data_17284 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17284 _Entry.Title ; Solution NMR structure of E2 lipoyl domain from Thermoplasma acidophilum ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-11-05 _Entry.Accession_date 2010-11-05 _Entry.Last_release_date 2012-07-25 _Entry.Original_release_date 2012-07-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Stefan Bagby . . . 17284 2 Mareike Posner . . . 17284 3 Abhishek Upadhyay . . . 17284 4 Michael Danson . . . 17284 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' . 17284 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'E2 lipoyl domain' . 17284 'Thermoplasma acidophilum' . 17284 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17284 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 327 17284 '15N chemical shifts' 71 17284 '1H chemical shifts' 541 17284 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 . . 2012-07-25 2010-11-05 original author . 17284 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L5T 'BMRB Entry Tracking System' 17284 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17284 _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 'Thermoplasmsa acidophilum lipoylation machinery' _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 Mareike Posner . . . 17284 1 2 Abhishek Upadhyay . . . 17284 1 3 Michael Danson . . . 17284 1 4 Stefan Bagby . . . 17284 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17284 _Assembly.ID 1 _Assembly.Name E2_lipoyl_domain _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 'E2 lipoyl domain' 1 $E2_lipoyl_domain A . yes native no no . . . 17284 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_E2_lipoyl_domain _Entity.Sf_category entity _Entity.Sf_framecode E2_lipoyl_domain _Entity.Entry_ID 17284 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name E2_lipoyl_domain _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 ; MYEFKLPDIGEGVTEGEIVR WDVKEGDMVEKDQDLVEVMT DKVTVKIPSPVRGKIVKILY REGQVVPVGSTLLQIDT ; _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 77 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8671.096 _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 2L5T . "Solution Nmr Structure Of E2 Lipoyl Domain From Thermoplasma Acidophilum" . . . . . 100.00 77 100.00 100.00 2.74e-44 . . . . 17284 1 2 no EMBL CAC12556 . "probable lipoamide acyltransferase [Thermoplasma acidophilum]" . . . . . 100.00 400 100.00 100.00 1.00e-42 . . . . 17284 1 3 no REF WP_010901839 . "branched-chain alpha-keto acid dehydrogenase subunit E2 [Thermoplasma acidophilum]" . . . . . 100.00 400 100.00 100.00 1.00e-42 . . . . 17284 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17284 1 2 . TYR . 17284 1 3 . GLU . 17284 1 4 . PHE . 17284 1 5 . LYS . 17284 1 6 . LEU . 17284 1 7 . PRO . 17284 1 8 . ASP . 17284 1 9 . ILE . 17284 1 10 . GLY . 17284 1 11 . GLU . 17284 1 12 . GLY . 17284 1 13 . VAL . 17284 1 14 . THR . 17284 1 15 . GLU . 17284 1 16 . GLY . 17284 1 17 . GLU . 17284 1 18 . ILE . 17284 1 19 . VAL . 17284 1 20 . ARG . 17284 1 21 . TRP . 17284 1 22 . ASP . 17284 1 23 . VAL . 17284 1 24 . LYS . 17284 1 25 . GLU . 17284 1 26 . GLY . 17284 1 27 . ASP . 17284 1 28 . MET . 17284 1 29 . VAL . 17284 1 30 . GLU . 17284 1 31 . LYS . 17284 1 32 . ASP . 17284 1 33 . GLN . 17284 1 34 . ASP . 17284 1 35 . LEU . 17284 1 36 . VAL . 17284 1 37 . GLU . 17284 1 38 . VAL . 17284 1 39 . MET . 17284 1 40 . THR . 17284 1 41 . ASP . 17284 1 42 . LYS . 17284 1 43 . VAL . 17284 1 44 . THR . 17284 1 45 . VAL . 17284 1 46 . LYS . 17284 1 47 . ILE . 17284 1 48 . PRO . 17284 1 49 . SER . 17284 1 50 . PRO . 17284 1 51 . VAL . 17284 1 52 . ARG . 17284 1 53 . GLY . 17284 1 54 . LYS . 17284 1 55 . ILE . 17284 1 56 . VAL . 17284 1 57 . LYS . 17284 1 58 . ILE . 17284 1 59 . LEU . 17284 1 60 . TYR . 17284 1 61 . ARG . 17284 1 62 . GLU . 17284 1 63 . GLY . 17284 1 64 . GLN . 17284 1 65 . VAL . 17284 1 66 . VAL . 17284 1 67 . PRO . 17284 1 68 . VAL . 17284 1 69 . GLY . 17284 1 70 . SER . 17284 1 71 . THR . 17284 1 72 . LEU . 17284 1 73 . LEU . 17284 1 74 . GLN . 17284 1 75 . ILE . 17284 1 76 . ASP . 17284 1 77 . THR . 17284 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 17284 1 . TYR 2 2 17284 1 . GLU 3 3 17284 1 . PHE 4 4 17284 1 . LYS 5 5 17284 1 . LEU 6 6 17284 1 . PRO 7 7 17284 1 . ASP 8 8 17284 1 . ILE 9 9 17284 1 . GLY 10 10 17284 1 . GLU 11 11 17284 1 . GLY 12 12 17284 1 . VAL 13 13 17284 1 . THR 14 14 17284 1 . GLU 15 15 17284 1 . GLY 16 16 17284 1 . GLU 17 17 17284 1 . ILE 18 18 17284 1 . VAL 19 19 17284 1 . ARG 20 20 17284 1 . TRP 21 21 17284 1 . ASP 22 22 17284 1 . VAL 23 23 17284 1 . LYS 24 24 17284 1 . GLU 25 25 17284 1 . GLY 26 26 17284 1 . ASP 27 27 17284 1 . MET 28 28 17284 1 . VAL 29 29 17284 1 . GLU 30 30 17284 1 . LYS 31 31 17284 1 . ASP 32 32 17284 1 . GLN 33 33 17284 1 . ASP 34 34 17284 1 . LEU 35 35 17284 1 . VAL 36 36 17284 1 . GLU 37 37 17284 1 . VAL 38 38 17284 1 . MET 39 39 17284 1 . THR 40 40 17284 1 . ASP 41 41 17284 1 . LYS 42 42 17284 1 . VAL 43 43 17284 1 . THR 44 44 17284 1 . VAL 45 45 17284 1 . LYS 46 46 17284 1 . ILE 47 47 17284 1 . PRO 48 48 17284 1 . SER 49 49 17284 1 . PRO 50 50 17284 1 . VAL 51 51 17284 1 . ARG 52 52 17284 1 . GLY 53 53 17284 1 . LYS 54 54 17284 1 . ILE 55 55 17284 1 . VAL 56 56 17284 1 . LYS 57 57 17284 1 . ILE 58 58 17284 1 . LEU 59 59 17284 1 . TYR 60 60 17284 1 . ARG 61 61 17284 1 . GLU 62 62 17284 1 . GLY 63 63 17284 1 . GLN 64 64 17284 1 . VAL 65 65 17284 1 . VAL 66 66 17284 1 . PRO 67 67 17284 1 . VAL 68 68 17284 1 . GLY 69 69 17284 1 . SER 70 70 17284 1 . THR 71 71 17284 1 . LEU 72 72 17284 1 . LEU 73 73 17284 1 . GLN 74 74 17284 1 . ILE 75 75 17284 1 . ASP 76 76 17284 1 . THR 77 77 17284 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 17284 _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 $E2_lipoyl_domain . 2303 organism . 'Thermoplasma acidophilum' 'Thermoplasma acidophilum' . . Archaea . Thermoplasma acidophilum . . . . . . . . . . . . . . . . . . . . . 17284 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 17284 _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 $E2_lipoyl_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET19b . . . . . . 17284 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17284 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 7.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17284 1 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 17284 1 3 H2O 'natural abundance' . . . . . . 93 . . % . . . . 17284 1 4 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17284 1 5 E2_lipoyl_domain '[U-13C; U-15N]' . . 1 $E2_lipoyl_domain . . 1 . . mM . . . . 17284 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 17284 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 17284 1 pH 7.5 . pH 17284 1 pressure 1 . atm 17284 1 temperature 310 . K 17284 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17284 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.26 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17284 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17284 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17284 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17284 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17284 2 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 17284 _Software.ID 3 _Software.Name Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 17284 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17284 3 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 17284 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17284 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 17284 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 17284 1 2 spectrometer_2 Varian INOVA . 800 . . . 17284 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 17284 _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 . . . . . . . . . . . . . . . . 17284 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17284 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17284 1 4 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17284 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17284 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17284 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17284 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17284 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17284 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17284 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 17284 _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 . . . . . . . . . 17284 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17284 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17284 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 17284 _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' . . . 17284 1 2 '3D CBCA(CO)NH' . . . 17284 1 3 '3D HNCACB' . . . 17284 1 4 '3D HBHA(CO)NH' . . . 17284 1 5 '3D C(CO)NH' . . . 17284 1 6 '3D HNCO' . . . 17284 1 7 '3D HCCH-TOCSY' . . . 17284 1 8 '3D H(CCO)NH' . . . 17284 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.224 0.02 . 1 . . . . 1 M H . 17284 1 2 . 1 1 1 1 MET HA H 1 4.797 0.02 . 1 . . . . 1 M HA . 17284 1 3 . 1 1 1 1 MET HB2 H 1 1.983 0.02 . 2 . . . . 1 M HB2 . 17284 1 4 . 1 1 1 1 MET HB3 H 1 1.908 0.02 . 2 . . . . 1 M HB3 . 17284 1 5 . 1 1 1 1 MET HG2 H 1 2.459 0.02 . 2 . . . . 1 M HG# . 17284 1 6 . 1 1 1 1 MET HG3 H 1 2.459 0.02 . 2 . . . . 1 M HG# . 17284 1 7 . 1 1 1 1 MET C C 13 173.922 0.1 . 1 . . . . 1 M C . 17284 1 8 . 1 1 1 1 MET CA C 13 55.777 0.1 . 1 . . . . 1 M CA . 17284 1 9 . 1 1 1 1 MET CB C 13 33.812 0.1 . 1 . . . . 1 M CB . 17284 1 10 . 1 1 1 1 MET CG C 13 32.825 0.1 . 1 . . . . 1 M CG . 17284 1 11 . 1 1 1 1 MET N N 15 123.087 0.2 . 1 . . . . 1 M N . 17284 1 12 . 1 1 2 2 TYR H H 1 9.283 0.02 . 1 . . . . 2 Y H . 17284 1 13 . 1 1 2 2 TYR HA H 1 4.510 0.02 . 1 . . . . 2 Y HA . 17284 1 14 . 1 1 2 2 TYR HB2 H 1 3.081 0.02 . 2 . . . . 2 Y HB2 . 17284 1 15 . 1 1 2 2 TYR HB3 H 1 2.992 0.02 . 2 . . . . 2 Y HB3 . 17284 1 16 . 1 1 2 2 TYR HD1 H 1 6.967 0.02 . 3 . . . . 2 Y HD# . 17284 1 17 . 1 1 2 2 TYR HD2 H 1 6.967 0.02 . 3 . . . . 2 Y HD# . 17284 1 18 . 1 1 2 2 TYR C C 13 173.783 0.1 . 1 . . . . 2 Y C . 17284 1 19 . 1 1 2 2 TYR CA C 13 58.534 0.1 . 1 . . . . 2 Y CA . 17284 1 20 . 1 1 2 2 TYR CB C 13 40.816 0.1 . 1 . . . . 2 Y CB . 17284 1 21 . 1 1 2 2 TYR N N 15 127.456 0.2 . 1 . . . . 2 Y N . 17284 1 22 . 1 1 3 3 GLU H H 1 7.980 0.02 . 1 . . . . 3 E H . 17284 1 23 . 1 1 3 3 GLU HA H 1 4.583 0.02 . 1 . . . . 3 E HA . 17284 1 24 . 1 1 3 3 GLU HB2 H 1 1.818 0.02 . 2 . . . . 3 E HB2 . 17284 1 25 . 1 1 3 3 GLU HB3 H 1 1.817 0.02 . 2 . . . . 3 E HB3 . 17284 1 26 . 1 1 3 3 GLU HG2 H 1 2.313 0.02 . 2 . . . . 3 E HG2 . 17284 1 27 . 1 1 3 3 GLU HG3 H 1 1.913 0.02 . 2 . . . . 3 E HG3 . 17284 1 28 . 1 1 3 3 GLU C C 13 172.708 0.1 . 1 . . . . 3 E C . 17284 1 29 . 1 1 3 3 GLU CA C 13 55.484 0.1 . 1 . . . . 3 E CA . 17284 1 30 . 1 1 3 3 GLU CB C 13 30.659 0.1 . 1 . . . . 3 E CB . 17284 1 31 . 1 1 3 3 GLU CG C 13 37.822 0.1 . 1 . . . . 3 E CG . 17284 1 32 . 1 1 3 3 GLU N N 15 128.407 0.2 . 1 . . . . 3 E N . 17284 1 33 . 1 1 4 4 PHE H H 1 8.342 0.02 . 1 . . . . 4 F H . 17284 1 34 . 1 1 4 4 PHE HA H 1 4.889 0.02 . 1 . . . . 4 F HA . 17284 1 35 . 1 1 4 4 PHE HB2 H 1 3.154 0.02 . 2 . . . . 4 F HB2 . 17284 1 36 . 1 1 4 4 PHE HB3 H 1 2.950 0.02 . 2 . . . . 4 F HB3 . 17284 1 37 . 1 1 4 4 PHE HD1 H 1 7.338 0.02 . 3 . . . . 4 F HD# . 17284 1 38 . 1 1 4 4 PHE HD2 H 1 7.338 0.02 . 3 . . . . 4 F HD# . 17284 1 39 . 1 1 4 4 PHE HE1 H 1 6.753 0.02 . 3 . . . . 4 F HE# . 17284 1 40 . 1 1 4 4 PHE HE2 H 1 6.753 0.02 . 3 . . . . 4 F HE# . 17284 1 41 . 1 1 4 4 PHE HZ H 1 6.964 0.02 . 1 . . . . 4 F HZ . 17284 1 42 . 1 1 4 4 PHE C C 13 172.764 0.1 . 1 . . . . 4 F C . 17284 1 43 . 1 1 4 4 PHE CA C 13 56.688 0.1 . 1 . . . . 4 F CA . 17284 1 44 . 1 1 4 4 PHE CB C 13 40.682 0.1 . 1 . . . . 4 F CB . 17284 1 45 . 1 1 4 4 PHE CE1 C 13 132.230 0.1 . 1 . . . . 4 F CE# . 17284 1 46 . 1 1 4 4 PHE CE2 C 13 132.230 0.1 . 1 . . . . 4 F CE# . 17284 1 47 . 1 1 4 4 PHE N N 15 124.712 0.2 . 1 . . . . 4 F N . 17284 1 48 . 1 1 5 5 LYS H H 1 8.123 0.02 . 1 . . . . 5 K H . 17284 1 49 . 1 1 5 5 LYS HA H 1 4.786 0.02 . 1 . . . . 5 K HA . 17284 1 50 . 1 1 5 5 LYS HB2 H 1 1.309 0.02 . 2 . . . . 5 K HB2 . 17284 1 51 . 1 1 5 5 LYS HB3 H 1 1.094 0.02 . 2 . . . . 5 K HB3 . 17284 1 52 . 1 1 5 5 LYS HG2 H 1 1.157 0.02 . 2 . . . . 5 K HG# . 17284 1 53 . 1 1 5 5 LYS HG3 H 1 1.157 0.02 . 2 . . . . 5 K HG# . 17284 1 54 . 1 1 5 5 LYS HD2 H 1 1.505 0.02 . 2 . . . . 5 K HD# . 17284 1 55 . 1 1 5 5 LYS HD3 H 1 1.505 0.02 . 2 . . . . 5 K HD# . 17284 1 56 . 1 1 5 5 LYS HE2 H 1 2.871 0.02 . 2 . . . . 5 K HE# . 17284 1 57 . 1 1 5 5 LYS HE3 H 1 2.871 0.02 . 2 . . . . 5 K HE# . 17284 1 58 . 1 1 5 5 LYS C C 13 174.273 0.1 . 1 . . . . 5 K C . 17284 1 59 . 1 1 5 5 LYS CA C 13 54.241 0.1 . 1 . . . . 5 K CA . 17284 1 60 . 1 1 5 5 LYS CB C 13 34.501 0.1 . 1 . . . . 5 K CB . 17284 1 61 . 1 1 5 5 LYS CD C 13 29.187 0.1 . 1 . . . . 5 K CD . 17284 1 62 . 1 1 5 5 LYS CE C 13 42.887 0.1 . 1 . . . . 5 K CE . 17284 1 63 . 1 1 5 5 LYS N N 15 130.485 0.2 . 1 . . . . 5 K N . 17284 1 64 . 1 1 6 6 LEU H H 1 7.921 0.02 . 1 . . . . 6 L H . 17284 1 65 . 1 1 6 6 LEU HA H 1 4.002 0.02 . 1 . . . . 6 L HA . 17284 1 66 . 1 1 6 6 LEU HB2 H 1 1.114 0.02 . 2 . . . . 6 L HB2 . 17284 1 67 . 1 1 6 6 LEU HB3 H 1 1.879 0.02 . 2 . . . . 6 L HB3 . 17284 1 68 . 1 1 6 6 LEU HD11 H 1 0.743 0.02 . 2 . . . . 6 L HD1# . 17284 1 69 . 1 1 6 6 LEU HD12 H 1 0.743 0.02 . 2 . . . . 6 L HD1# . 17284 1 70 . 1 1 6 6 LEU HD13 H 1 0.743 0.02 . 2 . . . . 6 L HD1# . 17284 1 71 . 1 1 6 6 LEU HD21 H 1 0.602 0.02 . 2 . . . . 6 L HD2# . 17284 1 72 . 1 1 6 6 LEU HD22 H 1 0.602 0.02 . 2 . . . . 6 L HD2# . 17284 1 73 . 1 1 6 6 LEU HD23 H 1 0.602 0.02 . 2 . . . . 6 L HD2# . 17284 1 74 . 1 1 6 6 LEU C C 13 173.388 0.1 . 1 . . . . 6 L C . 17284 1 75 . 1 1 6 6 LEU CA C 13 53.534 0.1 . 1 . . . . 6 L CA . 17284 1 76 . 1 1 6 6 LEU CB C 13 42.028 0.1 . 1 . . . . 6 L CB . 17284 1 77 . 1 1 6 6 LEU CD1 C 13 25.563 0.1 . 2 . . . . 6 L CD1 . 17284 1 78 . 1 1 6 6 LEU CD2 C 13 26.752 0.1 . 2 . . . . 6 L CD2 . 17284 1 79 . 1 1 6 6 LEU N N 15 122.196 0.2 . 1 . . . . 6 L N . 17284 1 80 . 1 1 7 7 PRO HA H 1 4.505 0.02 . 1 . . . . 7 P HA . 17284 1 81 . 1 1 7 7 PRO HB2 H 1 2.248 0.02 . 2 . . . . 7 P HB2 . 17284 1 82 . 1 1 7 7 PRO HB3 H 1 2.070 0.02 . 2 . . . . 7 P HB3 . 17284 1 83 . 1 1 7 7 PRO HG2 H 1 2.072 0.02 . 2 . . . . 7 P HG2 . 17284 1 84 . 1 1 7 7 PRO HG3 H 1 1.817 0.02 . 2 . . . . 7 P HG3 . 17284 1 85 . 1 1 7 7 PRO HD2 H 1 4.031 0.02 . 2 . . . . 7 P HD2 . 17284 1 86 . 1 1 7 7 PRO HD3 H 1 3.379 0.02 . 2 . . . . 7 P HD3 . 17284 1 87 . 1 1 7 7 PRO C C 13 171.405 0.1 . 1 . . . . 7 P C . 17284 1 88 . 1 1 7 7 PRO CA C 13 62.611 0.1 . 1 . . . . 7 P CA . 17284 1 89 . 1 1 7 7 PRO CB C 13 33.189 0.1 . 1 . . . . 7 P CB . 17284 1 90 . 1 1 7 7 PRO CG C 13 26.689 0.1 . 1 . . . . 7 P CG . 17284 1 91 . 1 1 7 7 PRO CD C 13 51.379 0.1 . 1 . . . . 7 P CD . 17284 1 92 . 1 1 8 8 ASP H H 1 7.512 0.02 . 1 . . . . 8 D H . 17284 1 93 . 1 1 8 8 ASP HA H 1 4.288 0.02 . 1 . . . . 8 D HA . 17284 1 94 . 1 1 8 8 ASP HB2 H 1 2.599 0.02 . 2 . . . . 8 D HB2 . 17284 1 95 . 1 1 8 8 ASP HB3 H 1 2.469 0.02 . 2 . . . . 8 D HB3 . 17284 1 96 . 1 1 8 8 ASP C C 13 176.141 0.1 . 1 . . . . 8 D C . 17284 1 97 . 1 1 8 8 ASP CA C 13 55.840 0.1 . 1 . . . . 8 D CA . 17284 1 98 . 1 1 8 8 ASP CB C 13 41.447 0.1 . 1 . . . . 8 D CB . 17284 1 99 . 1 1 8 8 ASP N N 15 113.771 0.2 . 1 . . . . 8 D N . 17284 1 100 . 1 1 9 9 ILE H H 1 8.120 0.02 . 1 . . . . 9 I H . 17284 1 101 . 1 1 9 9 ILE HA H 1 4.292 0.02 . 1 . . . . 9 I HA . 17284 1 102 . 1 1 9 9 ILE HB H 1 1.971 0.02 . 1 . . . . 9 I HB . 17284 1 103 . 1 1 9 9 ILE HG12 H 1 1.198 0.02 . 2 . . . . 9 I HG12 . 17284 1 104 . 1 1 9 9 ILE HG13 H 1 0.997 0.02 . 2 . . . . 9 I HG13 . 17284 1 105 . 1 1 9 9 ILE HG21 H 1 0.767 0.02 . 1 . . . . 9 I HG2# . 17284 1 106 . 1 1 9 9 ILE HG22 H 1 0.767 0.02 . 1 . . . . 9 I HG2# . 17284 1 107 . 1 1 9 9 ILE HG23 H 1 0.767 0.02 . 1 . . . . 9 I HG2# . 17284 1 108 . 1 1 9 9 ILE HD11 H 1 0.506 0.02 . 1 . . . . 9 I HD1# . 17284 1 109 . 1 1 9 9 ILE HD12 H 1 0.506 0.02 . 1 . . . . 9 I HD1# . 17284 1 110 . 1 1 9 9 ILE HD13 H 1 0.506 0.02 . 1 . . . . 9 I HD1# . 17284 1 111 . 1 1 9 9 ILE C C 13 174.169 0.1 . 1 . . . . 9 I C . 17284 1 112 . 1 1 9 9 ILE CA C 13 61.332 0.1 . 1 . . . . 9 I CA . 17284 1 113 . 1 1 9 9 ILE CB C 13 38.894 0.1 . 1 . . . . 9 I CB . 17284 1 114 . 1 1 9 9 ILE CG1 C 13 25.766 0.1 . 1 . . . . 9 I CG1 . 17284 1 115 . 1 1 9 9 ILE CG2 C 13 17.952 0.1 . 1 . . . . 9 I CG2 . 17284 1 116 . 1 1 9 9 ILE CD1 C 13 13.977 0.1 . 1 . . . . 9 I CD1 . 17284 1 117 . 1 1 9 9 ILE N N 15 121.353 0.2 . 1 . . . . 9 I N . 17284 1 118 . 1 1 10 10 GLY H H 1 8.042 0.02 . 1 . . . . 10 G H . 17284 1 119 . 1 1 10 10 GLY HA2 H 1 4.242 0.02 . 2 . . . . 10 G HA2 . 17284 1 120 . 1 1 10 10 GLY HA3 H 1 3.748 0.02 . 2 . . . . 10 G HA3 . 17284 1 121 . 1 1 10 10 GLY C C 13 173.047 0.1 . 1 . . . . 10 G C . 17284 1 122 . 1 1 10 10 GLY CA C 13 45.124 0.1 . 1 . . . . 10 G CA . 17284 1 123 . 1 1 10 10 GLY N N 15 109.752 0.2 . 1 . . . . 10 G N . 17284 1 124 . 1 1 11 11 GLU C C 13 173.000 0.1 . 1 . . . . 11 E C . 17284 1 125 . 1 1 12 12 GLY HA2 H 1 4.073 0.02 . 2 . . . . 12 G HA2 . 17284 1 126 . 1 1 12 12 GLY HA3 H 1 3.711 0.02 . 2 . . . . 12 G HA3 . 17284 1 127 . 1 1 12 12 GLY C C 13 172.829 0.1 . 1 . . . . 12 G C . 17284 1 128 . 1 1 12 12 GLY CA C 13 46.036 0.1 . 1 . . . . 12 G CA . 17284 1 129 . 1 1 13 13 VAL H H 1 7.498 0.02 . 1 . . . . 13 V H . 17284 1 130 . 1 1 13 13 VAL HA H 1 4.161 0.02 . 1 . . . . 13 V HA . 17284 1 131 . 1 1 13 13 VAL HB H 1 1.991 0.02 . 1 . . . . 13 V HB . 17284 1 132 . 1 1 13 13 VAL HG11 H 1 0.925 0.02 . 2 . . . . 13 V HG1# . 17284 1 133 . 1 1 13 13 VAL HG12 H 1 0.925 0.02 . 2 . . . . 13 V HG1# . 17284 1 134 . 1 1 13 13 VAL HG13 H 1 0.925 0.02 . 2 . . . . 13 V HG1# . 17284 1 135 . 1 1 13 13 VAL HG21 H 1 0.854 0.02 . 2 . . . . 13 V HG2# . 17284 1 136 . 1 1 13 13 VAL HG22 H 1 0.854 0.02 . 2 . . . . 13 V HG2# . 17284 1 137 . 1 1 13 13 VAL HG23 H 1 0.854 0.02 . 2 . . . . 13 V HG2# . 17284 1 138 . 1 1 13 13 VAL C C 13 176.139 0.1 . 1 . . . . 13 V C . 17284 1 139 . 1 1 13 13 VAL CA C 13 62.943 0.1 . 1 . . . . 13 V CA . 17284 1 140 . 1 1 13 13 VAL CB C 13 32.356 0.1 . 1 . . . . 13 V CB . 17284 1 141 . 1 1 13 13 VAL CG1 C 13 22.877 0.1 . 2 . . . . 13 V CG1 . 17284 1 142 . 1 1 13 13 VAL N N 15 121.219 0.2 . 1 . . . . 13 V N . 17284 1 143 . 1 1 14 14 THR HA H 1 4.482 0.02 . 1 . . . . 14 T HA . 17284 1 144 . 1 1 14 14 THR HB H 1 4.391 0.02 . 1 . . . . 14 T HB . 17284 1 145 . 1 1 14 14 THR HG21 H 1 1.120 0.02 . 1 . . . . 14 T HG2# . 17284 1 146 . 1 1 14 14 THR HG22 H 1 1.120 0.02 . 1 . . . . 14 T HG2# . 17284 1 147 . 1 1 14 14 THR HG23 H 1 1.120 0.02 . 1 . . . . 14 T HG2# . 17284 1 148 . 1 1 14 14 THR C C 13 174.157 0.1 . 1 . . . . 14 T C . 17284 1 149 . 1 1 14 14 THR CA C 13 62.552 0.1 . 1 . . . . 14 T CA . 17284 1 150 . 1 1 14 14 THR CB C 13 69.749 0.1 . 1 . . . . 14 T CB . 17284 1 151 . 1 1 14 14 THR CG2 C 13 22.212 0.1 . 1 . . . . 14 T CG2 . 17284 1 152 . 1 1 15 15 GLU H H 1 7.609 0.02 . 1 . . . . 15 E H . 17284 1 153 . 1 1 15 15 GLU HA H 1 5.031 0.02 . 1 . . . . 15 E HA . 17284 1 154 . 1 1 15 15 GLU HB2 H 1 2.063 0.02 . 2 . . . . 15 E HB2 . 17284 1 155 . 1 1 15 15 GLU HB3 H 1 1.452 0.02 . 2 . . . . 15 E HB3 . 17284 1 156 . 1 1 15 15 GLU HG2 H 1 2.022 0.02 . 2 . . . . 15 E HG2 . 17284 1 157 . 1 1 15 15 GLU HG3 H 1 1.822 0.02 . 2 . . . . 15 E HG3 . 17284 1 158 . 1 1 15 15 GLU C C 13 172.280 0.1 . 1 . . . . 15 E C . 17284 1 159 . 1 1 15 15 GLU CA C 13 55.282 0.1 . 1 . . . . 15 E CA . 17284 1 160 . 1 1 15 15 GLU CB C 13 32.214 0.1 . 1 . . . . 15 E CB . 17284 1 161 . 1 1 15 15 GLU CG C 13 34.225 0.1 . 1 . . . . 15 E CG . 17284 1 162 . 1 1 15 15 GLU N N 15 120.063 0.2 . 1 . . . . 15 E N . 17284 1 163 . 1 1 16 16 GLY H H 1 8.219 0.02 . 1 . . . . 16 G H . 17284 1 164 . 1 1 16 16 GLY HA2 H 1 3.053 0.02 . 2 . . . . 16 G HA2 . 17284 1 165 . 1 1 16 16 GLY HA3 H 1 4.530 0.02 . 2 . . . . 16 G HA3 . 17284 1 166 . 1 1 16 16 GLY C C 13 169.068 0.1 . 1 . . . . 16 G C . 17284 1 167 . 1 1 16 16 GLY CA C 13 44.560 0.1 . 1 . . . . 16 G CA . 17284 1 168 . 1 1 16 16 GLY N N 15 104.738 0.2 . 1 . . . . 16 G N . 17284 1 169 . 1 1 17 17 GLU H H 1 8.546 0.02 . 1 . . . . 17 E H . 17284 1 170 . 1 1 17 17 GLU HA H 1 4.929 0.02 . 1 . . . . 17 E HA . 17284 1 171 . 1 1 17 17 GLU HB2 H 1 1.858 0.02 . 2 . . . . 17 E HB2 . 17284 1 172 . 1 1 17 17 GLU HB3 H 1 1.783 0.02 . 2 . . . . 17 E HB3 . 17284 1 173 . 1 1 17 17 GLU HG2 H 1 1.783 0.02 . 2 . . . . 17 E HG2 . 17284 1 174 . 1 1 17 17 GLU HG3 H 1 1.706 0.02 . 2 . . . . 17 E HG3 . 17284 1 175 . 1 1 17 17 GLU C C 13 175.467 0.1 . 1 . . . . 17 E C . 17284 1 176 . 1 1 17 17 GLU CA C 13 54.575 0.1 . 1 . . . . 17 E CA . 17284 1 177 . 1 1 17 17 GLU CB C 13 32.833 0.1 . 1 . . . . 17 E CB . 17284 1 178 . 1 1 17 17 GLU CG C 13 36.285 0.1 . 1 . . . . 17 E CG . 17284 1 179 . 1 1 17 17 GLU N N 15 122.233 0.2 . 1 . . . . 17 E N . 17284 1 180 . 1 1 18 18 ILE H H 1 8.494 0.02 . 1 . . . . 18 I H . 17284 1 181 . 1 1 18 18 ILE HA H 1 3.656 0.02 . 1 . . . . 18 I HA . 17284 1 182 . 1 1 18 18 ILE HB H 1 2.042 0.02 . 1 . . . . 18 I HB . 17284 1 183 . 1 1 18 18 ILE HG12 H 1 1.426 0.02 . 2 . . . . 18 I HG12 . 17284 1 184 . 1 1 18 18 ILE HG13 H 1 0.891 0.02 . 2 . . . . 18 I HG13 . 17284 1 185 . 1 1 18 18 ILE HG21 H 1 0.152 0.02 . 1 . . . . 18 I HG2# . 17284 1 186 . 1 1 18 18 ILE HG22 H 1 0.152 0.02 . 1 . . . . 18 I HG2# . 17284 1 187 . 1 1 18 18 ILE HG23 H 1 0.152 0.02 . 1 . . . . 18 I HG2# . 17284 1 188 . 1 1 18 18 ILE HD11 H 1 0.621 0.02 . 1 . . . . 18 I HD1# . 17284 1 189 . 1 1 18 18 ILE HD12 H 1 0.621 0.02 . 1 . . . . 18 I HD1# . 17284 1 190 . 1 1 18 18 ILE HD13 H 1 0.621 0.02 . 1 . . . . 18 I HD1# . 17284 1 191 . 1 1 18 18 ILE C C 13 175.019 0.1 . 1 . . . . 18 I C . 17284 1 192 . 1 1 18 18 ILE CA C 13 62.681 0.1 . 1 . . . . 18 I CA . 17284 1 193 . 1 1 18 18 ILE CB C 13 36.869 0.1 . 1 . . . . 18 I CB . 17284 1 194 . 1 1 18 18 ILE CG1 C 13 27.374 0.1 . 1 . . . . 18 I CG1 . 17284 1 195 . 1 1 18 18 ILE CG2 C 13 17.005 0.1 . 1 . . . . 18 I CG2 . 17284 1 196 . 1 1 18 18 ILE CD1 C 13 13.042 0.1 . 1 . . . . 18 I CD1 . 17284 1 197 . 1 1 18 18 ILE N N 15 126.380 0.2 . 1 . . . . 18 I N . 17284 1 198 . 1 1 19 19 VAL H H 1 8.938 0.02 . 1 . . . . 19 V H . 17284 1 199 . 1 1 19 19 VAL HA H 1 4.045 0.02 . 1 . . . . 19 V HA . 17284 1 200 . 1 1 19 19 VAL HB H 1 1.694 0.02 . 1 . . . . 19 V HB . 17284 1 201 . 1 1 19 19 VAL HG11 H 1 0.888 0.02 . 2 . . . . 19 V HG1# . 17284 1 202 . 1 1 19 19 VAL HG12 H 1 0.888 0.02 . 2 . . . . 19 V HG1# . 17284 1 203 . 1 1 19 19 VAL HG13 H 1 0.888 0.02 . 2 . . . . 19 V HG1# . 17284 1 204 . 1 1 19 19 VAL HG21 H 1 0.860 0.02 . 2 . . . . 19 V HG2# . 17284 1 205 . 1 1 19 19 VAL HG22 H 1 0.860 0.02 . 2 . . . . 19 V HG2# . 17284 1 206 . 1 1 19 19 VAL HG23 H 1 0.860 0.02 . 2 . . . . 19 V HG2# . 17284 1 207 . 1 1 19 19 VAL C C 13 174.620 0.1 . 1 . . . . 19 V C . 17284 1 208 . 1 1 19 19 VAL CA C 13 64.293 0.1 . 1 . . . . 19 V CA . 17284 1 209 . 1 1 19 19 VAL CB C 13 33.387 0.1 . 1 . . . . 19 V CB . 17284 1 210 . 1 1 19 19 VAL N N 15 131.376 0.2 . 1 . . . . 19 V N . 17284 1 211 . 1 1 20 20 ARG H H 1 7.002 0.02 . 1 . . . . 20 R H . 17284 1 212 . 1 1 20 20 ARG HA H 1 4.550 0.02 . 1 . . . . 20 R HA . 17284 1 213 . 1 1 20 20 ARG HB2 H 1 1.605 0.02 . 2 . . . . 20 R HB2 . 17284 1 214 . 1 1 20 20 ARG HB3 H 1 1.752 0.02 . 2 . . . . 20 R HB3 . 17284 1 215 . 1 1 20 20 ARG HG2 H 1 1.580 0.02 . 2 . . . . 20 R HG2 . 17284 1 216 . 1 1 20 20 ARG HG3 H 1 1.344 0.02 . 2 . . . . 20 R HG3 . 17284 1 217 . 1 1 20 20 ARG HD2 H 1 3.186 0.02 . 2 . . . . 20 R HD2 . 17284 1 218 . 1 1 20 20 ARG HD3 H 1 3.159 0.02 . 2 . . . . 20 R HD3 . 17284 1 219 . 1 1 20 20 ARG C C 13 173.390 0.1 . 1 . . . . 20 R C . 17284 1 220 . 1 1 20 20 ARG CA C 13 56.254 0.1 . 1 . . . . 20 R CA . 17284 1 221 . 1 1 20 20 ARG CB C 13 34.492 0.1 . 1 . . . . 20 R CB . 17284 1 222 . 1 1 20 20 ARG CG C 13 28.184 0.1 . 1 . . . . 20 R CG . 17284 1 223 . 1 1 20 20 ARG CD C 13 43.462 0.1 . 1 . . . . 20 R CD . 17284 1 224 . 1 1 20 20 ARG N N 15 116.119 0.2 . 1 . . . . 20 R N . 17284 1 225 . 1 1 21 21 TRP H H 1 9.333 0.02 . 1 . . . . 21 W H . 17284 1 226 . 1 1 21 21 TRP HA H 1 4.950 0.02 . 1 . . . . 21 W HA . 17284 1 227 . 1 1 21 21 TRP HB2 H 1 3.689 0.02 . 2 . . . . 21 W HB2 . 17284 1 228 . 1 1 21 21 TRP HB3 H 1 3.298 0.02 . 2 . . . . 21 W HB3 . 17284 1 229 . 1 1 21 21 TRP HD1 H 1 7.323 0.02 . 1 . . . . 21 W HD1 . 17284 1 230 . 1 1 21 21 TRP HE1 H 1 10.233 0.02 . 1 . . . . 21 W HE1 . 17284 1 231 . 1 1 21 21 TRP HE3 H 1 7.869 0.02 . 1 . . . . 21 W HE3 . 17284 1 232 . 1 1 21 21 TRP HZ3 H 1 6.761 0.02 . 1 . . . . 21 W HZ3 . 17284 1 233 . 1 1 21 21 TRP C C 13 175.415 0.1 . 1 . . . . 21 W C . 17284 1 234 . 1 1 21 21 TRP CA C 13 57.758 0.1 . 1 . . . . 21 W CA . 17284 1 235 . 1 1 21 21 TRP CB C 13 31.705 0.1 . 1 . . . . 21 W CB . 17284 1 236 . 1 1 21 21 TRP N N 15 126.254 0.2 . 1 . . . . 21 W N . 17284 1 237 . 1 1 21 21 TRP NE1 N 15 128.612 0.2 . 1 . . . . 21 W NE1 . 17284 1 238 . 1 1 22 22 ASP H H 1 8.747 0.02 . 1 . . . . 22 D H . 17284 1 239 . 1 1 22 22 ASP HA H 1 5.034 0.02 . 1 . . . . 22 D HA . 17284 1 240 . 1 1 22 22 ASP HB2 H 1 2.899 0.02 . 2 . . . . 22 D HB2 . 17284 1 241 . 1 1 22 22 ASP HB3 H 1 2.187 0.02 . 2 . . . . 22 D HB3 . 17284 1 242 . 1 1 22 22 ASP C C 13 173.936 0.1 . 1 . . . . 22 D C . 17284 1 243 . 1 1 22 22 ASP CA C 13 55.233 0.1 . 1 . . . . 22 D CA . 17284 1 244 . 1 1 22 22 ASP CB C 13 42.150 0.1 . 1 . . . . 22 D CB . 17284 1 245 . 1 1 22 22 ASP N N 15 123.405 0.2 . 1 . . . . 22 D N . 17284 1 246 . 1 1 23 23 VAL H H 1 7.378 0.02 . 1 . . . . 23 V H . 17284 1 247 . 1 1 23 23 VAL HA H 1 4.759 0.02 . 1 . . . . 23 V HA . 17284 1 248 . 1 1 23 23 VAL HB H 1 2.223 0.02 . 1 . . . . 23 V HB . 17284 1 249 . 1 1 23 23 VAL HG11 H 1 1.087 0.02 . 2 . . . . 23 V HG1# . 17284 1 250 . 1 1 23 23 VAL HG12 H 1 1.087 0.02 . 2 . . . . 23 V HG1# . 17284 1 251 . 1 1 23 23 VAL HG13 H 1 1.087 0.02 . 2 . . . . 23 V HG1# . 17284 1 252 . 1 1 23 23 VAL HG21 H 1 0.925 0.02 . 2 . . . . 23 V HG2# . 17284 1 253 . 1 1 23 23 VAL HG22 H 1 0.925 0.02 . 2 . . . . 23 V HG2# . 17284 1 254 . 1 1 23 23 VAL HG23 H 1 0.925 0.02 . 2 . . . . 23 V HG2# . 17284 1 255 . 1 1 23 23 VAL C C 13 172.142 0.1 . 1 . . . . 23 V C . 17284 1 256 . 1 1 23 23 VAL CA C 13 59.121 0.1 . 1 . . . . 23 V CA . 17284 1 257 . 1 1 23 23 VAL CB C 13 36.925 0.1 . 1 . . . . 23 V CB . 17284 1 258 . 1 1 23 23 VAL CG1 C 13 23.309 0.1 . 2 . . . . 23 V CG1 . 17284 1 259 . 1 1 23 23 VAL CG2 C 13 18.145 0.1 . 2 . . . . 23 V CG2 . 17284 1 260 . 1 1 23 23 VAL N N 15 110.006 0.2 . 1 . . . . 23 V N . 17284 1 261 . 1 1 24 24 LYS H H 1 8.549 0.02 . 1 . . . . 24 K H . 17284 1 262 . 1 1 24 24 LYS HA H 1 4.432 0.02 . 1 . . . . 24 K HA . 17284 1 263 . 1 1 24 24 LYS HB2 H 1 1.693 0.02 . 2 . . . . 24 K HB2 . 17284 1 264 . 1 1 24 24 LYS HB3 H 1 1.693 0.02 . 2 . . . . 24 K HB3 . 17284 1 265 . 1 1 24 24 LYS HG2 H 1 1.478 0.02 . 2 . . . . 24 K HG2 . 17284 1 266 . 1 1 24 24 LYS HG3 H 1 1.252 0.02 . 2 . . . . 24 K HG3 . 17284 1 267 . 1 1 24 24 LYS HD2 H 1 1.666 0.02 . 2 . . . . 24 K HD2 . 17284 1 268 . 1 1 24 24 LYS HD3 H 1 1.671 0.02 . 2 . . . . 24 K HD3 . 17284 1 269 . 1 1 24 24 LYS HE2 H 1 3.039 0.02 . 2 . . . . 24 K HE2 . 17284 1 270 . 1 1 24 24 LYS HE3 H 1 3.038 0.02 . 2 . . . . 24 K HE3 . 17284 1 271 . 1 1 24 24 LYS C C 13 174.782 0.1 . 1 . . . . 24 K C . 17284 1 272 . 1 1 24 24 LYS CA C 13 54.169 0.1 . 1 . . . . 24 K CA . 17284 1 273 . 1 1 24 24 LYS CB C 13 36.189 0.1 . 1 . . . . 24 K CB . 17284 1 274 . 1 1 24 24 LYS CG C 13 23.950 0.1 . 1 . . . . 24 K CG . 17284 1 275 . 1 1 24 24 LYS CD C 13 29.450 0.1 . 1 . . . . 24 K CD . 17284 1 276 . 1 1 24 24 LYS CE C 13 42.565 0.1 . 1 . . . . 24 K CE . 17284 1 277 . 1 1 24 24 LYS N N 15 118.779 0.2 . 1 . . . . 24 K N . 17284 1 278 . 1 1 25 25 GLU H H 1 8.550 0.02 . 1 . . . . 25 E H . 17284 1 279 . 1 1 25 25 GLU HA H 1 3.428 0.02 . 1 . . . . 25 E HA . 17284 1 280 . 1 1 25 25 GLU HB2 H 1 1.782 0.02 . 2 . . . . 25 E HB2 . 17284 1 281 . 1 1 25 25 GLU HB3 H 1 1.825 0.02 . 2 . . . . 25 E HB3 . 17284 1 282 . 1 1 25 25 GLU HG2 H 1 2.114 0.02 . 2 . . . . 25 E HG2 . 17284 1 283 . 1 1 25 25 GLU HG3 H 1 1.943 0.02 . 2 . . . . 25 E HG3 . 17284 1 284 . 1 1 25 25 GLU C C 13 176.204 0.1 . 1 . . . . 25 E C . 17284 1 285 . 1 1 25 25 GLU CA C 13 59.454 0.1 . 1 . . . . 25 E CA . 17284 1 286 . 1 1 25 25 GLU CB C 13 29.172 0.1 . 1 . . . . 25 E CB . 17284 1 287 . 1 1 25 25 GLU CG C 13 37.915 0.1 . 1 . . . . 25 E CG . 17284 1 288 . 1 1 25 25 GLU N N 15 119.913 0.2 . 1 . . . . 25 E N . 17284 1 289 . 1 1 26 26 GLY H H 1 8.954 0.02 . 1 . . . . 26 G H . 17284 1 290 . 1 1 26 26 GLY HA2 H 1 4.450 0.02 . 2 . . . . 26 G HA2 . 17284 1 291 . 1 1 26 26 GLY HA3 H 1 3.487 0.02 . 2 . . . . 26 G HA3 . 17284 1 292 . 1 1 26 26 GLY C C 13 173.065 0.1 . 1 . . . . 26 G C . 17284 1 293 . 1 1 26 26 GLY CA C 13 45.286 0.1 . 1 . . . . 26 G CA . 17284 1 294 . 1 1 26 26 GLY N N 15 113.682 0.2 . 1 . . . . 26 G N . 17284 1 295 . 1 1 27 27 ASP H H 1 7.868 0.02 . 1 . . . . 27 D H . 17284 1 296 . 1 1 27 27 ASP HA H 1 4.559 0.02 . 1 . . . . 27 D HA . 17284 1 297 . 1 1 27 27 ASP HB2 H 1 2.852 0.02 . 2 . . . . 27 D HB2 . 17284 1 298 . 1 1 27 27 ASP HB3 H 1 2.571 0.02 . 2 . . . . 27 D HB3 . 17284 1 299 . 1 1 27 27 ASP C C 13 174.678 0.1 . 1 . . . . 27 D C . 17284 1 300 . 1 1 27 27 ASP CA C 13 55.412 0.1 . 1 . . . . 27 D CA . 17284 1 301 . 1 1 27 27 ASP CB C 13 41.459 0.1 . 1 . . . . 27 D CB . 17284 1 302 . 1 1 27 27 ASP N N 15 121.391 0.2 . 1 . . . . 27 D N . 17284 1 303 . 1 1 28 28 MET H H 1 8.379 0.02 . 1 . . . . 28 M H . 17284 1 304 . 1 1 28 28 MET HA H 1 5.090 0.02 . 1 . . . . 28 M HA . 17284 1 305 . 1 1 28 28 MET HB2 H 1 2.077 0.02 . 2 . . . . 28 M HB2 . 17284 1 306 . 1 1 28 28 MET HB3 H 1 1.925 0.02 . 2 . . . . 28 M HB3 . 17284 1 307 . 1 1 28 28 MET HG2 H 1 2.565 0.02 . 2 . . . . 28 M HG2 . 17284 1 308 . 1 1 28 28 MET HG3 H 1 2.533 0.02 . 2 . . . . 28 M HG3 . 17284 1 309 . 1 1 28 28 MET C C 13 175.217 0.1 . 1 . . . . 28 M C . 17284 1 310 . 1 1 28 28 MET CA C 13 54.038 0.1 . 1 . . . . 28 M CA . 17284 1 311 . 1 1 28 28 MET CB C 13 32.074 0.1 . 1 . . . . 28 M CB . 17284 1 312 . 1 1 28 28 MET CG C 13 32.428 0.1 . 1 . . . . 28 M CG . 17284 1 313 . 1 1 28 28 MET N N 15 119.910 0.2 . 1 . . . . 28 M N . 17284 1 314 . 1 1 29 29 VAL H H 1 9.201 0.02 . 1 . . . . 29 V H . 17284 1 315 . 1 1 29 29 VAL HA H 1 4.883 0.02 . 1 . . . . 29 V HA . 17284 1 316 . 1 1 29 29 VAL HB H 1 1.890 0.02 . 1 . . . . 29 V HB . 17284 1 317 . 1 1 29 29 VAL HG11 H 1 0.819 0.02 . 2 . . . . 29 V HG1# . 17284 1 318 . 1 1 29 29 VAL HG12 H 1 0.819 0.02 . 2 . . . . 29 V HG1# . 17284 1 319 . 1 1 29 29 VAL HG13 H 1 0.819 0.02 . 2 . . . . 29 V HG1# . 17284 1 320 . 1 1 29 29 VAL HG21 H 1 0.821 0.02 . 2 . . . . 29 V HG2# . 17284 1 321 . 1 1 29 29 VAL HG22 H 1 0.821 0.02 . 2 . . . . 29 V HG2# . 17284 1 322 . 1 1 29 29 VAL HG23 H 1 0.821 0.02 . 2 . . . . 29 V HG2# . 17284 1 323 . 1 1 29 29 VAL C C 13 173.614 0.1 . 1 . . . . 29 V C . 17284 1 324 . 1 1 29 29 VAL CA C 13 59.156 0.1 . 1 . . . . 29 V CA . 17284 1 325 . 1 1 29 29 VAL CB C 13 35.480 0.1 . 1 . . . . 29 V CB . 17284 1 326 . 1 1 29 29 VAL N N 15 120.876 0.2 . 1 . . . . 29 V N . 17284 1 327 . 1 1 30 30 GLU H H 1 7.890 0.02 . 1 . . . . 30 E H . 17284 1 328 . 1 1 30 30 GLU HA H 1 4.548 0.02 . 1 . . . . 30 E HA . 17284 1 329 . 1 1 30 30 GLU HB2 H 1 2.114 0.02 . 2 . . . . 30 E HB2 . 17284 1 330 . 1 1 30 30 GLU HB3 H 1 1.681 0.02 . 2 . . . . 30 E HB3 . 17284 1 331 . 1 1 30 30 GLU HG2 H 1 2.446 0.02 . 2 . . . . 30 E HG2 . 17284 1 332 . 1 1 30 30 GLU HG3 H 1 2.252 0.02 . 2 . . . . 30 E HG3 . 17284 1 333 . 1 1 30 30 GLU C C 13 175.395 0.1 . 1 . . . . 30 E C . 17284 1 334 . 1 1 30 30 GLU CA C 13 53.820 0.1 . 1 . . . . 30 E CA . 17284 1 335 . 1 1 30 30 GLU CB C 13 32.322 0.1 . 1 . . . . 30 E CB . 17284 1 336 . 1 1 30 30 GLU CG C 13 35.989 0.1 . 1 . . . . 30 E CG . 17284 1 337 . 1 1 30 30 GLU N N 15 121.713 0.2 . 1 . . . . 30 E N . 17284 1 338 . 1 1 31 31 LYS H H 1 8.402 0.02 . 1 . . . . 31 K H . 17284 1 339 . 1 1 31 31 LYS HA H 1 3.400 0.02 . 1 . . . . 31 K HA . 17284 1 340 . 1 1 31 31 LYS HB2 H 1 1.361 0.02 . 2 . . . . 31 K HB2 . 17284 1 341 . 1 1 31 31 LYS HB3 H 1 1.592 0.02 . 2 . . . . 31 K HB3 . 17284 1 342 . 1 1 31 31 LYS HG2 H 1 1.236 0.02 . 2 . . . . 31 K HG2 . 17284 1 343 . 1 1 31 31 LYS HG3 H 1 1.156 0.02 . 2 . . . . 31 K HG3 . 17284 1 344 . 1 1 31 31 LYS HD2 H 1 1.649 0.02 . 2 . . . . 31 K HD2 . 17284 1 345 . 1 1 31 31 LYS HD3 H 1 1.551 0.02 . 2 . . . . 31 K HD3 . 17284 1 346 . 1 1 31 31 LYS HE2 H 1 2.993 0.02 . 2 . . . . 31 K HE2 . 17284 1 347 . 1 1 31 31 LYS HE3 H 1 2.993 0.02 . 2 . . . . 31 K HE3 . 17284 1 348 . 1 1 31 31 LYS C C 13 176.762 0.1 . 1 . . . . 31 K C . 17284 1 349 . 1 1 31 31 LYS CA C 13 59.248 0.1 . 1 . . . . 31 K CA . 17284 1 350 . 1 1 31 31 LYS CB C 13 32.473 0.1 . 1 . . . . 31 K CB . 17284 1 351 . 1 1 31 31 LYS CG C 13 25.715 0.1 . 1 . . . . 31 K CG . 17284 1 352 . 1 1 31 31 LYS CD C 13 29.787 0.1 . 1 . . . . 31 K CD . 17284 1 353 . 1 1 31 31 LYS CE C 13 42.550 0.1 . 1 . . . . 31 K CE . 17284 1 354 . 1 1 31 31 LYS N N 15 121.920 0.2 . 1 . . . . 31 K N . 17284 1 355 . 1 1 32 32 ASP H H 1 9.236 0.02 . 1 . . . . 32 D H . 17284 1 356 . 1 1 32 32 ASP HA H 1 4.163 0.02 . 1 . . . . 32 D HA . 17284 1 357 . 1 1 32 32 ASP HB2 H 1 3.116 0.02 . 2 . . . . 32 D HB2 . 17284 1 358 . 1 1 32 32 ASP HB3 H 1 2.864 0.02 . 2 . . . . 32 D HB3 . 17284 1 359 . 1 1 32 32 ASP C C 13 173.123 0.1 . 1 . . . . 32 D C . 17284 1 360 . 1 1 32 32 ASP CA C 13 57.861 0.1 . 1 . . . . 32 D CA . 17284 1 361 . 1 1 32 32 ASP CB C 13 39.586 0.1 . 1 . . . . 32 D CB . 17284 1 362 . 1 1 32 32 ASP N N 15 119.554 0.2 . 1 . . . . 32 D N . 17284 1 363 . 1 1 33 33 GLN H H 1 7.720 0.02 . 1 . . . . 33 Q H . 17284 1 364 . 1 1 33 33 GLN HA H 1 4.197 0.02 . 1 . . . . 33 Q HA . 17284 1 365 . 1 1 33 33 GLN HB2 H 1 2.047 0.02 . 2 . . . . 33 Q HB# . 17284 1 366 . 1 1 33 33 GLN HB3 H 1 2.047 0.02 . 2 . . . . 33 Q HB# . 17284 1 367 . 1 1 33 33 GLN HG2 H 1 2.438 0.02 . 2 . . . . 33 Q HG# . 17284 1 368 . 1 1 33 33 GLN HG3 H 1 2.438 0.02 . 2 . . . . 33 Q HG# . 17284 1 369 . 1 1 33 33 GLN C C 13 175.055 0.1 . 1 . . . . 33 Q C . 17284 1 370 . 1 1 33 33 GLN CA C 13 56.177 0.1 . 1 . . . . 33 Q CA . 17284 1 371 . 1 1 33 33 GLN CB C 13 30.443 0.1 . 1 . . . . 33 Q CB . 17284 1 372 . 1 1 33 33 GLN CG C 13 33.166 0.1 . 1 . . . . 33 Q CG . 17284 1 373 . 1 1 33 33 GLN N N 15 122.621 0.2 . 1 . . . . 33 Q N . 17284 1 374 . 1 1 34 34 ASP H H 1 8.655 0.02 . 1 . . . . 34 D H . 17284 1 375 . 1 1 34 34 ASP HA H 1 4.277 0.02 . 1 . . . . 34 D HA . 17284 1 376 . 1 1 34 34 ASP HB2 H 1 2.481 0.02 . 2 . . . . 34 D HB# . 17284 1 377 . 1 1 34 34 ASP HB3 H 1 2.481 0.02 . 2 . . . . 34 D HB# . 17284 1 378 . 1 1 34 34 ASP C C 13 174.661 0.1 . 1 . . . . 34 D C . 17284 1 379 . 1 1 34 34 ASP CA C 13 57.087 0.1 . 1 . . . . 34 D CA . 17284 1 380 . 1 1 34 34 ASP CB C 13 41.325 0.1 . 1 . . . . 34 D CB . 17284 1 381 . 1 1 34 34 ASP N N 15 127.703 0.2 . 1 . . . . 34 D N . 17284 1 382 . 1 1 35 35 LEU H H 1 8.613 0.02 . 1 . . . . 35 L H . 17284 1 383 . 1 1 35 35 LEU HA H 1 4.769 0.02 . 1 . . . . 35 L HA . 17284 1 384 . 1 1 35 35 LEU HB2 H 1 1.472 0.02 . 2 . . . . 35 L HB2 . 17284 1 385 . 1 1 35 35 LEU HB3 H 1 1.841 0.02 . 2 . . . . 35 L HB3 . 17284 1 386 . 1 1 35 35 LEU HG H 1 1.733 0.02 . 1 . . . . 35 L HG . 17284 1 387 . 1 1 35 35 LEU HD11 H 1 0.756 0.02 . 2 . . . . 35 L HD1# . 17284 1 388 . 1 1 35 35 LEU HD12 H 1 0.756 0.02 . 2 . . . . 35 L HD1# . 17284 1 389 . 1 1 35 35 LEU HD13 H 1 0.756 0.02 . 2 . . . . 35 L HD1# . 17284 1 390 . 1 1 35 35 LEU HD21 H 1 0.459 0.02 . 2 . . . . 35 L HD2# . 17284 1 391 . 1 1 35 35 LEU HD22 H 1 0.459 0.02 . 2 . . . . 35 L HD2# . 17284 1 392 . 1 1 35 35 LEU HD23 H 1 0.459 0.02 . 2 . . . . 35 L HD2# . 17284 1 393 . 1 1 35 35 LEU C C 13 175.151 0.1 . 1 . . . . 35 L C . 17284 1 394 . 1 1 35 35 LEU CA C 13 56.56 0.1 . 1 . . . . 35 L CA . 17284 1 395 . 1 1 35 35 LEU CB C 13 45.905 0.1 . 1 . . . . 35 L CB . 17284 1 396 . 1 1 35 35 LEU CG C 13 26.660 0.1 . 1 . . . . 35 L CG . 17284 1 397 . 1 1 35 35 LEU CD1 C 13 24.802 0.1 . 2 . . . . 35 L CD1 . 17284 1 398 . 1 1 35 35 LEU CD2 C 13 25.713 0.1 . 2 . . . . 35 L CD2 . 17284 1 399 . 1 1 35 35 LEU N N 15 119.809 0.2 . 1 . . . . 35 L N . 17284 1 400 . 1 1 36 36 VAL H H 1 7.296 0.02 . 1 . . . . 36 V H . 17284 1 401 . 1 1 36 36 VAL HA H 1 4.764 0.02 . 1 . . . . 36 V HA . 17284 1 402 . 1 1 36 36 VAL HB H 1 1.844 0.02 . 1 . . . . 36 V HB . 17284 1 403 . 1 1 36 36 VAL HG11 H 1 0.578 0.02 . 2 . . . . 36 V HG1# . 17284 1 404 . 1 1 36 36 VAL HG12 H 1 0.578 0.02 . 2 . . . . 36 V HG1# . 17284 1 405 . 1 1 36 36 VAL HG13 H 1 0.578 0.02 . 2 . . . . 36 V HG1# . 17284 1 406 . 1 1 36 36 VAL HG21 H 1 56.56 0.02 . 2 . . . . 36 V HG2# . 17284 1 407 . 1 1 36 36 VAL HG22 H 1 56.56 0.02 . 2 . . . . 36 V HG2# . 17284 1 408 . 1 1 36 36 VAL HG23 H 1 56.56 0.02 . 2 . . . . 36 V HG2# . 17284 1 409 . 1 1 36 36 VAL C C 13 169.684 0.1 . 1 . . . . 36 V C . 17284 1 410 . 1 1 36 36 VAL CA C 13 58.968 0.1 . 1 . . . . 36 V CA . 17284 1 411 . 1 1 36 36 VAL CB C 13 35.565 0.1 . 1 . . . . 36 V CB . 17284 1 412 . 1 1 36 36 VAL CG1 C 13 18.561 0.1 . 2 . . . . 36 V CG1 . 17284 1 413 . 1 1 36 36 VAL CG2 C 13 21.694 0.1 . 2 . . . . 36 V CG2 . 17284 1 414 . 1 1 36 36 VAL N N 15 115.121 0.2 . 1 . . . . 36 V N . 17284 1 415 . 1 1 37 37 GLU H H 1 8.233 0.02 . 1 . . . . 37 E H . 17284 1 416 . 1 1 37 37 GLU HA H 1 5.245 0.02 . 1 . . . . 37 E HA . 17284 1 417 . 1 1 37 37 GLU HB2 H 1 1.795 0.02 . 2 . . . . 37 E HB2 . 17284 1 418 . 1 1 37 37 GLU HB3 H 1 1.795 0.02 . 2 . . . . 37 E HB3 . 17284 1 419 . 1 1 37 37 GLU HG2 H 1 2.039 0.02 . 2 . . . . 37 E HG2 . 17284 1 420 . 1 1 37 37 GLU HG3 H 1 1.811 0.02 . 2 . . . . 37 E HG3 . 17284 1 421 . 1 1 37 37 GLU C C 13 174.168 0.1 . 1 . . . . 37 E C . 17284 1 422 . 1 1 37 37 GLU CA C 13 54.841 0.1 . 1 . . . . 37 E CA . 17284 1 423 . 1 1 37 37 GLU CB C 13 32.947 0.1 . 1 . . . . 37 E CB . 17284 1 424 . 1 1 37 37 GLU CG C 13 36.969 0.1 . 1 . . . . 37 E CG . 17284 1 425 . 1 1 37 37 GLU N N 15 128.195 0.2 . 1 . . . . 37 E N . 17284 1 426 . 1 1 38 38 VAL H H 1 9.101 0.02 . 1 . . . . 38 V H . 17284 1 427 . 1 1 38 38 VAL HA H 1 4.869 0.02 . 1 . . . . 38 V HA . 17284 1 428 . 1 1 38 38 VAL HB H 1 1.677 0.02 . 1 . . . . 38 V HB . 17284 1 429 . 1 1 38 38 VAL HG11 H 1 0.638 0.02 . 2 . . . . 38 V HG1# . 17284 1 430 . 1 1 38 38 VAL HG12 H 1 0.638 0.02 . 2 . . . . 38 V HG1# . 17284 1 431 . 1 1 38 38 VAL HG13 H 1 0.638 0.02 . 2 . . . . 38 V HG1# . 17284 1 432 . 1 1 38 38 VAL HG21 H 1 0.617 0.02 . 2 . . . . 38 V HG2# . 17284 1 433 . 1 1 38 38 VAL HG22 H 1 0.617 0.02 . 2 . . . . 38 V HG2# . 17284 1 434 . 1 1 38 38 VAL HG23 H 1 0.617 0.02 . 2 . . . . 38 V HG2# . 17284 1 435 . 1 1 38 38 VAL C C 13 172.028 0.1 . 1 . . . . 38 V C . 17284 1 436 . 1 1 38 38 VAL CA C 13 60.150 0.1 . 1 . . . . 38 V CA . 17284 1 437 . 1 1 38 38 VAL CB C 13 35.804 0.1 . 1 . . . . 38 V CB . 17284 1 438 . 1 1 38 38 VAL CG1 C 13 21.718 0.1 . 2 . . . . 38 V CG1 . 17284 1 439 . 1 1 38 38 VAL CG2 C 13 21.305 0.1 . 2 . . . . 38 V CG2 . 17284 1 440 . 1 1 38 38 VAL N N 15 125.725 0.2 . 1 . . . . 38 V N . 17284 1 441 . 1 1 39 39 MET H H 1 9.447 0.02 . 1 . . . . 39 M H . 17284 1 442 . 1 1 39 39 MET HA H 1 5.200 0.02 . 1 . . . . 39 M HA . 17284 1 443 . 1 1 39 39 MET HB2 H 1 1.937 0.02 . 2 . . . . 39 M HB2 . 17284 1 444 . 1 1 39 39 MET HB3 H 1 1.873 0.02 . 2 . . . . 39 M HB3 . 17284 1 445 . 1 1 39 39 MET HG2 H 1 2.455 0.02 . 2 . . . . 39 M HG2 . 17284 1 446 . 1 1 39 39 MET HG3 H 1 2.401 0.02 . 2 . . . . 39 M HG3 . 17284 1 447 . 1 1 39 39 MET C C 13 174.596 0.1 . 1 . . . . 39 M C . 17284 1 448 . 1 1 39 39 MET CA C 13 55.021 0.1 . 1 . . . . 39 M CA . 17284 1 449 . 1 1 39 39 MET CB C 13 36.300 0.1 . 1 . . . . 39 M CB . 17284 1 450 . 1 1 39 39 MET CG C 13 31.709 0.1 . 1 . . . . 39 M CG . 17284 1 451 . 1 1 39 39 MET N N 15 126.132 0.2 . 1 . . . . 39 M N . 17284 1 452 . 1 1 40 40 THR H H 1 8.734 0.02 . 1 . . . . 40 T H . 17284 1 453 . 1 1 40 40 THR HA H 1 4.862 0.02 . 1 . . . . 40 T HA . 17284 1 454 . 1 1 40 40 THR HB H 1 4.494 0.02 . 1 . . . . 40 T HB . 17284 1 455 . 1 1 40 40 THR HG21 H 1 1.233 0.02 . 1 . . . . 40 T HG2# . 17284 1 456 . 1 1 40 40 THR HG22 H 1 1.233 0.02 . 1 . . . . 40 T HG2# . 17284 1 457 . 1 1 40 40 THR HG23 H 1 1.233 0.02 . 1 . . . . 40 T HG2# . 17284 1 458 . 1 1 40 40 THR C C 13 172.711 0.1 . 1 . . . . 40 T C . 17284 1 459 . 1 1 40 40 THR CA C 13 59.566 0.1 . 1 . . . . 40 T CA . 17284 1 460 . 1 1 40 40 THR CB C 13 70.511 0.1 . 1 . . . . 40 T CB . 17284 1 461 . 1 1 40 40 THR CG2 C 13 22.375 0.1 . 1 . . . . 40 T CG2 . 17284 1 462 . 1 1 40 40 THR N N 15 118.896 0.2 . 1 . . . . 40 T N . 17284 1 463 . 1 1 41 41 ASP H H 1 8.812 0.02 . 1 . . . . 41 D H . 17284 1 464 . 1 1 41 41 ASP HA H 1 4.364 0.02 . 1 . . . . 41 D HA . 17284 1 465 . 1 1 41 41 ASP HB2 H 1 2.844 0.02 . 2 . . . . 41 D HB2 . 17284 1 466 . 1 1 41 41 ASP HB3 H 1 2.675 0.02 . 2 . . . . 41 D HB3 . 17284 1 467 . 1 1 41 41 ASP C C 13 175.144 0.1 . 1 . . . . 41 D C . 17284 1 468 . 1 1 41 41 ASP CA C 13 56.616 0.1 . 1 . . . . 41 D CA . 17284 1 469 . 1 1 41 41 ASP CB C 13 40.429 0.1 . 1 . . . . 41 D CB . 17284 1 470 . 1 1 41 41 ASP N N 15 120.972 0.2 . 1 . . . . 41 D N . 17284 1 471 . 1 1 42 42 LYS H H 1 8.153 0.02 . 1 . . . . 42 K H . 17284 1 472 . 1 1 42 42 LYS HA H 1 4.375 0.02 . 1 . . . . 42 K HA . 17284 1 473 . 1 1 42 42 LYS HB2 H 1 1.783 0.02 . 2 . . . . 42 K HB2 . 17284 1 474 . 1 1 42 42 LYS HB3 H 1 1.902 0.02 . 2 . . . . 42 K HB3 . 17284 1 475 . 1 1 42 42 LYS HG2 H 1 1.409 0.02 . 2 . . . . 42 K HG2 . 17284 1 476 . 1 1 42 42 LYS HG3 H 1 1.359 0.02 . 2 . . . . 42 K HG3 . 17284 1 477 . 1 1 42 42 LYS HD2 H 1 1.663 0.02 . 2 . . . . 42 K HD2 . 17284 1 478 . 1 1 42 42 LYS HD3 H 1 1.645 0.02 . 2 . . . . 42 K HD3 . 17284 1 479 . 1 1 42 42 LYS HE2 H 1 2.988 0.02 . 2 . . . . 42 K HE# . 17284 1 480 . 1 1 42 42 LYS HE3 H 1 2.988 0.02 . 2 . . . . 42 K HE# . 17284 1 481 . 1 1 42 42 LYS C C 13 175.120 0.1 . 1 . . . . 42 K C . 17284 1 482 . 1 1 42 42 LYS CA C 13 57.548 0.1 . 1 . . . . 42 K CA . 17284 1 483 . 1 1 42 42 LYS CB C 13 34.816 0.1 . 1 . . . . 42 K CB . 17284 1 484 . 1 1 42 42 LYS CG C 13 25.241 0.1 . 1 . . . . 42 K CG . 17284 1 485 . 1 1 42 42 LYS CD C 13 29.241 0.1 . 1 . . . . 42 K CD . 17284 1 486 . 1 1 42 42 LYS CE C 13 42.557 0.1 . 1 . . . . 42 K CE . 17284 1 487 . 1 1 42 42 LYS N N 15 116.269 0.2 . 1 . . . . 42 K N . 17284 1 488 . 1 1 43 43 VAL H H 1 7.610 0.02 . 1 . . . . 43 V H . 17284 1 489 . 1 1 43 43 VAL HA H 1 4.606 0.02 . 1 . . . . 43 V HA . 17284 1 490 . 1 1 43 43 VAL HB H 1 2.148 0.02 . 1 . . . . 43 V HB . 17284 1 491 . 1 1 43 43 VAL HG11 H 1 0.844 0.02 . 2 . . . . 43 V HG1# . 17284 1 492 . 1 1 43 43 VAL HG12 H 1 0.844 0.02 . 2 . . . . 43 V HG1# . 17284 1 493 . 1 1 43 43 VAL HG13 H 1 0.844 0.02 . 2 . . . . 43 V HG1# . 17284 1 494 . 1 1 43 43 VAL HG21 H 1 0.878 0.02 . 2 . . . . 43 V HG2# . 17284 1 495 . 1 1 43 43 VAL HG22 H 1 0.878 0.02 . 2 . . . . 43 V HG2# . 17284 1 496 . 1 1 43 43 VAL HG23 H 1 0.878 0.02 . 2 . . . . 43 V HG2# . 17284 1 497 . 1 1 43 43 VAL C C 13 173.385 0.1 . 1 . . . . 43 V C . 17284 1 498 . 1 1 43 43 VAL CA C 13 61.017 0.1 . 1 . . . . 43 V CA . 17284 1 499 . 1 1 43 43 VAL CB C 13 35.803 0.1 . 1 . . . . 43 V CB . 17284 1 500 . 1 1 43 43 VAL CG1 C 13 21.287 0.1 . 2 . . . . 43 V CG1 . 17284 1 501 . 1 1 43 43 VAL CG2 C 13 20.351 0.1 . 2 . . . . 43 V CG2 . 17284 1 502 . 1 1 43 43 VAL N N 15 116.695 0.2 . 1 . . . . 43 V N . 17284 1 503 . 1 1 44 44 THR H H 1 8.138 0.02 . 1 . . . . 44 T H . 17284 1 504 . 1 1 44 44 THR HA H 1 5.195 0.02 . 1 . . . . 44 T HA . 17284 1 505 . 1 1 44 44 THR HB H 1 3.988 0.02 . 1 . . . . 44 T HB . 17284 1 506 . 1 1 44 44 THR HG21 H 1 1.074 0.02 . 1 . . . . 44 T HG2# . 17284 1 507 . 1 1 44 44 THR HG22 H 1 1.074 0.02 . 1 . . . . 44 T HG2# . 17284 1 508 . 1 1 44 44 THR HG23 H 1 1.074 0.02 . 1 . . . . 44 T HG2# . 17284 1 509 . 1 1 44 44 THR C C 13 173.104 0.1 . 1 . . . . 44 T C . 17284 1 510 . 1 1 44 44 THR CA C 13 61.683 0.1 . 1 . . . . 44 T CA . 17284 1 511 . 1 1 44 44 THR CB C 13 70.552 0.1 . 1 . . . . 44 T CB . 17284 1 512 . 1 1 44 44 THR CG2 C 13 22.453 0.1 . 1 . . . . 44 T CG2 . 17284 1 513 . 1 1 44 44 THR N N 15 118.168 0.2 . 1 . . . . 44 T N . 17284 1 514 . 1 1 45 45 VAL H H 1 9.209 0.02 . 1 . . . . 45 V H . 17284 1 515 . 1 1 45 45 VAL HA H 1 4.486 0.02 . 1 . . . . 45 V HA . 17284 1 516 . 1 1 45 45 VAL HB H 1 1.954 0.02 . 1 . . . . 45 V HB . 17284 1 517 . 1 1 45 45 VAL HG11 H 1 0.860 0.02 . 2 . . . . 45 V HG1# . 17284 1 518 . 1 1 45 45 VAL HG12 H 1 0.860 0.02 . 2 . . . . 45 V HG1# . 17284 1 519 . 1 1 45 45 VAL HG13 H 1 0.860 0.02 . 2 . . . . 45 V HG1# . 17284 1 520 . 1 1 45 45 VAL HG21 H 1 0.852 0.02 . 2 . . . . 45 V HG2# . 17284 1 521 . 1 1 45 45 VAL HG22 H 1 0.852 0.02 . 2 . . . . 45 V HG2# . 17284 1 522 . 1 1 45 45 VAL HG23 H 1 0.852 0.02 . 2 . . . . 45 V HG2# . 17284 1 523 . 1 1 45 45 VAL C C 13 173.140 0.1 . 1 . . . . 45 V C . 17284 1 524 . 1 1 45 45 VAL CA C 13 60.581 0.1 . 1 . . . . 45 V CA . 17284 1 525 . 1 1 45 45 VAL CB C 13 35.766 0.1 . 1 . . . . 45 V CB . 17284 1 526 . 1 1 45 45 VAL CG1 C 13 21.344 0.1 . 2 . . . . 45 V CG1 . 17284 1 527 . 1 1 45 45 VAL CG2 C 13 20.478 0.1 . 2 . . . . 45 V CG2 . 17284 1 528 . 1 1 45 45 VAL N N 15 123.168 0.2 . 1 . . . . 45 V N . 17284 1 529 . 1 1 46 46 LYS H H 1 8.443 0.02 . 1 . . . . 46 K H . 17284 1 530 . 1 1 46 46 LYS HA H 1 4.953 0.02 . 1 . . . . 46 K HA . 17284 1 531 . 1 1 46 46 LYS HB2 H 1 1.650 0.02 . 2 . . . . 46 K HB2 . 17284 1 532 . 1 1 46 46 LYS HB3 H 1 1.561 0.02 . 2 . . . . 46 K HB3 . 17284 1 533 . 1 1 46 46 LYS HG2 H 1 1.413 0.02 . 2 . . . . 46 K HG2 . 17284 1 534 . 1 1 46 46 LYS HG3 H 1 1.214 0.02 . 2 . . . . 46 K HG3 . 17284 1 535 . 1 1 46 46 LYS HD2 H 1 1.583 0.02 . 2 . . . . 46 K HD# . 17284 1 536 . 1 1 46 46 LYS HD3 H 1 1.583 0.02 . 2 . . . . 46 K HD# . 17284 1 537 . 1 1 46 46 LYS HE2 H 1 2.855 0.02 . 2 . . . . 46 K HE2 . 17284 1 538 . 1 1 46 46 LYS HE3 H 1 2.855 0.02 . 2 . . . . 46 K HE3 . 17284 1 539 . 1 1 46 46 LYS C C 13 175.215 0.1 . 1 . . . . 46 K C . 17284 1 540 . 1 1 46 46 LYS CA C 13 55.453 0.1 . 1 . . . . 46 K CA . 17284 1 541 . 1 1 46 46 LYS CB C 13 33.479 0.1 . 1 . . . . 46 K CB . 17284 1 542 . 1 1 46 46 LYS CG C 13 25.407 0.1 . 1 . . . . 46 K CG . 17284 1 543 . 1 1 46 46 LYS CD C 13 29.293 0.1 . 1 . . . . 46 K CD . 17284 1 544 . 1 1 46 46 LYS CE C 13 42.047 0.1 . 1 . . . . 46 K CE . 17284 1 545 . 1 1 46 46 LYS N N 15 125.124 0.2 . 1 . . . . 46 K N . 17284 1 546 . 1 1 47 47 ILE H H 1 8.646 0.02 . 1 . . . . 47 I H . 17284 1 547 . 1 1 47 47 ILE HA H 1 4.694 0.02 . 1 . . . . 47 I HA . 17284 1 548 . 1 1 47 47 ILE HB H 1 2.018 0.02 . 1 . . . . 47 I HB . 17284 1 549 . 1 1 47 47 ILE HG12 H 1 1.203 0.02 . 2 . . . . 47 I HG12 . 17284 1 550 . 1 1 47 47 ILE HG13 H 1 1.326 0.02 . 2 . . . . 47 I HG13 . 17284 1 551 . 1 1 47 47 ILE HG21 H 1 1.160 0.02 . 1 . . . . 47 I HG2# . 17284 1 552 . 1 1 47 47 ILE HG22 H 1 1.160 0.02 . 1 . . . . 47 I HG2# . 17284 1 553 . 1 1 47 47 ILE HG23 H 1 1.160 0.02 . 1 . . . . 47 I HG2# . 17284 1 554 . 1 1 47 47 ILE HD11 H 1 0.637 0.02 . 1 . . . . 47 I HD1# . 17284 1 555 . 1 1 47 47 ILE HD12 H 1 0.637 0.02 . 1 . . . . 47 I HD1# . 17284 1 556 . 1 1 47 47 ILE HD13 H 1 0.637 0.02 . 1 . . . . 47 I HD1# . 17284 1 557 . 1 1 47 47 ILE C C 13 173.330 0.1 . 1 . . . . 47 I C . 17284 1 558 . 1 1 47 47 ILE CA C 13 57.783 0.1 . 1 . . . . 47 I CA . 17284 1 559 . 1 1 47 47 ILE CB C 13 39.191 0.1 . 1 . . . . 47 I CB . 17284 1 560 . 1 1 47 47 ILE CG2 C 13 18.097 0.1 . 1 . . . . 47 I CG2 . 17284 1 561 . 1 1 47 47 ILE CD1 C 13 12.608 0.1 . 1 . . . . 47 I CD1 . 17284 1 562 . 1 1 47 47 ILE N N 15 125.821 0.2 . 1 . . . . 47 I N . 17284 1 563 . 1 1 48 48 PRO HA H 1 5.102 0.02 . 1 . . . . 48 P HA . 17284 1 564 . 1 1 48 48 PRO HB2 H 1 2.142 0.02 . 2 . . . . 48 P HB2 . 17284 1 565 . 1 1 48 48 PRO HB3 H 1 1.598 0.02 . 2 . . . . 48 P HB3 . 17284 1 566 . 1 1 48 48 PRO HD2 H 1 3.998 0.02 . 2 . . . . 48 P HD2 . 17284 1 567 . 1 1 48 48 PRO HD3 H 1 3.842 0.02 . 2 . . . . 48 P HD3 . 17284 1 568 . 1 1 48 48 PRO C C 13 175.581 0.1 . 1 . . . . 48 P C . 17284 1 569 . 1 1 48 48 PRO CA C 13 61.296 0.1 . 1 . . . . 48 P CA . 17284 1 570 . 1 1 48 48 PRO CB C 13 33.580 0.1 . 1 . . . . 48 P CB . 17284 1 571 . 1 1 48 48 PRO CG C 13 26.434 0.1 . 1 . . . . 48 P CG . 17284 1 572 . 1 1 48 48 PRO CD C 13 51.826 0.1 . 1 . . . . 48 P CD . 17284 1 573 . 1 1 49 49 SER H H 1 8.714 0.02 . 1 . . . . 49 S H . 17284 1 574 . 1 1 49 49 SER C C 13 176.100 0.1 . 1 . . . . 49 S C . 17284 1 575 . 1 1 49 49 SER CA C 13 55.789 0.1 . 1 . . . . 49 S CA . 17284 1 576 . 1 1 49 49 SER CB C 13 64.891 0.1 . 1 . . . . 49 S CB . 17284 1 577 . 1 1 49 49 SER N N 15 112.296 0.2 . 1 . . . . 49 S N . 17284 1 578 . 1 1 50 50 PRO HA H 1 4.708 0.02 . 1 . . . . 50 P HA . 17284 1 579 . 1 1 50 50 PRO HB2 H 1 2.416 0.02 . 2 . . . . 50 P HB2 . 17284 1 580 . 1 1 50 50 PRO HB3 H 1 2.045 0.02 . 2 . . . . 50 P HB3 . 17284 1 581 . 1 1 50 50 PRO HG2 H 1 2.409 0.02 . 2 . . . . 50 P HG2 . 17284 1 582 . 1 1 50 50 PRO HG3 H 1 1.968 0.02 . 2 . . . . 50 P HG3 . 17284 1 583 . 1 1 50 50 PRO HD2 H 1 3.775 0.02 . 2 . . . . 50 P HD2 . 17284 1 584 . 1 1 50 50 PRO HD3 H 1 3.450 0.02 . 2 . . . . 50 P HD3 . 17284 1 585 . 1 1 50 50 PRO C C 13 174.647 0.1 . 1 . . . . 50 P C . 17284 1 586 . 1 1 50 50 PRO CA C 13 63.900 0.1 . 1 . . . . 50 P CA . 17284 1 587 . 1 1 50 50 PRO CB C 13 32.967 0.1 . 1 . . . . 50 P CB . 17284 1 588 . 1 1 50 50 PRO CG C 13 27.410 0.1 . 1 . . . . 50 P CG . 17284 1 589 . 1 1 50 50 PRO CD C 13 50.840 0.1 . 1 . . . . 50 P CD . 17284 1 590 . 1 1 51 51 VAL H H 1 7.270 0.02 . 1 . . . . 51 V H . 17284 1 591 . 1 1 51 51 VAL HA H 1 4.476 0.02 . 1 . . . . 51 V HA . 17284 1 592 . 1 1 51 51 VAL HB H 1 1.790 0.02 . 1 . . . . 51 V HB . 17284 1 593 . 1 1 51 51 VAL HG11 H 1 0.173 0.02 . 2 . . . . 51 V HG1# . 17284 1 594 . 1 1 51 51 VAL HG12 H 1 0.173 0.02 . 2 . . . . 51 V HG1# . 17284 1 595 . 1 1 51 51 VAL HG13 H 1 0.173 0.02 . 2 . . . . 51 V HG1# . 17284 1 596 . 1 1 51 51 VAL HG21 H 1 0.111 0.02 . 2 . . . . 51 V HG2# . 17284 1 597 . 1 1 51 51 VAL HG22 H 1 0.111 0.02 . 2 . . . . 51 V HG2# . 17284 1 598 . 1 1 51 51 VAL HG23 H 1 0.111 0.02 . 2 . . . . 51 V HG2# . 17284 1 599 . 1 1 51 51 VAL C C 13 171.803 0.1 . 1 . . . . 51 V C . 17284 1 600 . 1 1 51 51 VAL CA C 13 59.097 0.1 . 1 . . . . 51 V CA . 17284 1 601 . 1 1 51 51 VAL CB C 13 36.816 0.1 . 1 . . . . 51 V CB . 17284 1 602 . 1 1 51 51 VAL CG1 C 13 20.941 0.1 . 2 . . . . 51 V CG1 . 17284 1 603 . 1 1 51 51 VAL CG2 C 13 18.877 0.1 . 2 . . . . 51 V CG2 . 17284 1 604 . 1 1 51 51 VAL N N 15 109.808 0.2 . 1 . . . . 51 V N . 17284 1 605 . 1 1 52 52 ARG H H 1 7.899 0.02 . 1 . . . . 52 R H . 17284 1 606 . 1 1 52 52 ARG HA H 1 4.875 0.02 . 1 . . . . 52 R HA . 17284 1 607 . 1 1 52 52 ARG HB2 H 1 1.607 0.02 . 2 . . . . 52 R HB2 . 17284 1 608 . 1 1 52 52 ARG HB3 H 1 1.884 0.02 . 2 . . . . 52 R HB3 . 17284 1 609 . 1 1 52 52 ARG HG2 H 1 1.760 0.02 . 2 . . . . 52 R HG2 . 17284 1 610 . 1 1 52 52 ARG HG3 H 1 1.430 0.02 . 2 . . . . 52 R HG3 . 17284 1 611 . 1 1 52 52 ARG HD2 H 1 3.197 0.02 . 2 . . . . 52 R HD# . 17284 1 612 . 1 1 52 52 ARG HD3 H 1 3.197 0.02 . 2 . . . . 52 R HD# . 17284 1 613 . 1 1 52 52 ARG C C 13 175.083 0.1 . 1 . . . . 52 R C . 17284 1 614 . 1 1 52 52 ARG CA C 13 53.707 0.1 . 1 . . . . 52 R CA . 17284 1 615 . 1 1 52 52 ARG CB C 13 32.636 0.1 . 1 . . . . 52 R CB . 17284 1 616 . 1 1 52 52 ARG CG C 13 27.665 0.1 . 1 . . . . 52 R CG . 17284 1 617 . 1 1 52 52 ARG CD C 13 44.020 0.1 . 1 . . . . 52 R CD . 17284 1 618 . 1 1 52 52 ARG N N 15 121.607 0.2 . 1 . . . . 52 R N . 17284 1 619 . 1 1 53 53 GLY H H 1 8.263 0.02 . 1 . . . . 53 G H . 17284 1 620 . 1 1 53 53 GLY HA2 H 1 4.091 0.02 . 2 . . . . 53 G HA2 . 17284 1 621 . 1 1 53 53 GLY HA3 H 1 3.876 0.02 . 2 . . . . 53 G HA3 . 17284 1 622 . 1 1 53 53 GLY C C 13 169.019 0.1 . 1 . . . . 53 G C . 17284 1 623 . 1 1 53 53 GLY CA C 13 46.057 0.1 . 1 . . . . 53 G CA . 17284 1 624 . 1 1 53 53 GLY N N 15 111.398 0.2 . 1 . . . . 53 G N . 17284 1 625 . 1 1 54 54 LYS H H 1 8.355 0.02 . 1 . . . . 54 K H . 17284 1 626 . 1 1 54 54 LYS HA H 1 5.107 0.02 . 1 . . . . 54 K HA . 17284 1 627 . 1 1 54 54 LYS HB2 H 1 1.712 0.02 . 2 . . . . 54 K HB# . 17284 1 628 . 1 1 54 54 LYS HB3 H 1 1.712 0.02 . 2 . . . . 54 K HB# . 17284 1 629 . 1 1 54 54 LYS HG2 H 1 1.226 0.02 . 2 . . . . 54 K HG2 . 17284 1 630 . 1 1 54 54 LYS HG3 H 1 1.064 0.02 . 2 . . . . 54 K HG3 . 17284 1 631 . 1 1 54 54 LYS HD2 H 1 1.643 0.02 . 2 . . . . 54 K HD# . 17284 1 632 . 1 1 54 54 LYS HD3 H 1 1.643 0.02 . 2 . . . . 54 K HD# . 17284 1 633 . 1 1 54 54 LYS HE2 H 1 2.940 0.02 . 2 . . . . 54 K HE2 . 17284 1 634 . 1 1 54 54 LYS HE3 H 1 2.940 0.02 . 2 . . . . 54 K HE3 . 17284 1 635 . 1 1 54 54 LYS C C 13 175.506 0.1 . 1 . . . . 54 K C . 17284 1 636 . 1 1 54 54 LYS CA C 13 54.787 0.1 . 1 . . . . 54 K CA . 17284 1 637 . 1 1 54 54 LYS CB C 13 36.158 0.1 . 1 . . . . 54 K CB . 17284 1 638 . 1 1 54 54 LYS CG C 13 25.098 0.1 . 1 . . . . 54 K CG . 17284 1 639 . 1 1 54 54 LYS CD C 13 29.923 0.1 . 1 . . . . 54 K CD . 17284 1 640 . 1 1 54 54 LYS CE C 13 42.444 0.1 . 1 . . . . 54 K CE . 17284 1 641 . 1 1 54 54 LYS N N 15 121.140 0.2 . 1 . . . . 54 K N . 17284 1 642 . 1 1 55 55 ILE H H 1 9.212 0.02 . 1 . . . . 55 I H . 17284 1 643 . 1 1 55 55 ILE HA H 1 3.865 0.02 . 1 . . . . 55 I HA . 17284 1 644 . 1 1 55 55 ILE HB H 1 2.341 0.02 . 1 . . . . 55 I HB . 17284 1 645 . 1 1 55 55 ILE HG12 H 1 1.281 0.02 . 2 . . . . 55 I HG12 . 17284 1 646 . 1 1 55 55 ILE HG13 H 1 1.607 0.02 . 2 . . . . 55 I HG13 . 17284 1 647 . 1 1 55 55 ILE HG21 H 1 0.581 0.02 . 1 . . . . 55 I HG2# . 17284 1 648 . 1 1 55 55 ILE HG22 H 1 0.581 0.02 . 1 . . . . 55 I HG2# . 17284 1 649 . 1 1 55 55 ILE HG23 H 1 0.581 0.02 . 1 . . . . 55 I HG2# . 17284 1 650 . 1 1 55 55 ILE HD11 H 1 0.662 0.02 . 1 . . . . 55 I HD1# . 17284 1 651 . 1 1 55 55 ILE HD12 H 1 0.662 0.02 . 1 . . . . 55 I HD1# . 17284 1 652 . 1 1 55 55 ILE HD13 H 1 0.662 0.02 . 1 . . . . 55 I HD1# . 17284 1 653 . 1 1 55 55 ILE C C 13 175.211 0.1 . 1 . . . . 55 I C . 17284 1 654 . 1 1 55 55 ILE CA C 13 61.165 0.1 . 1 . . . . 55 I CA . 17284 1 655 . 1 1 55 55 ILE CB C 13 35.711 0.1 . 1 . . . . 55 I CB . 17284 1 656 . 1 1 55 55 ILE CG1 C 13 26.574 0.1 . 1 . . . . 55 I CG1 . 17284 1 657 . 1 1 55 55 ILE CG2 C 13 18.578 0.1 . 1 . . . . 55 I CG2 . 17284 1 658 . 1 1 55 55 ILE CD1 C 13 11.675 0.1 . 1 . . . . 55 I CD1 . 17284 1 659 . 1 1 55 55 ILE N N 15 126.182 0.2 . 1 . . . . 55 I N . 17284 1 660 . 1 1 56 56 VAL H H 1 8.740 0.02 . 1 . . . . 56 V H . 17284 1 661 . 1 1 56 56 VAL HA H 1 4.174 0.02 . 1 . . . . 56 V HA . 17284 1 662 . 1 1 56 56 VAL HB H 1 1.836 0.02 . 1 . . . . 56 V HB . 17284 1 663 . 1 1 56 56 VAL HG11 H 1 0.953 0.02 . 2 . . . . 56 V HG1# . 17284 1 664 . 1 1 56 56 VAL HG12 H 1 0.953 0.02 . 2 . . . . 56 V HG1# . 17284 1 665 . 1 1 56 56 VAL HG13 H 1 0.953 0.02 . 2 . . . . 56 V HG1# . 17284 1 666 . 1 1 56 56 VAL HG21 H 1 0.909 0.02 . 2 . . . . 56 V HG2# . 17284 1 667 . 1 1 56 56 VAL HG22 H 1 0.909 0.02 . 2 . . . . 56 V HG2# . 17284 1 668 . 1 1 56 56 VAL HG23 H 1 0.909 0.02 . 2 . . . . 56 V HG2# . 17284 1 669 . 1 1 56 56 VAL C C 13 174.542 0.1 . 1 . . . . 56 V C . 17284 1 670 . 1 1 56 56 VAL CA C 13 64.035 0.1 . 1 . . . . 56 V CA . 17284 1 671 . 1 1 56 56 VAL CB C 13 33.495 0.1 . 1 . . . . 56 V CB . 17284 1 672 . 1 1 56 56 VAL CG1 C 13 22.382 0.1 . 2 . . . . 56 V CG1 . 17284 1 673 . 1 1 56 56 VAL CG2 C 13 21.790 0.1 . 2 . . . . 56 V CG2 . 17284 1 674 . 1 1 56 56 VAL N N 15 130.318 0.2 . 1 . . . . 56 V N . 17284 1 675 . 1 1 57 57 LYS H H 1 7.209 0.02 . 1 . . . . 57 K H . 17284 1 676 . 1 1 57 57 LYS HA H 1 4.573 0.02 . 1 . . . . 57 K HA . 17284 1 677 . 1 1 57 57 LYS HB2 H 1 1.567 0.02 . 2 . . . . 57 K HB2 . 17284 1 678 . 1 1 57 57 LYS HB3 H 1 1.567 0.02 . 2 . . . . 57 K HB3 . 17284 1 679 . 1 1 57 57 LYS HG2 H 1 1.226 0.02 . 2 . . . . 57 K HG2 . 17284 1 680 . 1 1 57 57 LYS HG3 H 1 1.156 0.02 . 2 . . . . 57 K HG3 . 17284 1 681 . 1 1 57 57 LYS HD2 H 1 1.607 0.02 . 2 . . . . 57 K HD# . 17284 1 682 . 1 1 57 57 LYS HD3 H 1 1.607 0.02 . 2 . . . . 57 K HD# . 17284 1 683 . 1 1 57 57 LYS HE2 H 1 2.884 0.02 . 2 . . . . 57 K HE2 . 17284 1 684 . 1 1 57 57 LYS HE3 H 1 2.854 0.02 . 2 . . . . 57 K HE3 . 17284 1 685 . 1 1 57 57 LYS C C 13 173.238 0.1 . 1 . . . . 57 K C . 17284 1 686 . 1 1 57 57 LYS CA C 13 55.713 0.1 . 1 . . . . 57 K CA . 17284 1 687 . 1 1 57 57 LYS CB C 13 37.313 0.1 . 1 . . . . 57 K CB . 17284 1 688 . 1 1 57 57 LYS CG C 13 25.409 0.1 . 1 . . . . 57 K CG . 17284 1 689 . 1 1 57 57 LYS CD C 13 29.109 0.1 . 1 . . . . 57 K CD . 17284 1 690 . 1 1 57 57 LYS CE C 13 42.418 0.1 . 1 . . . . 57 K CE . 17284 1 691 . 1 1 57 57 LYS N N 15 117.711 0.2 . 1 . . . . 57 K N . 17284 1 692 . 1 1 58 58 ILE H H 1 9.259 0.02 . 1 . . . . 58 I H . 17284 1 693 . 1 1 58 58 ILE HA H 1 4.000 0.02 . 1 . . . . 58 I HA . 17284 1 694 . 1 1 58 58 ILE HB H 1 1.293 0.02 . 1 . . . . 58 I HB . 17284 1 695 . 1 1 58 58 ILE HG12 H 1 0.982 0.02 . 2 . . . . 58 I HG12 . 17284 1 696 . 1 1 58 58 ILE HG13 H 1 0.064 0.02 . 2 . . . . 58 I HG13 . 17284 1 697 . 1 1 58 58 ILE HG21 H 1 0.050 0.02 . 1 . . . . 58 I HG2# . 17284 1 698 . 1 1 58 58 ILE HG22 H 1 0.050 0.02 . 1 . . . . 58 I HG2# . 17284 1 699 . 1 1 58 58 ILE HG23 H 1 0.050 0.02 . 1 . . . . 58 I HG2# . 17284 1 700 . 1 1 58 58 ILE HD11 H 1 0.117 0.02 . 1 . . . . 58 I HD1# . 17284 1 701 . 1 1 58 58 ILE HD12 H 1 0.117 0.02 . 1 . . . . 58 I HD1# . 17284 1 702 . 1 1 58 58 ILE HD13 H 1 0.117 0.02 . 1 . . . . 58 I HD1# . 17284 1 703 . 1 1 58 58 ILE C C 13 175.830 0.1 . 1 . . . . 58 I C . 17284 1 704 . 1 1 58 58 ILE CA C 13 62.093 0.1 . 1 . . . . 58 I CA . 17284 1 705 . 1 1 58 58 ILE CB C 13 38.833 0.1 . 1 . . . . 58 I CB . 17284 1 706 . 1 1 58 58 ILE CG1 C 13 27.830 0.1 . 1 . . . . 58 I CG1 . 17284 1 707 . 1 1 58 58 ILE CG2 C 13 17.230 0.1 . 1 . . . . 58 I CG2 . 17284 1 708 . 1 1 58 58 ILE CD1 C 13 13.378 0.1 . 1 . . . . 58 I CD1 . 17284 1 709 . 1 1 58 58 ILE N N 15 127.847 0.2 . 1 . . . . 58 I N . 17284 1 710 . 1 1 59 59 LEU H H 1 8.207 0.02 . 1 . . . . 59 L H . 17284 1 711 . 1 1 59 59 LEU HA H 1 4.073 0.02 . 1 . . . . 59 L HA . 17284 1 712 . 1 1 59 59 LEU HB2 H 1 1.692 0.02 . 2 . . . . 59 L HB2 . 17284 1 713 . 1 1 59 59 LEU HB3 H 1 1.300 0.02 . 2 . . . . 59 L HB3 . 17284 1 714 . 1 1 59 59 LEU HG H 1 1.340 0.02 . 1 . . . . 59 L HG . 17284 1 715 . 1 1 59 59 LEU HD11 H 1 0.666 0.02 . 2 . . . . 59 L HD1# . 17284 1 716 . 1 1 59 59 LEU HD12 H 1 0.666 0.02 . 2 . . . . 59 L HD1# . 17284 1 717 . 1 1 59 59 LEU HD13 H 1 0.666 0.02 . 2 . . . . 59 L HD1# . 17284 1 718 . 1 1 59 59 LEU HD21 H 1 0.658 0.02 . 2 . . . . 59 L HD2# . 17284 1 719 . 1 1 59 59 LEU HD22 H 1 0.658 0.02 . 2 . . . . 59 L HD2# . 17284 1 720 . 1 1 59 59 LEU HD23 H 1 0.658 0.02 . 2 . . . . 59 L HD2# . 17284 1 721 . 1 1 59 59 LEU C C 13 174.879 0.1 . 1 . . . . 59 L C . 17284 1 722 . 1 1 59 59 LEU CA C 13 57.772 0.1 . 1 . . . . 59 L CA . 17284 1 723 . 1 1 59 59 LEU CB C 13 42.423 0.1 . 1 . . . . 59 L CB . 17284 1 724 . 1 1 59 59 LEU CG C 13 29.432 0.1 . 1 . . . . 59 L CG . 17284 1 725 . 1 1 59 59 LEU CD1 C 13 25.239 0.1 . 2 . . . . 59 L CD1 . 17284 1 726 . 1 1 59 59 LEU CD2 C 13 24.156 0.1 . 2 . . . . 59 L CD2 . 17284 1 727 . 1 1 59 59 LEU N N 15 126.872 0.2 . 1 . . . . 59 L N . 17284 1 728 . 1 1 60 60 TYR H H 1 7.040 0.02 . 1 . . . . 60 Y H . 17284 1 729 . 1 1 60 60 TYR HA H 1 4.900 0.02 . 1 . . . . 60 Y HA . 17284 1 730 . 1 1 60 60 TYR HB2 H 1 3.003 0.02 . 2 . . . . 60 Y HB2 . 17284 1 731 . 1 1 60 60 TYR HB3 H 1 2.571 0.02 . 2 . . . . 60 Y HB3 . 17284 1 732 . 1 1 60 60 TYR HD1 H 1 7.093 0.02 . 3 . . . . 60 Y HD# . 17284 1 733 . 1 1 60 60 TYR HD2 H 1 7.093 0.02 . 3 . . . . 60 Y HD# . 17284 1 734 . 1 1 60 60 TYR HE1 H 1 7.416 0.02 . 3 . . . . 60 Y HE# . 17284 1 735 . 1 1 60 60 TYR HE2 H 1 7.416 0.02 . 3 . . . . 60 Y HE# . 17284 1 736 . 1 1 60 60 TYR C C 13 173.617 0.1 . 1 . . . . 60 Y C . 17284 1 737 . 1 1 60 60 TYR CA C 13 57.540 0.1 . 1 . . . . 60 Y CA . 17284 1 738 . 1 1 60 60 TYR CB C 13 44.728 0.1 . 1 . . . . 60 Y CB . 17284 1 739 . 1 1 60 60 TYR N N 15 114.545 0.2 . 1 . . . . 60 Y N . 17284 1 740 . 1 1 61 61 ARG H H 1 9.112 0.02 . 1 . . . . 61 R H . 17284 1 741 . 1 1 61 61 ARG HA H 1 4.705 0.02 . 1 . . . . 61 R HA . 17284 1 742 . 1 1 61 61 ARG HB2 H 1 2.143 0.02 . 2 . . . . 61 R HB2 . 17284 1 743 . 1 1 61 61 ARG HB3 H 1 1.858 0.02 . 2 . . . . 61 R HB3 . 17284 1 744 . 1 1 61 61 ARG HG2 H 1 1.704 0.02 . 2 . . . . 61 R HG2 . 17284 1 745 . 1 1 61 61 ARG HG3 H 1 1.779 0.02 . 2 . . . . 61 R HG3 . 17284 1 746 . 1 1 61 61 ARG HD2 H 1 3.235 0.02 . 2 . . . . 61 R HD# . 17284 1 747 . 1 1 61 61 ARG HD3 H 1 3.235 0.02 . 2 . . . . 61 R HD# . 17284 1 748 . 1 1 61 61 ARG C C 13 174.298 0.1 . 1 . . . . 61 R C . 17284 1 749 . 1 1 61 61 ARG CA C 13 54.722 0.1 . 1 . . . . 61 R CA . 17284 1 750 . 1 1 61 61 ARG CB C 13 33.114 0.1 . 1 . . . . 61 R CB . 17284 1 751 . 1 1 61 61 ARG CG C 13 27.486 0.1 . 1 . . . . 61 R CG . 17284 1 752 . 1 1 61 61 ARG CD C 13 43.469 0.1 . 1 . . . . 61 R CD . 17284 1 753 . 1 1 61 61 ARG N N 15 121.063 0.2 . 1 . . . . 61 R N . 17284 1 754 . 1 1 62 62 GLU H H 1 9.338 0.02 . 1 . . . . 62 E H . 17284 1 755 . 1 1 62 62 GLU HA H 1 3.700 0.02 . 1 . . . . 62 E HA . 17284 1 756 . 1 1 62 62 GLU HB2 H 1 1.940 0.02 . 2 . . . . 62 E HB2 . 17284 1 757 . 1 1 62 62 GLU HB3 H 1 2.082 0.02 . 2 . . . . 62 E HB3 . 17284 1 758 . 1 1 62 62 GLU HG2 H 1 2.445 0.02 . 2 . . . . 62 E HG2 . 17284 1 759 . 1 1 62 62 GLU HG3 H 1 2.445 0.02 . 2 . . . . 62 E HG3 . 17284 1 760 . 1 1 62 62 GLU C C 13 176.339 0.1 . 1 . . . . 62 E C . 17284 1 761 . 1 1 62 62 GLU CA C 13 59.346 0.1 . 1 . . . . 62 E CA . 17284 1 762 . 1 1 62 62 GLU CB C 13 29.222 0.1 . 1 . . . . 62 E CB . 17284 1 763 . 1 1 62 62 GLU CG C 13 38.074 0.1 . 1 . . . . 62 E CG . 17284 1 764 . 1 1 62 62 GLU N N 15 118.814 0.2 . 1 . . . . 62 E N . 17284 1 765 . 1 1 63 63 GLY H H 1 9.135 0.02 . 1 . . . . 63 G H . 17284 1 766 . 1 1 63 63 GLY HA2 H 1 4.357 0.02 . 2 . . . . 63 G HA2 . 17284 1 767 . 1 1 63 63 GLY HA3 H 1 3.869 0.02 . 2 . . . . 63 G HA3 . 17284 1 768 . 1 1 63 63 GLY C C 13 173.413 0.1 . 1 . . . . 63 G C . 17284 1 769 . 1 1 63 63 GLY CA C 13 45.160 0.1 . 1 . . . . 63 G CA . 17284 1 770 . 1 1 63 63 GLY N N 15 112.374 0.2 . 1 . . . . 63 G N . 17284 1 771 . 1 1 64 64 GLN H H 1 7.836 0.02 . 1 . . . . 64 Q H . 17284 1 772 . 1 1 64 64 GLN HA H 1 4.500 0.02 . 1 . . . . 64 Q HA . 17284 1 773 . 1 1 64 64 GLN HB2 H 1 2.473 0.02 . 2 . . . . 64 Q HB2 . 17284 1 774 . 1 1 64 64 GLN HB3 H 1 2.135 0.02 . 2 . . . . 64 Q HB3 . 17284 1 775 . 1 1 64 64 GLN HG2 H 1 2.448 0.02 . 2 . . . . 64 Q HG2 . 17284 1 776 . 1 1 64 64 GLN HG3 H 1 2.448 0.02 . 2 . . . . 64 Q HG3 . 17284 1 777 . 1 1 64 64 GLN C C 13 173.544 0.1 . 1 . . . . 64 Q C . 17284 1 778 . 1 1 64 64 GLN CA C 13 56.877 0.1 . 1 . . . . 64 Q CA . 17284 1 779 . 1 1 64 64 GLN CB C 13 31.013 0.1 . 1 . . . . 64 Q CB . 17284 1 780 . 1 1 64 64 GLN CG C 13 36.759 0.1 . 1 . . . . 64 Q CG . 17284 1 781 . 1 1 64 64 GLN N N 15 118.260 0.2 . 1 . . . . 64 Q N . 17284 1 782 . 1 1 65 65 VAL H H 1 8.261 0.02 . 1 . . . . 65 V H . 17284 1 783 . 1 1 65 65 VAL HA H 1 4.394 0.02 . 1 . . . . 65 V HA . 17284 1 784 . 1 1 65 65 VAL HB H 1 1.828 0.02 . 1 . . . . 65 V HB . 17284 1 785 . 1 1 65 65 VAL HG11 H 1 0.866 0.02 . 2 . . . . 65 V HG1# . 17284 1 786 . 1 1 65 65 VAL HG12 H 1 0.866 0.02 . 2 . . . . 65 V HG1# . 17284 1 787 . 1 1 65 65 VAL HG13 H 1 0.866 0.02 . 2 . . . . 65 V HG1# . 17284 1 788 . 1 1 65 65 VAL HG21 H 1 0.636 0.02 . 2 . . . . 65 V HG2# . 17284 1 789 . 1 1 65 65 VAL HG22 H 1 0.636 0.02 . 2 . . . . 65 V HG2# . 17284 1 790 . 1 1 65 65 VAL HG23 H 1 0.636 0.02 . 2 . . . . 65 V HG2# . 17284 1 791 . 1 1 65 65 VAL C C 13 174.623 0.1 . 1 . . . . 65 V C . 17284 1 792 . 1 1 65 65 VAL CA C 13 62.381 0.1 . 1 . . . . 65 V CA . 17284 1 793 . 1 1 65 65 VAL CB C 13 32.283 0.1 . 1 . . . . 65 V CB . 17284 1 794 . 1 1 65 65 VAL CG1 C 13 21.668 0.1 . 2 . . . . 65 V CG1 . 17284 1 795 . 1 1 65 65 VAL CG2 C 13 21.702 0.1 . 2 . . . . 65 V CG2 . 17284 1 796 . 1 1 65 65 VAL N N 15 123.233 0.2 . 1 . . . . 65 V N . 17284 1 797 . 1 1 66 66 VAL H H 1 8.867 0.02 . 1 . . . . 66 V H . 17284 1 798 . 1 1 66 66 VAL HA H 1 4.381 0.02 . 1 . . . . 66 V HA . 17284 1 799 . 1 1 66 66 VAL HB H 1 1.541 0.02 . 1 . . . . 66 V HB . 17284 1 800 . 1 1 66 66 VAL HG11 H 1 0.303 0.02 . 2 . . . . 66 V HG1# . 17284 1 801 . 1 1 66 66 VAL HG12 H 1 0.303 0.02 . 2 . . . . 66 V HG1# . 17284 1 802 . 1 1 66 66 VAL HG13 H 1 0.303 0.02 . 2 . . . . 66 V HG1# . 17284 1 803 . 1 1 66 66 VAL HG21 H 1 0.296 0.02 . 2 . . . . 66 V HG2# . 17284 1 804 . 1 1 66 66 VAL HG22 H 1 0.296 0.02 . 2 . . . . 66 V HG2# . 17284 1 805 . 1 1 66 66 VAL HG23 H 1 0.296 0.02 . 2 . . . . 66 V HG2# . 17284 1 806 . 1 1 66 66 VAL C C 13 172.366 0.1 . 1 . . . . 66 V C . 17284 1 807 . 1 1 66 66 VAL CA C 13 57.865 0.1 . 1 . . . . 66 V CA . 17284 1 808 . 1 1 66 66 VAL CB C 13 34.715 0.1 . 1 . . . . 66 V CB . 17284 1 809 . 1 1 66 66 VAL CG1 C 13 20.979 0.1 . 2 . . . . 66 V CG1 . 17284 1 810 . 1 1 66 66 VAL CG2 C 13 20.119 0.1 . 2 . . . . 66 V CG2 . 17284 1 811 . 1 1 66 66 VAL N N 15 126.659 0.2 . 1 . . . . 66 V N . 17284 1 812 . 1 1 67 67 PRO HA H 1 4.840 0.02 . 1 . . . . 67 P HA . 17284 1 813 . 1 1 67 67 PRO HB2 H 1 2.449 0.02 . 2 . . . . 67 P HB2 . 17284 1 814 . 1 1 67 67 PRO HB3 H 1 1.791 0.02 . 2 . . . . 67 P HB3 . 17284 1 815 . 1 1 67 67 PRO HG2 H 1 2.024 0.02 . 2 . . . . 67 P HG2 . 17284 1 816 . 1 1 67 67 PRO HG3 H 1 2.018 0.02 . 2 . . . . 67 P HG3 . 17284 1 817 . 1 1 67 67 PRO HD2 H 1 3.555 0.02 . 2 . . . . 67 P HD2 . 17284 1 818 . 1 1 67 67 PRO HD3 H 1 3.856 0.02 . 2 . . . . 67 P HD3 . 17284 1 819 . 1 1 67 67 PRO C C 13 177.603 0.1 . 1 . . . . 67 P C . 17284 1 820 . 1 1 67 67 PRO CA C 13 62.045 0.1 . 1 . . . . 67 P CA . 17284 1 821 . 1 1 67 67 PRO CB C 13 32.470 0.1 . 1 . . . . 67 P CB . 17284 1 822 . 1 1 67 67 PRO CG C 13 27.849 0.1 . 1 . . . . 67 P CG . 17284 1 823 . 1 1 67 67 PRO CD C 13 51.746 0.1 . 1 . . . . 67 P CD . 17284 1 824 . 1 1 68 68 VAL H H 1 8.053 0.02 . 1 . . . . 68 V H . 17284 1 825 . 1 1 68 68 VAL HA H 1 3.289 0.02 . 1 . . . . 68 V HA . 17284 1 826 . 1 1 68 68 VAL HB H 1 1.736 0.02 . 1 . . . . 68 V HB . 17284 1 827 . 1 1 68 68 VAL HG11 H 1 0.820 0.02 . 2 . . . . 68 V HG1# . 17284 1 828 . 1 1 68 68 VAL HG12 H 1 0.820 0.02 . 2 . . . . 68 V HG1# . 17284 1 829 . 1 1 68 68 VAL HG13 H 1 0.820 0.02 . 2 . . . . 68 V HG1# . 17284 1 830 . 1 1 68 68 VAL HG21 H 1 0.815 0.02 . 2 . . . . 68 V HG2# . 17284 1 831 . 1 1 68 68 VAL HG22 H 1 0.815 0.02 . 2 . . . . 68 V HG2# . 17284 1 832 . 1 1 68 68 VAL HG23 H 1 0.815 0.02 . 2 . . . . 68 V HG2# . 17284 1 833 . 1 1 68 68 VAL C C 13 176.080 0.1 . 1 . . . . 68 V C . 17284 1 834 . 1 1 68 68 VAL CA C 13 66.041 0.1 . 1 . . . . 68 V CA . 17284 1 835 . 1 1 68 68 VAL CB C 13 32.516 0.1 . 1 . . . . 68 V CB . 17284 1 836 . 1 1 68 68 VAL CG1 C 13 21.880 0.1 . 2 . . . . 68 V CG1 . 17284 1 837 . 1 1 68 68 VAL CG2 C 13 20.862 0.1 . 2 . . . . 68 V CG2 . 17284 1 838 . 1 1 68 68 VAL N N 15 125.622 0.2 . 1 . . . . 68 V N . 17284 1 839 . 1 1 69 69 GLY H H 1 8.874 0.02 . 1 . . . . 69 G H . 17284 1 840 . 1 1 69 69 GLY HA2 H 1 4.366 0.02 . 2 . . . . 69 G HA2 . 17284 1 841 . 1 1 69 69 GLY HA3 H 1 3.545 0.02 . 2 . . . . 69 G HA3 . 17284 1 842 . 1 1 69 69 GLY C C 13 173.129 0.1 . 1 . . . . 69 G C . 17284 1 843 . 1 1 69 69 GLY CA C 13 45.148 0.1 . 1 . . . . 69 G CA . 17284 1 844 . 1 1 69 69 GLY N N 15 115.848 0.2 . 1 . . . . 69 G N . 17284 1 845 . 1 1 70 70 SER H H 1 7.706 0.02 . 1 . . . . 70 S H . 17284 1 846 . 1 1 70 70 SER HA H 1 4.505 0.02 . 1 . . . . 70 S HA . 17284 1 847 . 1 1 70 70 SER HB2 H 1 3.660 0.02 . 2 . . . . 70 S HB2 . 17284 1 848 . 1 1 70 70 SER HB3 H 1 3.866 0.02 . 2 . . . . 70 S HB3 . 17284 1 849 . 1 1 70 70 SER C C 13 173.153 0.1 . 1 . . . . 70 S C . 17284 1 850 . 1 1 70 70 SER CA C 13 59.424 0.1 . 1 . . . . 70 S CA . 17284 1 851 . 1 1 70 70 SER CB C 13 64.394 0.1 . 1 . . . . 70 S CB . 17284 1 852 . 1 1 70 70 SER N N 15 116.342 0.2 . 1 . . . . 70 S N . 17284 1 853 . 1 1 71 71 THR H H 1 8.866 0.02 . 1 . . . . 71 T H . 17284 1 854 . 1 1 71 71 THR HA H 1 3.980 0.02 . 1 . . . . 71 T HA . 17284 1 855 . 1 1 71 71 THR HB H 1 4.052 0.02 . 1 . . . . 71 T HB . 17284 1 856 . 1 1 71 71 THR HG21 H 1 1.074 0.02 . 1 . . . . 71 T HG2# . 17284 1 857 . 1 1 71 71 THR HG22 H 1 1.074 0.02 . 1 . . . . 71 T HG2# . 17284 1 858 . 1 1 71 71 THR HG23 H 1 1.074 0.02 . 1 . . . . 71 T HG2# . 17284 1 859 . 1 1 71 71 THR C C 13 172.338 0.1 . 1 . . . . 71 T C . 17284 1 860 . 1 1 71 71 THR CA C 13 65.143 0.1 . 1 . . . . 71 T CA . 17284 1 861 . 1 1 71 71 THR CB C 13 68.896 0.1 . 1 . . . . 71 T CB . 17284 1 862 . 1 1 71 71 THR CG2 C 13 23.389 0.1 . 1 . . . . 71 T CG2 . 17284 1 863 . 1 1 71 71 THR N N 15 121.832 0.2 . 1 . . . . 71 T N . 17284 1 864 . 1 1 72 72 LEU H H 1 9.450 0.02 . 1 . . . . 72 L H . 17284 1 865 . 1 1 72 72 LEU HA H 1 4.771 0.02 . 1 . . . . 72 L HA . 17284 1 866 . 1 1 72 72 LEU HB2 H 1 2.088 0.02 . 2 . . . . 72 L HB2 . 17284 1 867 . 1 1 72 72 LEU HB3 H 1 2.088 0.02 . 2 . . . . 72 L HB3 . 17284 1 868 . 1 1 72 72 LEU HG H 1 1.922 0.02 . 1 . . . . 72 L HG . 17284 1 869 . 1 1 72 72 LEU HD21 H 1 0.931 0.02 . 2 . . . . 72 L HD2# . 17284 1 870 . 1 1 72 72 LEU HD22 H 1 0.931 0.02 . 2 . . . . 72 L HD2# . 17284 1 871 . 1 1 72 72 LEU HD23 H 1 0.931 0.02 . 2 . . . . 72 L HD2# . 17284 1 872 . 1 1 72 72 LEU C C 13 175.241 0.1 . 1 . . . . 72 L C . 17284 1 873 . 1 1 72 72 LEU CA C 13 56.935 0.1 . 1 . . . . 72 L CA . 17284 1 874 . 1 1 72 72 LEU CB C 13 46.257 0.1 . 1 . . . . 72 L CB . 17284 1 875 . 1 1 72 72 LEU CG C 13 26.939 0.1 . 1 . . . . 72 L CG . 17284 1 876 . 1 1 72 72 LEU CD1 C 13 26.039 0.1 . 2 . . . . 72 L CD1 . 17284 1 877 . 1 1 72 72 LEU CD2 C 13 25.151 0.1 . 2 . . . . 72 L CD2 . 17284 1 878 . 1 1 72 72 LEU N N 15 126.821 0.2 . 1 . . . . 72 L N . 17284 1 879 . 1 1 73 73 LEU H H 1 7.724 0.02 . 1 . . . . 73 L H . 17284 1 880 . 1 1 73 73 LEU HA H 1 5.182 0.02 . 1 . . . . 73 L HA . 17284 1 881 . 1 1 73 73 LEU HB2 H 1 1.891 0.02 . 2 . . . . 73 L HB# . 17284 1 882 . 1 1 73 73 LEU HB3 H 1 1.891 0.02 . 2 . . . . 73 L HB# . 17284 1 883 . 1 1 73 73 LEU HG H 1 1.875 0.02 . 1 . . . . 73 L HG . 17284 1 884 . 1 1 73 73 LEU HD11 H 1 0.926 0.02 . 2 . . . . 73 L HD1# . 17284 1 885 . 1 1 73 73 LEU HD12 H 1 0.926 0.02 . 2 . . . . 73 L HD1# . 17284 1 886 . 1 1 73 73 LEU HD13 H 1 0.926 0.02 . 2 . . . . 73 L HD1# . 17284 1 887 . 1 1 73 73 LEU HD21 H 1 0.927 0.02 . 2 . . . . 73 L HD2# . 17284 1 888 . 1 1 73 73 LEU HD22 H 1 0.927 0.02 . 2 . . . . 73 L HD2# . 17284 1 889 . 1 1 73 73 LEU HD23 H 1 0.927 0.02 . 2 . . . . 73 L HD2# . 17284 1 890 . 1 1 73 73 LEU C C 13 173.769 0.1 . 1 . . . . 73 L C . 17284 1 891 . 1 1 73 73 LEU CA C 13 54.290 0.1 . 1 . . . . 73 L CA . 17284 1 892 . 1 1 73 73 LEU CB C 13 46.830 0.1 . 1 . . . . 73 L CB . 17284 1 893 . 1 1 73 73 LEU CG C 13 26.984 0.1 . 1 . . . . 73 L CG . 17284 1 894 . 1 1 73 73 LEU CD1 C 13 28.639 0.1 . 2 . . . . 73 L CD1 . 17284 1 895 . 1 1 73 73 LEU CD2 C 13 27.992 0.1 . 2 . . . . 73 L CD2 . 17284 1 896 . 1 1 73 73 LEU N N 15 113.608 0.2 . 1 . . . . 73 L N . 17284 1 897 . 1 1 74 74 GLN H H 1 8.474 0.02 . 1 . . . . 74 Q H . 17284 1 898 . 1 1 74 74 GLN HA H 1 5.200 0.02 . 1 . . . . 74 Q HA . 17284 1 899 . 1 1 74 74 GLN HB2 H 1 1.903 0.02 . 2 . . . . 74 Q HB2 . 17284 1 900 . 1 1 74 74 GLN HB3 H 1 1.903 0.02 . 2 . . . . 74 Q HB3 . 17284 1 901 . 1 1 74 74 GLN HG2 H 1 2.166 0.02 . 2 . . . . 74 Q HG2 . 17284 1 902 . 1 1 74 74 GLN HG3 H 1 2.098 0.02 . 2 . . . . 74 Q HG3 . 17284 1 903 . 1 1 74 74 GLN C C 13 174.275 0.1 . 1 . . . . 74 Q C . 17284 1 904 . 1 1 74 74 GLN CA C 13 54.881 0.1 . 1 . . . . 74 Q CA . 17284 1 905 . 1 1 74 74 GLN CB C 13 32.036 0.1 . 1 . . . . 74 Q CB . 17284 1 906 . 1 1 74 74 GLN CG C 13 34.199 0.1 . 1 . . . . 74 Q CG . 17284 1 907 . 1 1 74 74 GLN N N 15 119.726 0.2 . 1 . . . . 74 Q N . 17284 1 908 . 1 1 75 75 ILE H H 1 9.372 0.02 . 1 . . . . 75 I H . 17284 1 909 . 1 1 75 75 ILE HA H 1 4.800 0.02 . 1 . . . . 75 I HA . 17284 1 910 . 1 1 75 75 ILE HB H 1 1.697 0.02 . 1 . . . . 75 I HB . 17284 1 911 . 1 1 75 75 ILE HG12 H 1 1.569 0.02 . 2 . . . . 75 I HG12 . 17284 1 912 . 1 1 75 75 ILE HG13 H 1 0.692 0.02 . 2 . . . . 75 I HG13 . 17284 1 913 . 1 1 75 75 ILE HG21 H 1 0.460 0.02 . 1 . . . . 75 I HG2# . 17284 1 914 . 1 1 75 75 ILE HG22 H 1 0.460 0.02 . 1 . . . . 75 I HG2# . 17284 1 915 . 1 1 75 75 ILE HG23 H 1 0.460 0.02 . 1 . . . . 75 I HG2# . 17284 1 916 . 1 1 75 75 ILE HD11 H 1 0.553 0.02 . 1 . . . . 75 I HD1# . 17284 1 917 . 1 1 75 75 ILE HD12 H 1 0.553 0.02 . 1 . . . . 75 I HD1# . 17284 1 918 . 1 1 75 75 ILE HD13 H 1 0.553 0.02 . 1 . . . . 75 I HD1# . 17284 1 919 . 1 1 75 75 ILE C C 13 172.508 0.1 . 1 . . . . 75 I C . 17284 1 920 . 1 1 75 75 ILE CA C 13 60.538 0.1 . 1 . . . . 75 I CA . 17284 1 921 . 1 1 75 75 ILE CB C 13 42.383 0.1 . 1 . . . . 75 I CB . 17284 1 922 . 1 1 75 75 ILE CG1 C 13 28.643 0.1 . 1 . . . . 75 I CG1 . 17284 1 923 . 1 1 75 75 ILE CG2 C 13 17.136 0.1 . 1 . . . . 75 I CG2 . 17284 1 924 . 1 1 75 75 ILE CD1 C 13 13.399 0.1 . 1 . . . . 75 I CD1 . 17284 1 925 . 1 1 75 75 ILE N N 15 125.327 0.2 . 1 . . . . 75 I N . 17284 1 926 . 1 1 76 76 ASP H H 1 9.383 0.02 . 1 . . . . 76 D H . 17284 1 927 . 1 1 76 76 ASP HA H 1 5.182 0.02 . 1 . . . . 76 D HA . 17284 1 928 . 1 1 76 76 ASP HB2 H 1 2.783 0.02 . 2 . . . . 76 D HB2 . 17284 1 929 . 1 1 76 76 ASP HB3 H 1 2.491 0.02 . 2 . . . . 76 D HB3 . 17284 1 930 . 1 1 76 76 ASP C C 13 175.284 0.1 . 1 . . . . 76 D C . 17284 1 931 . 1 1 76 76 ASP CA C 13 54.084 0.1 . 1 . . . . 76 D CA . 17284 1 932 . 1 1 76 76 ASP CB C 13 42.315 0.1 . 1 . . . . 76 D CB . 17284 1 933 . 1 1 76 76 ASP N N 15 129.475 0.2 . 1 . . . . 76 D N . 17284 1 934 . 1 1 77 77 THR H H 1 8.197 0.02 . 1 . . . . 77 T H . 17284 1 935 . 1 1 77 77 THR HA H 1 4.481 0.02 . 1 . . . . 77 T HA . 17284 1 936 . 1 1 77 77 THR C C 13 177.943 0.1 . 1 . . . . 77 T C . 17284 1 937 . 1 1 77 77 THR CA C 13 62.933 0.1 . 1 . . . . 77 T CA . 17284 1 938 . 1 1 77 77 THR CB C 13 71.084 0.1 . 1 . . . . 77 T CB . 17284 1 939 . 1 1 77 77 THR N N 15 124.845 0.2 . 1 . . . . 77 T N . 17284 1 stop_ save_