 0.20 . 1 . . . A 26 ILE N . 19533 1 300 . 1 1 27 27 VAL H H 1 7.95 0.03 . 1 . . . A 27 VAL H . 19533 1 301 . 1 1 27 27 VAL HA H 1 3.39 0.03 . 1 . . . A 27 VAL HA . 19533 1 302 . 1 1 27 27 VAL HB H 1 2.20 0.03 . 1 . . . A 27 VAL HB . 19533 1 303 . 1 1 27 27 VAL HG11 H 1 0.95 0.03 . 2 . . . A 27 VAL HG11 . 19533 1 304 . 1 1 27 27 VAL HG12 H 1 0.95 0.03 . 2 . . . A 27 VAL HG12 . 19533 1 305 . 1 1 27 27 VAL HG13 H 1 0.95 0.03 . 2 . . . A 27 VAL HG13 . 19533 1 306 . 1 1 27 27 VAL HG21 H 1 0.94 0.03 . 2 . . . A 27 VAL HG21 . 19533 1 307 . 1 1 27 27 VAL HG22 H 1 0.94 0.03 . 2 . . . A 27 VAL HG22 . 19533 1 308 . 1 1 27 27 VAL HG23 H 1 0.94 0.03 . 2 . . . A 27 VAL HG23 . 19533 1 309 . 1 1 27 27 VAL C C 13 177.55 0.20 . 1 . . . A 27 VAL C . 19533 1 310 . 1 1 27 27 VAL CA C 13 67.63 0.20 . 1 . . . A 27 VAL CA . 19533 1 311 . 1 1 27 27 VAL CB C 13 31.42 0.20 . 1 . . . A 27 VAL CB . 19533 1 312 . 1 1 27 27 VAL CG1 C 13 22.89 0.20 . 2 . . . A 27 VAL CG1 . 19533 1 313 . 1 1 27 27 VAL CG2 C 13 21.45 0.20 . 2 . . . A 27 VAL CG2 . 19533 1 314 . 1 1 27 27 VAL N N 15 118.90 0.20 . 1 . . . A 27 VAL N . 19533 1 315 . 1 1 28 28 GLU H H 1 8.18 0.03 . 1 . . . A 28 GLU H . 19533 1 316 . 1 1 28 28 GLU HA H 1 3.98 0.03 . 1 . . . A 28 GLU HA . 19533 1 317 . 1 1 28 28 GLU HB2 H 1 2.14 0.03 . 2 . . . A 28 GLU HB2 . 19533 1 318 . 1 1 28 28 GLU HB3 H 1 2.14 0.03 . 2 . . . A 28 GLU HB3 . 19533 1 319 . 1 1 28 28 GLU C C 13 180.13 0.20 . 1 . . . A 28 GLU C . 19533 1 320 . 1 1 28 28 GLU CA C 13 59.74 0.20 . 1 . . . A 28 GLU CA . 19533 1 321 . 1 1 28 28 GLU CB C 13 29.38 0.20 . 1 . . . A 28 GLU CB . 19533 1 322 . 1 1 28 28 GLU CG C 13 36.30 0.20 . 1 . . . A 28 GLU CG . 19533 1 323 . 1 1 28 28 GLU N N 15 118.80 0.20 . 1 . . . A 28 GLU N . 19533 1 324 . 1 1 29 29 VAL H H 1 8.12 0.03 . 1 . . . A 29 VAL H . 19533 1 325 . 1 1 29 29 VAL HA H 1 3.71 0.03 . 1 . . . A 29 VAL HA . 19533 1 326 . 1 1 29 29 VAL HB H 1 2.14 0.03 . 1 . . . A 29 VAL HB . 19533 1 327 . 1 1 29 29 VAL HG11 H 1 1.04 0.03 . 2 . . . A 29 VAL HG11 . 19533 1 328 . 1 1 29 29 VAL HG12 H 1 1.04 0.03 . 2 . . . A 29 VAL HG12 . 19533 1 329 . 1 1 29 29 VAL HG13 H 1 1.04 0.03 . 2 . . . A 29 VAL HG13 . 19533 1 330 . 1 1 29 29 VAL HG21 H 1 0.81 0.03 . 2 . . . A 29 VAL HG21 . 19533 1 331 . 1 1 29 29 VAL HG22 H 1 0.81 0.03 . 2 . . . A 29 VAL HG22 . 19533 1 332 . 1 1 29 29 VAL HG23 H 1 0.81 0.03 . 2 . . . A 29 VAL HG23 . 19533 1 333 . 1 1 29 29 VAL C C 13 179.24 0.20 . 1 . . . A 29 VAL C . 19533 1 334 . 1 1 29 29 VAL CA C 13 66.29 0.20 . 1 . . . A 29 VAL CA . 19533 1 335 . 1 1 29 29 VAL CB C 13 31.42 0.20 . 1 . . . A 29 VAL CB . 19533 1 336 . 1 1 29 29 VAL CG1 C 13 23.22 0.20 . 2 . . . A 29 VAL CG1 . 19533 1 337 . 1 1 29 29 VAL CG2 C 13 21.88 0.20 . 2 . . . A 29 VAL CG2 . 19533 1 338 . 1 1 29 29 VAL N N 15 120.73 0.20 . 1 . . . A 29 VAL N . 19533 1 339 . 1 1 30 30 ALA H H 1 8.31 0.03 . 1 . . . A 30 ALA H . 19533 1 340 . 1 1 30 30 ALA HA H 1 3.88 0.03 . 1 . . . A 30 ALA HA . 19533 1 341 . 1 1 30 30 ALA HB1 H 1 1.31 0.03 . 1 . . . A 30 ALA HB1 . 19533 1 342 . 1 1 30 30 ALA HB2 H 1 1.31 0.03 . 1 . . . A 30 ALA HB2 . 19533 1 343 . 1 1 30 30 ALA HB3 H 1 1.31 0.03 . 1 . . . A 30 ALA HB3 . 19533 1 344 . 1 1 30 30 ALA C C 13 179.63 0.20 . 1 . . . A 30 ALA C . 19533 1 345 . 1 1 30 30 ALA CA C 13 55.56 0.20 . 1 . . . A 30 ALA CA . 19533 1 346 . 1 1 30 30 ALA CB C 13 18.00 0.20 . 1 . . . A 30 ALA CB . 19533 1 347 . 1 1 30 30 ALA N N 15 123.77 0.20 . 1 . . . A 30 ALA N . 19533 1 348 . 1 1 31 31 LYS H H 1 8.71 0.03 . 1 . . . A 31 LYS H . 19533 1 349 . 1 1 31 31 LYS HA H 1 4.20 0.03 . 1 . . . A 31 LYS HA . 19533 1 350 . 1 1 31 31 LYS HB2 H 1 1.92 0.03 . 2 . . . A 31 LYS HB2 . 19533 1 351 . 1 1 31 31 LYS HB3 H 1 1.92 0.03 . 2 . . . A 31 LYS HB3 . 19533 1 352 . 1 1 31 31 LYS HG2 H 1 1.47 0.03 . 2 . . . A 31 LYS HG2 . 19533 1 353 . 1 1 31 31 LYS HG3 H 1 1.47 0.03 . 2 . . . A 31 LYS HG3 . 19533 1 354 . 1 1 31 31 LYS C C 13 180.71 0.20 . 1 . . . A 31 LYS C . 19533 1 355 . 1 1 31 31 LYS CA C 13 59.91 0.20 . 1 . . . A 31 LYS CA . 19533 1 356 . 1 1 31 31 LYS CB C 13 32.27 0.20 . 1 . . . A 31 LYS CB . 19533 1 357 . 1 1 31 31 LYS CG C 13 25.81 0.20 . 1 . . . A 31 LYS CG . 19533 1 358 . 1 1 31 31 LYS CD C 13 29.40 0.20 . 1 . . . A 31 LYS CD . 19533 1 359 . 1 1 31 31 LYS CE C 13 42.10 0.20 . 1 . . . A 31 LYS CE . 19533 1 360 . 1 1 31 31 LYS N N 15 118.26 0.20 . 1 . . . A 31 LYS N . 19533 1 361 . 1 1 32 32 SER H H 1 8.31 0.03 . 1 . . . A 32 SER H . 19533 1 362 . 1 1 32 32 SER HA H 1 4.38 0.03 . 1 . . . A 32 SER HA . 19533 1 363 . 1 1 32 32 SER HB2 H 1 4.06 0.03 . 2 . . . A 32 SER HB2 . 19533 1 364 . 1 1 32 32 SER HB3 H 1 4.06 0.03 . 2 . . . A 32 SER HB3 . 19533 1 365 . 1 1 32 32 SER C C 13 175.12 0.20 . 1 . . . A 32 SER C . 19533 1 366 . 1 1 32 32 SER CA C 13 61.30 0.20 . 1 . . . A 32 SER CA . 19533 1 367 . 1 1 32 32 SER CB C 13 63.22 0.20 . 1 . . . A 32 SER CB . 19533 1 368 . 1 1 32 32 SER N N 15 115.76 0.20 . 1 . . . A 32 SER N . 19533 1 369 . 1 1 33 33 THR H H 1 7.33 0.03 . 1 . . . A 33 THR H . 19533 1 370 . 1 1 33 33 THR HA H 1 4.49 0.03 . 1 . . . A 33 THR HA . 19533 1 371 . 1 1 33 33 THR HB H 1 4.33 0.03 . 1 . . . A 33 THR HB . 19533 1 372 . 1 1 33 33 THR HG21 H 1 1.10 0.03 . 1 . . . A 33 THR HG21 . 19533 1 373 . 1 1 33 33 THR HG22 H 1 1.10 0.03 . 1 . . . A 33 THR HG22 . 19533 1 374 . 1 1 33 33 THR HG23 H 1 1.10 0.03 . 1 . . . A 33 THR HG23 . 19533 1 375 . 1 1 33 33 THR C C 13 173.39 0.20 . 1 . . . A 33 THR C . 19533 1 376 . 1 1 33 33 THR CA C 13 60.91 0.20 . 1 . . . A 33 THR CA . 19533 1 377 . 1 1 33 33 THR CB C 13 68.86 0.20 . 1 . . . A 33 THR CB . 19533 1 378 . 1 1 33 33 THR N N 15 108.99 0.20 . 1 . . . A 33 THR N . 19533 1 379 . 1 1 34 34 ASN H H 1 7.91 0.03 . 1 . . . A 34 ASN H . 19533 1 380 . 1 1 34 34 ASN HA H 1 4.45 0.03 . 1 . . . A 34 ASN HA . 19533 1 381 . 1 1 34 34 ASN HB2 H 1 2.85 0.03 . 2 . . . A 34 ASN HB2 . 19533 1 382 . 1 1 34 34 ASN HB3 H 1 3.17 0.03 . 2 . . . A 34 ASN HB3 . 19533 1 383 . 1 1 34 34 ASN HD21 H 1 7.41 0.03 . 1 . . . A 34 ASN HD21 . 19533 1 384 . 1 1 34 34 ASN HD22 H 1 6.76 0.03 . 1 . . . A 34 ASN HD22 . 19533 1 385 . 1 1 34 34 ASN C C 13 174.49 0.20 . 1 . . . A 34 ASN C . 19533 1 386 . 1 1 34 34 ASN CA C 13 54.80 0.20 . 1 . . . A 34 ASN CA . 19533 1 387 . 1 1 34 34 ASN CB C 13 37.16 0.20 . 1 . . . A 34 ASN CB . 19533 1 388 . 1 1 34 34 ASN N N 15 115.25 0.20 . 1 . . . A 34 ASN N . 19533 1 389 . 1 1 34 34 ASN ND2 N 15 111.61 0.20 . 1 . . . A 34 ASN ND2 . 19533 1 390 . 1 1 35 35 SER H H 1 7.80 0.03 . 1 . . . A 35 SER H . 19533 1 391 . 1 1 35 35 SER HA H 1 4.83 0.03 . 1 . . . A 35 SER HA . 19533 1 392 . 1 1 35 35 SER HB2 H 1 3.46 0.03 . 2 . . . A 35 SER HB2 . 19533 1 393 . 1 1 35 35 SER HB3 H 1 3.74 0.03 . 2 . . . A 35 SER HB3 . 19533 1 394 . 1 1 35 35 SER C C 13 173.25 0.20 . 1 . . . A 35 SER C . 19533 1 395 . 1 1 35 35 SER CA C 13 58.55 0.20 . 1 . . . A 35 SER CA . 19533 1 396 . 1 1 35 35 SER CB C 13 64.91 0.20 . 1 . . . A 35 SER CB . 19533 1 397 . 1 1 35 35 SER N N 15 113.16 0.20 . 1 . . . A 35 SER N . 19533 1 398 . 1 1 36 36 LYS H H 1 8.39 0.03 . 1 . . . A 36 LYS H . 19533 1 399 . 1 1 36 36 LYS HA H 1 4.42 0.03 . 1 . . . A 36 LYS HA . 19533 1 400 . 1 1 36 36 LYS HB2 H 1 1.78 0.03 . 2 . . . A 36 LYS HB2 . 19533 1 401 . 1 1 36 36 LYS HB3 H 1 1.78 0.03 . 2 . . . A 36 LYS HB3 . 19533 1 402 . 1 1 36 36 LYS C C 13 175.27 0.20 . 1 . . . A 36 LYS C . 19533 1 403 . 1 1 36 36 LYS CA C 13 56.29 0.20 . 1 . . . A 36 LYS CA . 19533 1 404 . 1 1 36 36 LYS CB C 13 33.39 0.20 . 1 . . . A 36 LYS CB . 19533 1 405 . 1 1 36 36 LYS CG C 13 25.20 0.20 . 1 . . . A 36 LYS CG . 19533 1 406 . 1 1 36 36 LYS CD C 13 29.20 0.20 . 1 . . . A 36 LYS CD . 19533 1 407 . 1 1 36 36 LYS CE C 13 41.90 0.20 . 1 . . . A 36 LYS CE . 19533 1 408 . 1 1 36 36 LYS N N 15 123.77 0.20 . 1 . . . A 36 LYS N . 19533 1 409 . 1 1 37 37 VAL H H 1 8.13 0.03 . 1 . . . A 37 VAL H . 19533 1 410 . 1 1 37 37 VAL HA H 1 5.01 0.03 . 1 . . . A 37 VAL HA . 19533 1 411 . 1 1 37 37 VAL HB H 1 1.83 0.03 . 1 . . . A 37 VAL HB . 19533 1 412 . 1 1 37 37 VAL HG11 H 1 0.81 0.03 . 2 . . . A 37 VAL HG11 . 19533 1 413 . 1 1 37 37 VAL HG12 H 1 0.81 0.03 . 2 . . . A 37 VAL HG12 . 19533 1 414 . 1 1 37 37 VAL HG13 H 1 0.81 0.03 . 2 . . . A 37 VAL HG13 . 19533 1 415 . 1 1 37 37 VAL HG21 H 1 0.81 0.03 . 2 . . . A 37 VAL HG21 . 19533 1 416 . 1 1 37 37 VAL HG22 H 1 0.81 0.03 . 2 . . . A 37 VAL HG22 . 19533 1 417 . 1 1 37 37 VAL HG23 H 1 0.81 0.03 . 2 . . . A 37 VAL HG23 . 19533 1 418 . 1 1 37 37 VAL C C 13 175.12 0.20 . 1 . . . A 37 VAL C . 19533 1 419 . 1 1 37 37 VAL CA C 13 59.80 0.20 . 1 . . . A 37 VAL CA . 19533 1 420 . 1 1 37 37 VAL CB C 13 35.26 0.20 . 1 . . . A 37 VAL CB . 19533 1 421 . 1 1 37 37 VAL CG1 C 13 21.90 0.20 . 2 . . . A 37 VAL CG1 . 19533 1 422 . 1 1 37 37 VAL CG2 C 13 21.90 0.20 . 2 . . . A 37 VAL CG2 . 19533 1 423 . 1 1 37 37 VAL N N 15 119.71 0.20 . 1 . . . A 37 VAL N . 19533 1 424 . 1 1 38 38 SER H H 1 9.06 0.03 . 1 . . . A 38 SER H . 19533 1 425 . 1 1 38 38 SER HA H 1 4.81 0.03 . 1 . . . A 38 SER HA . 19533 1 426 . 1 1 38 38 SER HB2 H 1 3.65 0.03 . 2 . . . A 38 SER HB2 . 19533 1 427 . 1 1 38 38 SER HB3 H 1 3.82 0.03 . 2 . . . A 38 SER HB3 . 19533 1 428 . 1 1 38 38 SER C C 13 173.29 0.20 . 1 . . . A 38 SER C . 19533 1 429 . 1 1 38 38 SER CA C 13 56.93 0.20 . 1 . . . A 38 SER CA . 19533 1 430 . 1 1 38 38 SER CB C 13 64.42 0.20 . 1 . . . A 38 SER CB . 19533 1 431 . 1 1 38 38 SER N N 15 121.65 0.20 . 1 . . . A 38 SER N . 19533 1 432 . 1 1 39 39 GLY H H 1 8.43 0.03 . 1 . . . A 39 GLY H . 19533 1 433 . 1 1 39 39 GLY HA2 H 1 3.42 0.03 . 2 . . . A 39 GLY HA2 . 19533 1 434 . 1 1 39 39 GLY HA3 H 1 4.78 0.03 . 2 . . . A 39 GLY HA3 . 19533 1 435 . 1 1 39 39 GLY CA C 13 43.18 0.20 . 1 . . . A 39 GLY CA . 19533 1 436 . 1 1 39 39 GLY N N 15 112.74 0.20 . 1 . . . A 39 GLY N . 19533 1 437 . 1 1 40 40 PRO HA H 1 4.76 0.03 . 1 . . . A 40 PRO HA . 19533 1 438 . 1 1 40 40 PRO HB2 H 1 1.94 0.03 . 2 . . . A 40 PRO HB2 . 19533 1 439 . 1 1 40 40 PRO HB3 H 1 1.94 0.03 . 2 . . . A 40 PRO HB3 . 19533 1 440 . 1 1 40 40 PRO HG2 H 1 2.08 0.03 . 2 . . . A 40 PRO HG2 . 19533 1 441 . 1 1 40 40 PRO HG3 H 1 2.08 0.03 . 2 . . . A 40 PRO HG3 . 19533 1 442 . 1 1 40 40 PRO HD2 H 1 3.47 0.03 . 2 . . . A 40 PRO HD2 . 19533 1 443 . 1 1 40 40 PRO HD3 H 1 3.68 0.03 . 2 . . . A 40 PRO HD3 . 19533 1 444 . 1 1 40 40 PRO C C 13 175.76 0.20 . 1 . . . A 40 PRO C . 19533 1 445 . 1 1 40 40 PRO CA C 13 61.35 0.20 . 1 . . . A 40 PRO CA . 19533 1 446 . 1 1 40 40 PRO CB C 13 34.78 0.20 . 1 . . . A 40 PRO CB . 19533 1 447 . 1 1 40 40 PRO CG C 13 25.83 0.20 . 1 . . . A 40 PRO CG . 19533 1 448 . 1 1 40 40 PRO CD C 13 50.19 0.20 . 1 . . . A 40 PRO CD . 19533 1 449 . 1 1 41 41 ILE H H 1 9.56 0.03 . 1 . . . A 41 ILE H . 19533 1 450 . 1 1 41 41 ILE HA H 1 4.75 0.03 . 1 . . . A 41 ILE HA . 19533 1 451 . 1 1 41 41 ILE HB H 1 1.94 0.03 . 1 . . . A 41 ILE HB . 19533 1 452 . 1 1 41 41 ILE HG12 H 1 1.20 0.03 . 2 . . . A 41 ILE HG12 . 19533 1 453 . 1 1 41 41 ILE HG13 H 1 1.20 0.03 . 2 . . . A 41 ILE HG13 . 19533 1 454 . 1 1 41 41 ILE HG21 H 1 0.92 0.03 . 1 . . . A 41 ILE HG21 . 19533 1 455 . 1 1 41 41 ILE HG22 H 1 0.92 0.03 . 1 . . . A 41 ILE HG22 . 19533 1 456 . 1 1 41 41 ILE HG23 H 1 0.92 0.03 . 1 . . . A 41 ILE HG23 . 19533 1 457 . 1 1 41 41 ILE HD11 H 1 0.78 0.03 . 1 . . . A 41 ILE HD11 . 19533 1 458 . 1 1 41 41 ILE HD12 H 1 0.78 0.03 . 1 . . . A 41 ILE HD12 . 19533 1 459 . 1 1 41 41 ILE HD13 H 1 0.78 0.03 . 1 . . . A 41 ILE HD13 . 19533 1 460 . 1 1 41 41 ILE CA C 13 57.70 0.20 . 1 . . . A 41 ILE CA . 19533 1 461 . 1 1 41 41 ILE CB C 13 40.57 0.20 . 1 . . . A 41 ILE CB . 19533 1 462 . 1 1 41 41 ILE CG1 C 13 27.34 0.20 . 1 . . . A 41 ILE CG1 . 19533 1 463 . 1 1 41 41 ILE CG2 C 13 17.02 0.20 . 1 . . . A 41 ILE CG2 . 19533 1 464 . 1 1 41 41 ILE CD1 C 13 12.52 0.20 . 1 . . . A 41 ILE CD1 . 19533 1 465 . 1 1 41 41 ILE N N 15 125.44 0.20 . 1 . . . A 41 ILE N . 19533 1 466 . 1 1 42 42 PRO HA H 1 4.82 0.03 . 1 . . . A 42 PRO HA . 19533 1 467 . 1 1 42 42 PRO HB2 H 1 2.00 0.03 . 2 . . . A 42 PRO HB2 . 19533 1 468 . 1 1 42 42 PRO HB3 H 1 2.18 0.03 . 2 . . . A 42 PRO HB3 . 19533 1 469 . 1 1 42 42 PRO HG2 H 1 1.99 0.03 . 2 . . . A 42 PRO HG2 . 19533 1 470 . 1 1 42 42 PRO HG3 H 1 1.99 0.03 . 2 . . . A 42 PRO HG3 . 19533 1 471 . 1 1 42 42 PRO HD2 H 1 3.82 0.03 . 2 . . . A 42 PRO HD2 . 19533 1 472 . 1 1 42 42 PRO HD3 H 1 3.90 0.03 . 2 . . . A 42 PRO HD3 . 19533 1 473 . 1 1 42 42 PRO C C 13 175.60 0.20 . 1 . . . A 42 PRO C . 19533 1 474 . 1 1 42 42 PRO CA C 13 62.72 0.20 . 1 . . . A 42 PRO CA . 19533 1 475 . 1 1 42 42 PRO CB C 13 31.74 0.20 . 1 . . . A 42 PRO CB . 19533 1 476 . 1 1 42 42 PRO CG C 13 27.22 0.20 . 1 . . . A 42 PRO CG . 19533 1 477 . 1 1 42 42 PRO CD C 13 51.03 0.20 . 1 . . . A 42 PRO CD . 19533 1 478 . 1 1 43 43 LEU H H 1 7.23 0.03 . 1 . . . A 43 LEU H . 19533 1 479 . 1 1 43 43 LEU HA H 1 4.83 0.03 . 1 . . . A 43 LEU HA . 19533 1 480 . 1 1 43 43 LEU HB2 H 1 1.35 0.03 . 2 . . . A 43 LEU HB2 . 19533 1 481 . 1 1 43 43 LEU HB3 H 1 1.58 0.03 . 2 . . . A 43 LEU HB3 . 19533 1 482 . 1 1 43 43 LEU HG H 1 1.58 0.03 . 1 . . . A 43 LEU HG . 19533 1 483 . 1 1 43 43 LEU HD11 H 1 0.90 0.03 . 2 . . . A 43 LEU HD11 . 19533 1 484 . 1 1 43 43 LEU HD12 H 1 0.90 0.03 . 2 . . . A 43 LEU HD12 . 19533 1 485 . 1 1 43 43 LEU HD13 H 1 0.90 0.03 . 2 . . . A 43 LEU HD13 . 19533 1 486 . 1 1 43 43 LEU CA C 13 51.96 0.20 . 1 . . . A 43 LEU CA . 19533 1 487 . 1 1 43 43 LEU CB C 13 42.46 0.20 . 1 . . . A 43 LEU CB . 19533 1 488 . 1 1 43 43 LEU CG C 13 27.22 0.20 . 1 . . . A 43 LEU CG . 19533 1 489 . 1 1 43 43 LEU CD1 C 13 22.51 0.20 . 2 . . . A 43 LEU CD1 . 19533 1 490 . 1 1 43 43 LEU N N 15 123.01 0.20 . 1 . . . A 43 LEU N . 19533 1 491 . 1 1 44 44 PRO HA H 1 4.37 0.03 . 1 . . . A 44 PRO HA . 19533 1 492 . 1 1 44 44 PRO HB2 H 1 1.76 0.03 . 2 . . . A 44 PRO HB2 . 19533 1 493 . 1 1 44 44 PRO HB3 H 1 2.31 0.03 . 2 . . . A 44 PRO HB3 . 19533 1 494 . 1 1 44 44 PRO HG2 H 1 1.95 0.03 . 2 . . . A 44 PRO HG2 . 19533 1 495 . 1 1 44 44 PRO HG3 H 1 2.09 0.03 . 2 . . . A 44 PRO HG3 . 19533 1 496 . 1 1 44 44 PRO HD2 H 1 3.55 0.03 . 2 . . . A 44 PRO HD2 . 19533 1 497 . 1 1 44 44 PRO HD3 H 1 3.77 0.03 . 2 . . . A 44 PRO HD3 . 19533 1 498 . 1 1 44 44 PRO C C 13 176.62 0.20 . 1 . . . A 44 PRO C . 19533 1 499 . 1 1 44 44 PRO CA C 13 63.66 0.20 . 1 . . . A 44 PRO CA . 19533 1 500 . 1 1 44 44 PRO CB C 13 31.78 0.20 . 1 . . . A 44 PRO CB . 19533 1 501 . 1 1 44 44 PRO CG C 13 27.88 0.20 . 1 . . . A 44 PRO CG . 19533 1 502 . 1 1 44 44 PRO CD C 13 50.40 0.20 . 1 . . . A 44 PRO CD . 19533 1 503 . 1 1 45 45 THR H H 1 8.36 0.03 . 1 . . . A 45 THR H . 19533 1 504 . 1 1 45 45 THR HA H 1 4.38 0.03 . 1 . . . A 45 THR HA . 19533 1 505 . 1 1 45 45 THR HB H 1 3.87 0.03 . 1 . . . A 45 THR HB . 19533 1 506 . 1 1 45 45 THR HG21 H 1 0.66 0.03 . 1 . . . A 45 THR HG21 . 19533 1 507 . 1 1 45 45 THR HG22 H 1 0.66 0.03 . 1 . . . A 45 THR HG22 . 19533 1 508 . 1 1 45 45 THR HG23 H 1 0.66 0.03 . 1 . . . A 45 THR HG23 . 19533 1 509 . 1 1 45 45 THR CA C 13 63.24 0.20 . 1 . . . A 45 THR CA . 19533 1 510 . 1 1 45 45 THR CB C 13 69.52 0.20 . 1 . . . A 45 THR CB . 19533 1 511 . 1 1 45 45 THR N N 15 121.28 0.20 . 1 . . . A 45 THR N . 19533 1 512 . 1 1 48 48 ARG HA H 1 3.65 0.03 . 1 . . . A 48 ARG HA . 19533 1 513 . 1 1 48 48 ARG HB2 H 1 2.18 0.03 . 2 . . . A 48 ARG HB2 . 19533 1 514 . 1 1 48 48 ARG HB3 H 1 2.18 0.03 . 2 . . . A 48 ARG HB3 . 19533 1 515 . 1 1 48 48 ARG HG2 H 1 1.62 0.03 . 2 . . . A 48 ARG HG2 . 19533 1 516 . 1 1 48 48 ARG HG3 H 1 1.62 0.03 . 2 . . . A 48 ARG HG3 . 19533 1 517 . 1 1 48 48 ARG HD2 H 1 3.25 0.03 . 2 . . . A 48 ARG HD2 . 19533 1 518 . 1 1 48 48 ARG HD3 H 1 3.25 0.03 . 2 . . . A 48 ARG HD3 . 19533 1 519 . 1 1 48 48 ARG C C 13 173.65 0.20 . 1 . . . A 48 ARG C . 19533 1 520 . 1 1 48 48 ARG CA C 13 58.00 0.20 . 1 . . . A 48 ARG CA . 19533 1 521 . 1 1 48 48 ARG CB C 13 28.17 0.20 . 1 . . . A 48 ARG CB . 19533 1 522 . 1 1 48 48 ARG CG C 13 28.09 0.20 . 1 . . . A 48 ARG CG . 19533 1 523 . 1 1 48 48 ARG CD C 13 43.51 0.20 . 1 . . . A 48 ARG CD . 19533 1 524 . 1 1 49 49 VAL H H 1 7.70 0.03 . 1 . . . A 49 VAL H . 19533 1 525 . 1 1 49 49 VAL HA H 1 3.53 0.03 . 1 . . . A 49 VAL HA . 19533 1 526 . 1 1 49 49 VAL HB H 1 1.99 0.03 . 1 . . . A 49 VAL HB . 19533 1 527 . 1 1 49 49 VAL HG11 H 1 0.64 0.03 . 2 . . . A 49 VAL HG11 . 19533 1 528 . 1 1 49 49 VAL HG12 H 1 0.64 0.03 . 2 . . . A 49 VAL HG12 . 19533 1 529 . 1 1 49 49 VAL HG13 H 1 0.64 0.03 . 2 . . . A 49 VAL HG13 . 19533 1 530 . 1 1 49 49 VAL HG21 H 1 0.56 0.03 . 2 . . . A 49 VAL HG21 . 19533 1 531 . 1 1 49 49 VAL HG22 H 1 0.56 0.03 . 2 . . . A 49 VAL HG22 . 19533 1 532 . 1 1 49 49 VAL HG23 H 1 0.56 0.03 . 2 . . . A 49 VAL HG23 . 19533 1 533 . 1 1 49 49 VAL C C 13 174.68 0.20 . 1 . . . A 49 VAL C . 19533 1 534 . 1 1 49 49 VAL CA C 13 62.88 0.20 . 1 . . . A 49 VAL CA . 19533 1 535 . 1 1 49 49 VAL CB C 13 32.03 0.20 . 1 . . . A 49 VAL CB . 19533 1 536 . 1 1 49 49 VAL CG1 C 13 22.23 0.20 . 2 . . . A 49 VAL CG1 . 19533 1 537 . 1 1 49 49 VAL CG2 C 13 21.65 0.20 . 2 . . . A 49 VAL CG2 . 19533 1 538 . 1 1 49 49 VAL N N 15 119.48 0.20 . 1 . . . A 49 VAL N . 19533 1 539 . 1 1 50 50 HIS H H 1 8.35 0.03 . 1 . . . A 50 HIS H . 19533 1 540 . 1 1 50 50 HIS HA H 1 4.72 0.03 . 1 . . . A 50 HIS HA . 19533 1 541 . 1 1 50 50 HIS HB2 H 1 2.77 0.03 . 2 . . . A 50 HIS HB2 . 19533 1 542 . 1 1 50 50 HIS HB3 H 1 2.89 0.03 . 2 . . . A 50 HIS HB3 . 19533 1 543 . 1 1 50 50 HIS HD2 H 1 6.99 0.03 . 1 . . . A 50 HIS HD2 . 19533 1 544 . 1 1 50 50 HIS C C 13 175.47 0.20 . 1 . . . A 50 HIS C . 19533 1 545 . 1 1 50 50 HIS CA C 13 55.38 0.20 . 1 . . . A 50 HIS CA . 19533 1 546 . 1 1 50 50 HIS CB C 13 32.95 0.20 . 1 . . . A 50 HIS CB . 19533 1 547 . 1 1 50 50 HIS N N 15 128.53 0.20 . 1 . . . A 50 HIS N . 19533 1 548 . 1 1 51 51 LYS H H 1 8.94 0.03 . 1 . . . A 51 LYS H . 19533 1 549 . 1 1 51 51 LYS HA H 1 5.77 0.03 . 1 . . . A 51 LYS HA . 19533 1 550 . 1 1 51 51 LYS HB2 H 1 1.65 0.03 . 2 . . . A 51 LYS HB2 . 19533 1 551 . 1 1 51 51 LYS HB3 H 1 1.65 0.03 . 2 . . . A 51 LYS HB3 . 19533 1 552 . 1 1 51 51 LYS HG2 H 1 1.28 0.03 . 2 . . . A 51 LYS HG2 . 19533 1 553 . 1 1 51 51 LYS HG3 H 1 1.28 0.03 . 2 . . . A 51 LYS HG3 . 19533 1 554 . 1 1 51 51 LYS HD2 H 1 1.55 0.03 . 2 . . . A 51 LYS HD2 . 19533 1 555 . 1 1 51 51 LYS HD3 H 1 1.55 0.03 . 2 . . . A 51 LYS HD3 . 19533 1 556 . 1 1 51 51 LYS HE2 H 1 2.82 0.03 . 2 . . . A 51 LYS HE2 . 19533 1 557 . 1 1 51 51 LYS HE3 H 1 2.82 0.03 . 2 . . . A 51 LYS HE3 . 19533 1 558 . 1 1 51 51 LYS C C 13 177.90 0.20 . 1 . . . A 51 LYS C . 19533 1 559 . 1 1 51 51 LYS CA C 13 55.21 0.20 . 1 . . . A 51 LYS CA . 19533 1 560 . 1 1 51 51 LYS CB C 13 39.36 0.20 . 1 . . . A 51 LYS CB . 19533 1 561 . 1 1 51 51 LYS CG C 13 25.80 0.20 . 1 . . . A 51 LYS CG . 19533 1 562 . 1 1 51 51 LYS CD C 13 30.31 0.20 . 1 . . . A 51 LYS CD . 19533 1 563 . 1 1 51 51 LYS CE C 13 42.35 0.20 . 1 . . . A 51 LYS CE . 19533 1 564 . 1 1 51 51 LYS N N 15 117.46 0.20 . 1 . . . A 51 LYS N . 19533 1 565 . 1 1 52 52 ARG H H 1 8.99 0.03 . 1 . . . A 52 ARG H . 19533 1 566 . 1 1 52 52 ARG HA H 1 5.24 0.03 . 1 . . . A 52 ARG HA . 19533 1 567 . 1 1 52 52 ARG HB2 H 1 1.58 0.03 . 2 . . . A 52 ARG HB2 . 19533 1 568 . 1 1 52 52 ARG HB3 H 1 1.58 0.03 . 2 . . . A 52 ARG HB3 . 19533 1 569 . 1 1 52 52 ARG HG2 H 1 1.44 0.03 . 2 . . . A 52 ARG HG2 . 19533 1 570 . 1 1 52 52 ARG HG3 H 1 1.44 0.03 . 2 . . . A 52 ARG HG3 . 19533 1 571 . 1 1 52 52 ARG HD2 H 1 3.48 0.03 . 2 . . . A 52 ARG HD2 . 19533 1 572 . 1 1 52 52 ARG HD3 H 1 3.48 0.03 . 2 . . . A 52 ARG HD3 . 19533 1 573 . 1 1 52 52 ARG C C 13 173.86 0.20 . 1 . . . A 52 ARG C . 19533 1 574 . 1 1 52 52 ARG CA C 13 53.07 0.20 . 1 . . . A 52 ARG CA . 19533 1 575 . 1 1 52 52 ARG CB C 13 34.83 0.20 . 1 . . . A 52 ARG CB . 19533 1 576 . 1 1 52 52 ARG CG C 13 27.91 0.20 . 1 . . . A 52 ARG CG . 19533 1 577 . 1 1 52 52 ARG CD C 13 42.44 0.20 . 1 . . . A 52 ARG CD . 19533 1 578 . 1 1 52 52 ARG N N 15 120.83 0.20 . 1 . . . A 52 ARG N . 19533 1 579 . 1 1 53 53 LEU H H 1 8.88 0.03 . 1 . . . A 53 LEU H . 19533 1 580 . 1 1 53 53 LEU HA H 1 5.44 0.03 . 1 . . . A 53 LEU HA . 19533 1 581 . 1 1 53 53 LEU HB2 H 1 1.52 0.03 . 2 . . . A 53 LEU HB2 . 19533 1 582 . 1 1 53 53 LEU HB3 H 1 1.59 0.03 . 2 . . . A 53 LEU HB3 . 19533 1 583 . 1 1 53 53 LEU HG H 1 1.33 0.03 . 1 . . . A 53 LEU HG . 19533 1 584 . 1 1 53 53 LEU HD11 H 1 0.82 0.03 . 2 . . . A 53 LEU HD11 . 19533 1 585 . 1 1 53 53 LEU HD12 H 1 0.82 0.03 . 2 . . . A 53 LEU HD12 . 19533 1 586 . 1 1 53 53 LEU HD13 H 1 0.82 0.03 . 2 . . . A 53 LEU HD13 . 19533 1 587 . 1 1 53 53 LEU C C 13 176.14 0.20 . 1 . . . A 53 LEU C . 19533 1 588 . 1 1 53 53 LEU CA C 13 53.80 0.20 . 1 . . . A 53 LEU CA . 19533 1 589 . 1 1 53 53 LEU CB C 13 46.41 0.20 . 1 . . . A 53 LEU CB . 19533 1 590 . 1 1 53 53 LEU CG C 13 25.08 0.20 . 1 . . . A 53 LEU CG . 19533 1 591 . 1 1 53 53 LEU CD1 C 13 24.91 0.20 . 2 . . . A 53 LEU CD1 . 19533 1 592 . 1 1 53 53 LEU N N 15 122.25 0.20 . 1 . . . A 53 LEU N . 19533 1 593 . 1 1 54 54 ILE H H 1 9.28 0.03 . 1 . . . A 54 ILE H . 19533 1 594 . 1 1 54 54 ILE HA H 1 4.42 0.03 . 1 . . . A 54 ILE HA . 19533 1 595 . 1 1 54 54 ILE HB H 1 1.53 0.03 . 1 . . . A 54 ILE HB . 19533 1 596 . 1 1 54 54 ILE HG12 H 1 0.65 0.03 . 2 . . . A 54 ILE HG12 . 19533 1 597 . 1 1 54 54 ILE HG13 H 1 1.46 0.03 . 2 . . . A 54 ILE HG13 . 19533 1 598 . 1 1 54 54 ILE HG21 H 1 0.64 0.03 . 1 . . . A 54 ILE HG21 . 19533 1 599 . 1 1 54 54 ILE HG22 H 1 0.64 0.03 . 1 . . . A 54 ILE HG22 . 19533 1 600 . 1 1 54 54 ILE HG23 H 1 0.64 0.03 . 1 . . . A 54 ILE HG23 . 19533 1 601 . 1 1 54 54 ILE HD11 H 1 0.79 0.03 . 1 . . . A 54 ILE HD11 . 19533 1 602 . 1 1 54 54 ILE HD12 H 1 0.79 0.03 . 1 . . . A 54 ILE HD12 . 19533 1 603 . 1 1 54 54 ILE HD13 H 1 0.79 0.03 . 1 . . . A 54 ILE HD13 . 19533 1 604 . 1 1 54 54 ILE C C 13 173.16 0.20 . 1 . . . A 54 ILE C . 19533 1 605 . 1 1 54 54 ILE CA C 13 61.42 0.20 . 1 . . . A 54 ILE CA . 19533 1 606 . 1 1 54 54 ILE CB C 13 43.48 0.20 . 1 . . . A 54 ILE CB . 19533 1 607 . 1 1 54 54 ILE CG1 C 13 28.60 0.20 . 1 . . . A 54 ILE CG1 . 19533 1 608 . 1 1 54 54 ILE CG2 C 13 18.48 0.20 . 1 . . . A 54 ILE CG2 . 19533 1 609 . 1 1 54 54 ILE CD1 C 13 16.16 0.20 . 1 . . . A 54 ILE CD1 . 19533 1 610 . 1 1 54 54 ILE N N 15 124.79 0.20 . 1 . . . A 54 ILE N . 19533 1 611 . 1 1 55 55 ASP H H 1 8.56 0.03 . 1 . . . A 55 ASP H . 19533 1 612 . 1 1 55 55 ASP HA H 1 5.80 0.03 . 1 . . . A 55 ASP HA . 19533 1 613 . 1 1 55 55 ASP HB2 H 1 2.18 0.03 . 2 . . . A 55 ASP HB2 . 19533 1 614 . 1 1 55 55 ASP HB3 H 1 2.52 0.03 . 2 . . . A 55 ASP HB3 . 19533 1 615 . 1 1 55 55 ASP C C 13 175.30 0.20 . 1 . . . A 55 ASP C . 19533 1 616 . 1 1 55 55 ASP CA C 13 53.12 0.20 . 1 . . . A 55 ASP CA . 19533 1 617 . 1 1 55 55 ASP CB C 13 43.53 0.20 . 1 . . . A 55 ASP CB . 19533 1 618 . 1 1 55 55 ASP N N 15 126.26 0.20 . 1 . . . A 55 ASP N . 19533 1 619 . 1 1 56 56 ILE H H 1 9.10 0.03 . 1 . . . A 56 ILE H . 19533 1 620 . 1 1 56 56 ILE HA H 1 4.62 0.03 . 1 . . . A 56 ILE HA . 19533 1 621 . 1 1 56 56 ILE HB H 1 1.78 0.03 . 1 . . . A 56 ILE HB . 19533 1 622 . 1 1 56 56 ILE HG12 H 1 0.97 0.03 . 2 . . . A 56 ILE HG12 . 19533 1 623 . 1 1 56 56 ILE HG13 H 1 1.38 0.03 . 2 . . . A 56 ILE HG13 . 19533 1 624 . 1 1 56 56 ILE HG21 H 1 0.77 0.03 . 1 . . . A 56 ILE HG21 . 19533 1 625 . 1 1 56 56 ILE HG22 H 1 0.77 0.03 . 1 . . . A 56 ILE HG22 . 19533 1 626 . 1 1 56 56 ILE HG23 H 1 0.77 0.03 . 1 . . . A 56 ILE HG23 . 19533 1 627 . 1 1 56 56 ILE HD11 H 1 0.59 0.03 . 1 . . . A 56 ILE HD11 . 19533 1 628 . 1 1 56 56 ILE HD12 H 1 0.59 0.03 . 1 . . . A 56 ILE HD12 . 19533 1 629 . 1 1 56 56 ILE HD13 H 1 0.59 0.03 . 1 . . . A 56 ILE HD13 . 19533 1 630 . 1 1 56 56 ILE C C 13 174.61 0.20 . 1 . . . A 56 ILE C . 19533 1 631 . 1 1 56 56 ILE CA C 13 60.16 0.20 . 1 . . . A 56 ILE CA . 19533 1 632 . 1 1 56 56 ILE CB C 13 38.52 0.20 . 1 . . . A 56 ILE CB . 19533 1 633 . 1 1 56 56 ILE CG1 C 13 27.37 0.20 . 1 . . . A 56 ILE CG1 . 19533 1 634 . 1 1 56 56 ILE CG2 C 13 18.45 0.20 . 1 . . . A 56 ILE CG2 . 19533 1 635 . 1 1 56 56 ILE CD1 C 13 13.37 0.20 . 1 . . . A 56 ILE CD1 . 19533 1 636 . 1 1 56 56 ILE N N 15 122.26 0.20 . 1 . . . A 56 ILE N . 19533 1 637 . 1 1 57 57 ILE H H 1 8.48 0.03 . 1 . . . A 57 ILE H . 19533 1 638 . 1 1 57 57 ILE HA H 1 4.20 0.03 . 1 . . . A 57 ILE HA . 19533 1 639 . 1 1 57 57 ILE HB H 1 1.57 0.03 . 1 . . . A 57 ILE HB . 19533 1 640 . 1 1 57 57 ILE HG12 H 1 1.07 0.03 . 2 . . . A 57 ILE HG12 . 19533 1 641 . 1 1 57 57 ILE HG13 H 1 1.30 0.03 . 2 . . . A 57 ILE HG13 . 19533 1 642 . 1 1 57 57 ILE HG21 H 1 0.91 0.03 . 1 . . . A 57 ILE HG21 . 19533 1 643 . 1 1 57 57 ILE HG22 H 1 0.91 0.03 . 1 . . . A 57 ILE HG22 . 19533 1 644 . 1 1 57 57 ILE HG23 H 1 0.91 0.03 . 1 . . . A 57 ILE HG23 . 19533 1 645 . 1 1 57 57 ILE HD11 H 1 0.73 0.03 . 1 . . . A 57 ILE HD11 . 19533 1 646 . 1 1 57 57 ILE HD12 H 1 0.73 0.03 . 1 . . . A 57 ILE HD12 . 19533 1 647 . 1 1 57 57 ILE HD13 H 1 0.73 0.03 . 1 . . . A 57 ILE HD13 . 19533 1 648 . 1 1 57 57 ILE C C 13 174.35 0.20 . 1 . . . A 57 ILE C . 19533 1 649 . 1 1 57 57 ILE CA C 13 60.81 0.20 . 1 . . . A 57 ILE CA . 19533 1 650 . 1 1 57 57 ILE CB C 13 39.30 0.20 . 1 . . . A 57 ILE CB . 19533 1 651 . 1 1 57 57 ILE CG1 C 13 28.73 0.20 . 1 . . . A 57 ILE CG1 . 19533 1 652 . 1 1 57 57 ILE CG2 C 13 18.39 0.20 . 1 . . . A 57 ILE CG2 . 19533 1 653 . 1 1 57 57 ILE CD1 C 13 13.41 0.20 . 1 . . . A 57 ILE CD1 . 19533 1 654 . 1 1 57 57 ILE N N 15 128.86 0.20 . 1 . . . A 57 ILE N . 19533 1 655 . 1 1 58 58 ASP H H 1 8.76 0.03 . 1 . . . A 58 ASP H . 19533 1 656 . 1 1 58 58 ASP HA H 1 4.45 0.03 . 1 . . . A 58 ASP HA . 19533 1 657 . 1 1 58 58 ASP HB2 H 1 2.87 0.03 . 2 . . . A 58 ASP HB2 . 19533 1 658 . 1 1 58 58 ASP HB3 H 1 2.75 0.03 . 2 . . . A 58 ASP HB3 . 19533 1 659 . 1 1 58 58 ASP CA C 13 55.11 0.20 . 1 . . . A 58 ASP CA . 19533 1 660 . 1 1 58 58 ASP CB C 13 39.50 0.20 . 1 . . . A 58 ASP CB . 19533 1 661 . 1 1 58 58 ASP N N 15 122.14 0.20 . 1 . . . A 58 ASP N . 19533 1 662 . 1 1 59 59 PRO HA H 1 4.43 0.03 . 1 . . . A 59 PRO HA . 19533 1 663 . 1 1 59 59 PRO HB2 H 1 1.80 0.03 . 2 . . . A 59 PRO HB2 . 19533 1 664 . 1 1 59 59 PRO HB3 H 1 1.80 0.03 . 2 . . . A 59 PRO HB3 . 19533 1 665 . 1 1 59 59 PRO HG2 H 1 1.67 0.03 . 2 . . . A 59 PRO HG2 . 19533 1 666 . 1 1 59 59 PRO HG3 H 1 2.02 0.03 . 2 . . . A 59 PRO HG3 . 19533 1 667 . 1 1 59 59 PRO HD2 H 1 3.45 0.03 . 2 . . . A 59 PRO HD2 . 19533 1 668 . 1 1 59 59 PRO HD3 H 1 3.62 0.03 . 2 . . . A 59 PRO HD3 . 19533 1 669 . 1 1 59 59 PRO C C 13 176.69 0.20 . 1 . . . A 59 PRO C . 19533 1 670 . 1 1 59 59 PRO CA C 13 62.26 0.20 . 1 . . . A 59 PRO CA . 19533 1 671 . 1 1 59 59 PRO CB C 13 31.59 0.20 . 1 . . . A 59 PRO CB . 19533 1 672 . 1 1 59 59 PRO CG C 13 27.44 0.20 . 1 . . . A 59 PRO CG . 19533 1 673 . 1 1 59 59 PRO CD C 13 50.87 0.20 . 1 . . . A 59 PRO CD . 19533 1 674 . 1 1 60 60 SER H H 1 8.05 0.03 . 1 . . . A 60 SER H . 19533 1 675 . 1 1 60 60 SER HA H 1 4.92 0.03 . 1 . . . A 60 SER HA . 19533 1 676 . 1 1 60 60 SER HB2 H 1 4.05 0.03 . 2 . . . A 60 SER HB2 . 19533 1 677 . 1 1 60 60 SER HB3 H 1 4.38 0.03 . 2 . . . A 60 SER HB3 . 19533 1 678 . 1 1 60 60 SER CA C 13 56.02 0.20 . 1 . . . A 60 SER CA . 19533 1 679 . 1 1 60 60 SER CB C 13 64.14 0.20 . 1 . . . A 60 SER CB . 19533 1 680 . 1 1 60 60 SER N N 15 117.89 0.20 . 1 . . . A 60 SER N . 19533 1 681 . 1 1 61 61 PRO HA H 1 4.24 0.03 . 1 . . . A 61 PRO HA . 19533 1 682 . 1 1 61 61 PRO HB2 H 1 1.95 0.03 . 2 . . . A 61 PRO HB2 . 19533 1 683 . 1 1 61 61 PRO HB3 H 1 2.39 0.03 . 2 . . . A 61 PRO HB3 . 19533 1 684 . 1 1 61 61 PRO HG2 H 1 2.19 0.03 . 2 . . . A 61 PRO HG2 . 19533 1 685 . 1 1 61 61 PRO HG3 H 1 2.03 0.03 . 2 . . . A 61 PRO HG3 . 19533 1 686 . 1 1 61 61 PRO HD2 H 1 3.95 0.03 . 2 . . . A 61 PRO HD2 . 19533 1 687 . 1 1 61 61 PRO HD3 H 1 3.95 0.03 . 2 . . . A 61 PRO HD3 . 19533 1 688 . 1 1 61 61 PRO CA C 13 66.00 0.20 . 1 . . . A 61 PRO CA . 19533 1 689 . 1 1 61 61 PRO CB C 13 32.10 0.20 . 1 . . . A 61 PRO CB . 19533 1 690 . 1 1 61 61 PRO CG C 13 28.00 0.20 . 1 . . . A 61 PRO CG . 19533 1 691 . 1 1 61 61 PRO CD C 13 50.50 0.20 . 1 . . . A 61 PRO CD . 19533 1 692 . 1 1 62 62 LYS HA H 1 4.15 0.03 . 1 . . . A 62 LYS HA . 19533 1 693 . 1 1 62 62 LYS HB2 H 1 1.86 0.03 . 2 . . . A 62 LYS HB2 . 19533 1 694 . 1 1 62 62 LYS HB3 H 1 1.86 0.03 . 2 . . . A 62 LYS HB3 . 19533 1 695 . 1 1 62 62 LYS HE2 H 1 2.58 0.03 . 2 . . . A 62 LYS HE2 . 19533 1 696 . 1 1 62 62 LYS HE3 H 1 2.63 0.03 . 2 . . . A 62 LYS HE3 . 19533 1 697 . 1 1 62 62 LYS C C 13 179.04 0.20 . 1 . . . A 62 LYS C . 19533 1 698 . 1 1 62 62 LYS CA C 13 58.69 0.20 . 1 . . . A 62 LYS CA . 19533 1 699 . 1 1 62 62 LYS CB C 13 32.33 0.20 . 1 . . . A 62 LYS CB . 19533 1 700 . 1 1 62 62 LYS CG C 13 25.20 0.20 . 1 . . . A 62 LYS CG . 19533 1 701 . 1 1 62 62 LYS CD C 13 29.00 0.20 . 1 . . . A 62 LYS CD . 19533 1 702 . 1 1 62 62 LYS CE C 13 42.11 0.20 . 1 . . . A 62 LYS CE . 19533 1 703 . 1 1 63 63 THR H H 1 7.94 0.03 . 1 . . . A 63 THR H . 19533 1 704 . 1 1 63 63 THR HA H 1 3.88 0.03 . 1 . . . A 63 THR HA . 19533 1 705 . 1 1 63 63 THR HB H 1 4.20 0.03 . 1 . . . A 63 THR HB . 19533 1 706 . 1 1 63 63 THR HG21 H 1 1.08 0.03 . 1 . . . A 63 THR HG21 . 19533 1 707 . 1 1 63 63 THR HG22 H 1 1.08 0.03 . 1 . . . A 63 THR HG22 . 19533 1 708 . 1 1 63 63 THR HG23 H 1 1.08 0.03 . 1 . . . A 63 THR HG23 . 19533 1 709 . 1 1 63 63 THR C C 13 175.48 0.20 . 1 . . . A 63 THR C . 19533 1 710 . 1 1 63 63 THR CA C 13 66.68 0.20 . 1 . . . A 63 THR CA . 19533 1 711 . 1 1 63 63 THR CB C 13 68.38 0.20 . 1 . . . A 63 THR CB . 19533 1 712 . 1 1 63 63 THR N N 15 118.76 0.20 . 1 . . . A 63 THR N . 19533 1 713 . 1 1 64 64 ILE H H 1 7.62 0.03 . 1 . . . A 64 ILE H . 19533 1 714 . 1 1 64 64 ILE HA H 1 3.46 0.03 . 1 . . . A 64 ILE HA . 19533 1 715 . 1 1 64 64 ILE HB H 1 1.97 0.03 . 1 . . . A 64 ILE HB . 19533 1 716 . 1 1 64 64 ILE HG12 H 1 1.06 0.03 . 2 . . . A 64 ILE HG12 . 19533 1 717 . 1 1 64 64 ILE HG13 H 1 1.51 0.03 . 2 . . . A 64 ILE HG13 . 19533 1 718 . 1 1 64 64 ILE HG21 H 1 0.85 0.03 . 1 . . . A 64 ILE HG21 . 19533 1 719 . 1 1 64 64 ILE HG22 H 1 0.85 0.03 . 1 . . . A 64 ILE HG22 . 19533 1 720 . 1 1 64 64 ILE HG23 H 1 0.85 0.03 . 1 . . . A 64 ILE HG23 . 19533 1 721 . 1 1 64 64 ILE HD11 H 1 0.76 0.03 . 1 . . . A 64 ILE HD11 . 19533 1 722 . 1 1 64 64 ILE HD12 H 1 0.76 0.03 . 1 . . . A 64 ILE HD12 . 19533 1 723 . 1 1 64 64 ILE HD13 H 1 0.76 0.03 . 1 . . . A 64 ILE HD13 . 19533 1 724 . 1 1 64 64 ILE C C 13 176.83 0.20 . 1 . . . A 64 ILE C . 19533 1 725 . 1 1 64 64 ILE CA C 13 65.18 0.20 . 1 . . . A 64 ILE CA . 19533 1 726 . 1 1 64 64 ILE CB C 13 36.72 0.20 . 1 . . . A 64 ILE CB . 19533 1 727 . 1 1 64 64 ILE CG1 C 13 28.97 0.20 . 1 . . . A 64 ILE CG1 . 19533 1 728 . 1 1 64 64 ILE CG2 C 13 17.59 0.20 . 1 . . . A 64 ILE CG2 . 19533 1 729 . 1 1 64 64 ILE CD1 C 13 13.63 0.20 . 1 . . . A 64 ILE CD1 . 19533 1 730 . 1 1 64 64 ILE N N 15 119.80 0.20 . 1 . . . A 64 ILE N . 19533 1 731 . 1 1 65 65 ASP H H 1 7.79 0.03 . 1 . . . A 65 ASP H . 19533 1 732 . 1 1 65 65 ASP HA H 1 4.22 0.03 . 1 . . . A 65 ASP HA . 19533 1 733 . 1 1 65 65 ASP HB2 H 1 2.63 0.03 . 2 . . . A 65 ASP HB2 . 19533 1 734 . 1 1 65 65 ASP HB3 H 1 2.63 0.03 . 2 . . . A 65 ASP HB3 . 19533 1 735 . 1 1 65 65 ASP C C 13 177.62 0.20 . 1 . . . A 65 ASP C . 19533 1 736 . 1 1 65 65 ASP CA C 13 57.91 0.20 . 1 . . . A 65 ASP CA . 19533 1 737 . 1 1 65 65 ASP CB C 13 42.15 0.20 . 1 . . . A 65 ASP CB . 19533 1 738 . 1 1 65 65 ASP N N 15 118.09 0.20 . 1 . . . A 65 ASP N . 19533 1 739 . 1 1 66 66 ALA H H 1 7.62 0.03 . 1 . . . A 66 ALA H . 19533 1 740 . 1 1 66 66 ALA HA H 1 3.95 0.03 . 1 . . . A 66 ALA HA . 19533 1 741 . 1 1 66 66 ALA HB1 H 1 1.38 0.03 . 1 . . . A 66 ALA HB1 . 19533 1 742 . 1 1 66 66 ALA HB2 H 1 1.38 0.03 . 1 . . . A 66 ALA HB2 . 19533 1 743 . 1 1 66 66 ALA HB3 H 1 1.38 0.03 . 1 . . . A 66 ALA HB3 . 19533 1 744 . 1 1 66 66 ALA C C 13 181.14 0.20 . 1 . . . A 66 ALA C . 19533 1 745 . 1 1 66 66 ALA CA C 13 54.97 0.20 . 1 . . . A 66 ALA CA . 19533 1 746 . 1 1 66 66 ALA CB C 13 18.67 0.20 . 1 . . . A 66 ALA CB . 19533 1 747 . 1 1 66 66 ALA N N 15 118.37 0.20 . 1 . . . A 66 ALA N . 19533 1 748 . 1 1 67 67 LEU H H 1 8.18 0.03 . 1 . . . A 67 LEU H . 19533 1 749 . 1 1 67 67 LEU HA H 1 3.95 0.03 . 1 . . . A 67 LEU HA . 19533 1 750 . 1 1 67 67 LEU HB2 H 1 1.37 0.03 . 2 . . . A 67 LEU HB2 . 19533 1 751 . 1 1 67 67 LEU HB3 H 1 1.85 0.03 . 2 . . . A 67 LEU HB3 . 19533 1 752 . 1 1 67 67 LEU HG H 1 1.41 0.03 . 1 . . . A 67 LEU HG . 19533 1 753 . 1 1 67 67 LEU HD21 H 1 0.82 0.03 . 2 . . . A 67 LEU HD21 . 19533 1 754 . 1 1 67 67 LEU HD22 H 1 0.82 0.03 . 2 . . . A 67 LEU HD22 . 19533 1 755 . 1 1 67 67 LEU HD23 H 1 0.82 0.03 . 2 . . . A 67 LEU HD23 . 19533 1 756 . 1 1 67 67 LEU C C 13 178.21 0.20 . 1 . . . A 67 LEU C . 19533 1 757 . 1 1 67 67 LEU CA C 13 57.42 0.20 . 1 . . . A 67 LEU CA . 19533 1 758 . 1 1 67 67 LEU CB C 13 42.10 0.20 . 1 . . . A 67 LEU CB . 19533 1 759 . 1 1 67 67 LEU CG C 13 25.80 0.20 . 1 . . . A 67 LEU CG . 19533 1 760 . 1 1 67 67 LEU CD2 C 13 23.66 0.20 . 2 . . . A 67 LEU CD2 . 19533 1 761 . 1 1 67 67 LEU N N 15 118.03 0.20 . 1 . . . A 67 LEU N . 19533 1 762 . 1 1 68 68 MET H H 1 7.77 0.03 . 1 . . . A 68 MET H . 19533 1 763 . 1 1 68 68 MET HA H 1 4.26 0.03 . 1 . . . A 68 MET HA . 19533 1 764 . 1 1 68 68 MET HB2 H 1 2.18 0.03 . 2 . . . A 68 MET HB2 . 19533 1 765 . 1 1 68 68 MET HB3 H 1 2.18 0.03 . 2 . . . A 68 MET HB3 . 19533 1 766 . 1 1 68 68 MET HG2 H 1 2.63 0.03 . 2 . . . A 68 MET HG2 . 19533 1 767 . 1 1 68 68 MET HG3 H 1 2.76 0.03 . 2 . . . A 68 MET HG3 . 19533 1 768 . 1 1 68 68 MET HE1 H 1 1.98 0.03 . 1 . . . A 68 MET HE1 . 19533 1 769 . 1 1 68 68 MET HE2 H 1 1.98 0.03 . 1 . . . A 68 MET HE2 . 19533 1 770 . 1 1 68 68 MET HE3 H 1 1.98 0.03 . 1 . . . A 68 MET HE3 . 19533 1 771 . 1 1 68 68 MET C C 13 177.05 0.20 . 1 . . . A 68 MET C . 19533 1 772 . 1 1 68 68 MET CA C 13 56.99 0.20 . 1 . . . A 68 MET CA . 19533 1 773 . 1 1 68 68 MET CB C 13 32.39 0.20 . 1 . . . A 68 MET CB . 19533 1 774 . 1 1 68 68 MET CG C 13 32.71 0.20 . 1 . . . A 68 MET CG . 19533 1 775 . 1 1 68 68 MET CE C 13 17.00 0.20 . 1 . . . A 68 MET CE . 19533 1 776 . 1 1 68 68 MET N N 15 114.28 0.20 . 1 . . . A 68 MET N . 19533 1 777 . 1 1 69 69 ARG H H 1 7.18 0.03 . 1 . . . A 69 ARG H . 19533 1 778 . 1 1 69 69 ARG HA H 1 4.41 0.03 . 1 . . . A 69 ARG HA . 19533 1 779 . 1 1 69 69 ARG HB2 H 1 1.64 0.03 . 2 . . . A 69 ARG HB2 . 19533 1 780 . 1 1 69 69 ARG HB3 H 1 1.99 0.03 . 2 . . . A 69 ARG HB3 . 19533 1 781 . 1 1 69 69 ARG HG2 H 1 1.62 0.03 . 2 . . . A 69 ARG HG2 . 19533 1 782 . 1 1 69 69 ARG HG3 H 1 1.62 0.03 . 2 . . . A 69 ARG HG3 . 19533 1 783 . 1 1 69 69 ARG HD2 H 1 3.05 0.03 . 2 . . . A 69 ARG HD2 . 19533 1 784 . 1 1 69 69 ARG HD3 H 1 3.15 0.03 . 2 . . . A 69 ARG HD3 . 19533 1 785 . 1 1 69 69 ARG C C 13 176.48 0.20 . 1 . . . A 69 ARG C . 19533 1 786 . 1 1 69 69 ARG CA C 13 55.56 0.20 . 1 . . . A 69 ARG CA . 19533 1 787 . 1 1 69 69 ARG CB C 13 30.97 0.20 . 1 . . . A 69 ARG CB . 19533 1 788 . 1 1 69 69 ARG CG C 13 27.74 0.20 . 1 . . . A 69 ARG CG . 19533 1 789 . 1 1 69 69 ARG CD C 13 43.43 0.20 . 1 . . . A 69 ARG CD . 19533 1 790 . 1 1 69 69 ARG N N 15 115.48 0.20 . 1 . . . A 69 ARG N . 19533 1 791 . 1 1 70 70 ILE H H 1 7.07 0.03 . 1 . . . A 70 ILE H . 19533 1 792 . 1 1 70 70 ILE HA H 1 3.93 0.03 . 1 . . . A 70 ILE HA . 19533 1 793 . 1 1 70 70 ILE HB H 1 1.88 0.03 . 1 . . . A 70 ILE HB . 19533 1 794 . 1 1 70 70 ILE HG12 H 1 1.17 0.03 . 2 . . . A 70 ILE HG12 . 19533 1 795 . 1 1 70 70 ILE HG13 H 1 1.69 0.03 . 2 . . . A 70 ILE HG13 . 19533 1 796 . 1 1 70 70 ILE HG21 H 1 0.85 0.03 . 1 . . . A 70 ILE HG21 . 19533 1 797 . 1 1 70 70 ILE HG22 H 1 0.85 0.03 . 1 . . . A 70 ILE HG22 . 19533 1 798 . 1 1 70 70 ILE HG23 H 1 0.85 0.03 . 1 . . . A 70 ILE HG23 . 19533 1 799 . 1 1 70 70 ILE HD11 H 1 0.80 0.03 . 1 . . . A 70 ILE HD11 . 19533 1 800 . 1 1 70 70 ILE HD12 H 1 0.80 0.03 . 1 . . . A 70 ILE HD12 . 19533 1 801 . 1 1 70 70 ILE HD13 H 1 0.80 0.03 . 1 . . . A 70 ILE HD13 . 19533 1 802 . 1 1 70 70 ILE CA C 13 62.27 0.20 . 1 . . . A 70 ILE CA . 19533 1 803 . 1 1 70 70 ILE CB C 13 39.05 0.20 . 1 . . . A 70 ILE CB . 19533 1 804 . 1 1 70 70 ILE CG1 C 13 27.80 0.20 . 1 . . . A 70 ILE CG1 . 19533 1 805 . 1 1 70 70 ILE CG2 C 13 17.15 0.20 . 1 . . . A 70 ILE CG2 . 19533 1 806 . 1 1 70 70 ILE CD1 C 13 14.98 0.20 . 1 . . . A 70 ILE CD1 . 19533 1 807 . 1 1 70 70 ILE N N 15 119.93 0.20 . 1 . . . A 70 ILE N . 19533 1 808 . 1 1 71 71 ASN HA H 1 4.86 0.03 . 1 . . . A 71 ASN HA . 19533 1 809 . 1 1 71 71 ASN HB2 H 1 2.62 0.03 . 2 . . . A 71 ASN HB2 . 19533 1 810 . 1 1 71 71 ASN HB3 H 1 2.74 0.03 . 2 . . . A 71 ASN HB3 . 19533 1 811 . 1 1 71 71 ASN HD21 H 1 7.35 0.03 . 1 . . . A 71 ASN HD21 . 19533 1 812 . 1 1 71 71 ASN HD22 H 1 6.72 0.03 . 1 . . . A 71 ASN HD22 . 19533 1 813 . 1 1 71 71 ASN C C 13 174.19 0.20 . 1 . . . A 71 ASN C . 19533 1 814 . 1 1 71 71 ASN CA C 13 52.33 0.20 . 1 . . . A 71 ASN CA . 19533 1 815 . 1 1 71 71 ASN CB C 13 39.18 0.20 . 1 . . . A 71 ASN CB . 19533 1 816 . 1 1 71 71 ASN ND2 N 15 111.83 0.20 . 1 . . . A 71 ASN ND2 . 19533 1 817 . 1 1 72 72 LEU H H 1 8.44 0.03 . 1 . . . A 72 LEU H . 19533 1 818 . 1 1 72 72 LEU HA H 1 4.61 0.03 . 1 . . . A 72 LEU HA . 19533 1 819 . 1 1 72 72 LEU HB2 H 1 1.71 0.03 . 2 . . . A 72 LEU HB2 . 19533 1 820 . 1 1 72 72 LEU HB3 H 1 1.71 0.03 . 2 . . . A 72 LEU HB3 . 19533 1 821 . 1 1 72 72 LEU HG H 1 1.62 0.03 . 1 . . . A 72 LEU HG . 19533 1 822 . 1 1 72 72 LEU HD11 H 1 0.85 0.03 . 2 . . . A 72 LEU HD11 . 19533 1 823 . 1 1 72 72 LEU HD12 H 1 0.85 0.03 . 2 . . . A 72 LEU HD12 . 19533 1 824 . 1 1 72 72 LEU HD13 H 1 0.85 0.03 . 2 . . . A 72 LEU HD13 . 19533 1 825 . 1 1 72 72 LEU HD21 H 1 0.84 0.03 . 2 . . . A 72 LEU HD21 . 19533 1 826 . 1 1 72 72 LEU HD22 H 1 0.84 0.03 . 2 . . . A 72 LEU HD22 . 19533 1 827 . 1 1 72 72 LEU HD23 H 1 0.84 0.03 . 2 . . . A 72 LEU HD23 . 19533 1 828 . 1 1 72 72 LEU CA C 13 52.41 0.20 . 1 . . . A 72 LEU CA . 19533 1 829 . 1 1 72 72 LEU CB C 13 41.67 0.20 . 1 . . . A 72 LEU CB . 19533 1 830 . 1 1 72 72 LEU CG C 13 26.96 0.20 . 1 . . . A 72 LEU CG . 19533 1 831 . 1 1 72 72 LEU CD1 C 13 23.01 0.20 . 2 . . . A 72 LEU CD1 . 19533 1 832 . 1 1 72 72 LEU CD2 C 13 25.63 0.20 . 2 . . . A 72 LEU CD2 . 19533 1 833 . 1 1 72 72 LEU N N 15 125.70 0.20 . 1 . . . A 72 LEU N . 19533 1 834 . 1 1 73 73 PRO HA H 1 4.42 0.03 . 1 . . . A 73 PRO HA . 19533 1 835 . 1 1 73 73 PRO HB2 H 1 1.83 0.03 . 2 . . . A 73 PRO HB2 . 19533 1 836 . 1 1 73 73 PRO HB3 H 1 2.34 0.03 . 2 . . . A 73 PRO HB3 . 19533 1 837 . 1 1 73 73 PRO HG2 H 1 1.86 0.03 . 2 . . . A 73 PRO HG2 . 19533 1 838 . 1 1 73 73 PRO HG3 H 1 1.98 0.03 . 2 . . . A 73 PRO HG3 . 19533 1 839 . 1 1 73 73 PRO HD2 H 1 3.70 0.03 . 2 . . . A 73 PRO HD2 . 19533 1 840 . 1 1 73 73 PRO HD3 H 1 3.70 0.03 . 2 . . . A 73 PRO HD3 . 19533 1 841 . 1 1 73 73 PRO C C 13 176.11 0.20 . 1 . . . A 73 PRO C . 19533 1 842 . 1 1 73 73 PRO CA C 13 62.24 0.20 . 1 . . . A 73 PRO CA . 19533 1 843 . 1 1 73 73 PRO CB C 13 32.45 0.20 . 1 . . . A 73 PRO CB . 19533 1 844 . 1 1 73 73 PRO CG C 13 27.57 0.20 . 1 . . . A 73 PRO CG . 19533 1 845 . 1 1 73 73 PRO CD C 13 50.58 0.20 . 1 . . . A 73 PRO CD . 19533 1 846 . 1 1 74 74 ALA H H 1 8.16 0.03 . 1 . . . A 74 ALA H . 19533 1 847 . 1 1 74 74 ALA HA H 1 4.17 0.03 . 1 . . . A 74 ALA HA . 19533 1 848 . 1 1 74 74 ALA HB1 H 1 1.38 0.03 . 1 . . . A 74 ALA HB1 . 19533 1 849 . 1 1 74 74 ALA HB2 H 1 1.38 0.03 . 1 . . . A 74 ALA HB2 . 19533 1 850 . 1 1 74 74 ALA HB3 H 1 1.38 0.03 . 1 . . . A 74 ALA HB3 . 19533 1 851 . 1 1 74 74 ALA C C 13 178.43 0.20 . 1 . . . A 74 ALA C . 19533 1 852 . 1 1 74 74 ALA CA C 13 53.55 0.20 . 1 . . . A 74 ALA CA . 19533 1 853 . 1 1 74 74 ALA CB C 13 18.30 0.20 . 1 . . . A 74 ALA CB . 19533 1 854 . 1 1 74 74 ALA N N 15 123.29 0.20 . 1 . . . A 74 ALA N . 19533 1 855 . 1 1 75 75 GLY H H 1 8.42 0.03 . 1 . . . A 75 GLY H . 19533 1 856 . 1 1 75 75 GLY HA2 H 1 3.78 0.03 . 2 . . . A 75 GLY HA2 . 19533 1 857 . 1 1 75 75 GLY HA3 H 1 4.21 0.03 . 2 . . . A 75 GLY HA3 . 19533 1 858 . 1 1 75 75 GLY C C 13 174.14 0.20 . 1 . . . A 75 GLY C . 19533 1 859 . 1 1 75 75 GLY CA C 13 45.02 0.20 . 1 . . . A 75 GLY CA . 19533 1 860 . 1 1 75 75 GLY N N 15 106.75 0.20 . 1 . . . A 75 GLY N . 19533 1 861 . 1 1 76 76 VAL H H 1 7.46 0.03 . 1 . . . A 76 VAL H . 19533 1 862 . 1 1 76 76 VAL HA H 1 4.66 0.03 . 1 . . . A 76 VAL HA . 19533 1 863 . 1 1 76 76 VAL HB H 1 1.96 0.03 . 1 . . . A 76 VAL HB . 19533 1 864 . 1 1 76 76 VAL HG11 H 1 0.75 0.03 . 2 . . . A 76 VAL HG11 . 19533 1 865 . 1 1 76 76 VAL HG12 H 1 0.75 0.03 . 2 . . . A 76 VAL HG12 . 19533 1 866 . 1 1 76 76 VAL HG13 H 1 0.75 0.03 . 2 . . . A 76 VAL HG13 . 19533 1 867 . 1 1 76 76 VAL HG21 H 1 0.86 0.03 . 2 . . . A 76 VAL HG21 . 19533 1 868 . 1 1 76 76 VAL HG22 H 1 0.86 0.03 . 2 . . . A 76 VAL HG22 . 19533 1 869 . 1 1 76 76 VAL HG23 H 1 0.86 0.03 . 2 . . . A 76 VAL HG23 . 19533 1 870 . 1 1 76 76 VAL C C 13 174.12 0.20 . 1 . . . A 76 VAL C . 19533 1 871 . 1 1 76 76 VAL CA C 13 61.07 0.20 . 1 . . . A 76 VAL CA . 19533 1 872 . 1 1 76 76 VAL CB C 13 32.96 0.20 . 1 . . . A 76 VAL CB . 19533 1 873 . 1 1 76 76 VAL CG1 C 13 21.50 0.20 . 2 . . . A 76 VAL CG1 . 19533 1 874 . 1 1 76 76 VAL CG2 C 13 21.45 0.20 . 2 . . . A 76 VAL CG2 . 19533 1 875 . 1 1 76 76 VAL N N 15 120.55 0.20 . 1 . . . A 76 VAL N . 19533 1 876 . 1 1 77 77 ASP H H 1 8.95 0.03 . 1 . . . A 77 ASP H . 19533 1 877 . 1 1 77 77 ASP HA H 1 4.97 0.03 . 1 . . . A 77 ASP HA . 19533 1 878 . 1 1 77 77 ASP HB2 H 1 2.62 0.03 . 2 . . . A 77 ASP HB2 . 19533 1 879 . 1 1 77 77 ASP HB3 H 1 2.50 0.03 . 2 . . . A 77 ASP HB3 . 19533 1 880 . 1 1 77 77 ASP C C 13 175.02 0.20 . 1 . . . A 77 ASP C . 19533 1 881 . 1 1 77 77 ASP CA C 13 53.55 0.20 . 1 . . . A 77 ASP CA . 19533 1 882 . 1 1 77 77 ASP CB C 13 43.84 0.20 . 1 . . . A 77 ASP CB . 19533 1 883 . 1 1 77 77 ASP N N 15 128.07 0.20 . 1 . . . A 77 ASP N . 19533 1 884 . 1 1 78 78 VAL H H 1 8.46 0.03 . 1 . . . A 78 VAL H . 19533 1 885 . 1 1 78 78 VAL HA H 1 4.85 0.03 . 1 . . . A 78 VAL HA . 19533 1 886 . 1 1 78 78 VAL HB H 1 1.89 0.03 . 1 . . . A 78 VAL HB . 19533 1 887 . 1 1 78 78 VAL HG11 H 1 0.82 0.03 . 2 . . . A 78 VAL HG11 . 19533 1 888 . 1 1 78 78 VAL HG12 H 1 0.82 0.03 . 2 . . . A 78 VAL HG12 . 19533 1 889 . 1 1 78 78 VAL HG13 H 1 0.82 0.03 . 2 . . . A 78 VAL HG13 . 19533 1 890 . 1 1 78 78 VAL HG21 H 1 0.74 0.03 . 2 . . . A 78 VAL HG21 . 19533 1 891 . 1 1 78 78 VAL HG22 H 1 0.74 0.03 . 2 . . . A 78 VAL HG22 . 19533 1 892 . 1 1 78 78 VAL HG23 H 1 0.74 0.03 . 2 . . . A 78 VAL HG23 . 19533 1 893 . 1 1 78 78 VAL C C 13 174.28 0.20 . 1 . . . A 78 VAL C . 19533 1 894 . 1 1 78 78 VAL CA C 13 60.72 0.20 . 1 . . . A 78 VAL CA . 19533 1 895 . 1 1 78 78 VAL CB C 13 34.60 0.20 . 1 . . . A 78 VAL CB . 19533 1 896 . 1 1 78 78 VAL N N 15 122.00 0.20 . 1 . . . A 78 VAL N . 19533 1 897 . 1 1 79 79 GLU H H 1 8.82 0.03 . 1 . . . A 79 GLU H . 19533 1 898 . 1 1 79 79 GLU CA C 13 54.80 0.20 . 1 . . . A 79 GLU CA . 19533 1 899 . 1 1 79 79 GLU CB C 13 33.61 0.20 . 1 . . . A 79 GLU CB . 19533 1 900 . 1 1 79 79 GLU N N 15 127.38 0.20 . 1 . . . A 79 GLU N . 19533 1 stop_ save_