data_51902 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51902 _Entry.Title ; Backbone and side chain chemical shift assignments of purS subunit of phosphoribosylformylglycinamidine synthase enzyme from S. aureus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-04-11 _Entry.Accession_date 2023-04-11 _Entry.Last_release_date 2023-04-11 _Entry.Original_release_date 2023-04-11 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; PurS subunit, also known as YexA, is one of the subunits of multi-subunit FGAM synthetase complex. Genetic analysis revealed that PurS gene disruption produces a purine auxotroph phenotype. This indicates that the gene disruption result in overall defect in enzyme activity. Thus, PurS is apparently essential for the activity of PurL and PurQ subunits. ; _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.ORCID _Entry_author.Entry_ID 1 Atia-tul- Wahab . . . 0000-0002-2730-5547 51902 2 Faryal Ashraf . . . 0009-0005-2355-8351 51902 3 'M. Iqbal' Choudhary . . . 0000-0001-5356-3585 51902 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51902 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 393 51902 '15N chemical shifts' 88 51902 '1H chemical shifts' 643 51902 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 . . 2023-04-13 . original BMRB . 51902 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID NCBI WP_000848350.1 'Part of the phosphoribosylformylglycinamidine synthase complex involved in the purines biosynthetic pathway.' 51902 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51902 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Solution NMR structure and functional annotation of purS subunit of phosphoribosylformylglycinamidine synthase enzyme from S.aureus ; _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Atia-tul- Wahab . . . . 51902 1 2 Faryal Ashraf . . . . 51902 1 3 'M. Iqbal' Choudhary . . . . 51902 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'S. aureus' 51902 1 'Solution NMR' 51902 1 'phosphoribosylformylglycinamidine synthase' 51902 1 'purS subunit' 51902 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51902 _Assembly.ID 1 _Assembly.Name 'Phosphoribosylformylglycinamidine synthase subunit PurS' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'subunit PurS' 1 $entity_1 . . yes native no no . . . 51902 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Part of the phosphoribosylformylglycinamidine synthase complex involved in the purines biosynthetic pathway.' 51902 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51902 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AGMKTIELHITLQPQVLDTQ GQTLTRAVHDLGYAQVNDIR VGKVLYMTVDEVSDEKVHNI ITTLSEKLFANTVIEEYSYK VLDDEKENA ; _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 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes NCBI WP_000848350.1 . 'Phosphoribosylformylglycinamidine synthase subunit PurS' . . . . . . . . . . . . . . 51902 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Part of the phosphoribosylformylglycinamidine synthase complex involved in the purines biosynthetic pathway.' 51902 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 . ALA . 51902 1 2 . GLY . 51902 1 3 . MET . 51902 1 4 . LYS . 51902 1 5 . THR . 51902 1 6 . ILE . 51902 1 7 . GLU . 51902 1 8 . LEU . 51902 1 9 . HIS . 51902 1 10 . ILE . 51902 1 11 . THR . 51902 1 12 . LEU . 51902 1 13 . GLN . 51902 1 14 . PRO . 51902 1 15 . GLN . 51902 1 16 . VAL . 51902 1 17 . LEU . 51902 1 18 . ASP . 51902 1 19 . THR . 51902 1 20 . GLN . 51902 1 21 . GLY . 51902 1 22 . GLN . 51902 1 23 . THR . 51902 1 24 . LEU . 51902 1 25 . THR . 51902 1 26 . ARG . 51902 1 27 . ALA . 51902 1 28 . VAL . 51902 1 29 . HIS . 51902 1 30 . ASP . 51902 1 31 . LEU . 51902 1 32 . GLY . 51902 1 33 . TYR . 51902 1 34 . ALA . 51902 1 35 . GLN . 51902 1 36 . VAL . 51902 1 37 . ASN . 51902 1 38 . ASP . 51902 1 39 . ILE . 51902 1 40 . ARG . 51902 1 41 . VAL . 51902 1 42 . GLY . 51902 1 43 . LYS . 51902 1 44 . VAL . 51902 1 45 . LEU . 51902 1 46 . TYR . 51902 1 47 . MET . 51902 1 48 . THR . 51902 1 49 . VAL . 51902 1 50 . ASP . 51902 1 51 . GLU . 51902 1 52 . VAL . 51902 1 53 . SER . 51902 1 54 . ASP . 51902 1 55 . GLU . 51902 1 56 . LYS . 51902 1 57 . VAL . 51902 1 58 . HIS . 51902 1 59 . ASN . 51902 1 60 . ILE . 51902 1 61 . ILE . 51902 1 62 . THR . 51902 1 63 . THR . 51902 1 64 . LEU . 51902 1 65 . SER . 51902 1 66 . GLU . 51902 1 67 . LYS . 51902 1 68 . LEU . 51902 1 69 . PHE . 51902 1 70 . ALA . 51902 1 71 . ASN . 51902 1 72 . THR . 51902 1 73 . VAL . 51902 1 74 . ILE . 51902 1 75 . GLU . 51902 1 76 . GLU . 51902 1 77 . TYR . 51902 1 78 . SER . 51902 1 79 . TYR . 51902 1 80 . LYS . 51902 1 81 . VAL . 51902 1 82 . LEU . 51902 1 83 . ASP . 51902 1 84 . ASP . 51902 1 85 . GLU . 51902 1 86 . LYS . 51902 1 87 . GLU . 51902 1 88 . ASN . 51902 1 89 . ALA . 51902 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 . ALA 1 1 51902 1 . GLY 2 2 51902 1 . MET 3 3 51902 1 . LYS 4 4 51902 1 . THR 5 5 51902 1 . ILE 6 6 51902 1 . GLU 7 7 51902 1 . LEU 8 8 51902 1 . HIS 9 9 51902 1 . ILE 10 10 51902 1 . THR 11 11 51902 1 . LEU 12 12 51902 1 . GLN 13 13 51902 1 . PRO 14 14 51902 1 . GLN 15 15 51902 1 . VAL 16 16 51902 1 . LEU 17 17 51902 1 . ASP 18 18 51902 1 . THR 19 19 51902 1 . GLN 20 20 51902 1 . GLY 21 21 51902 1 . GLN 22 22 51902 1 . THR 23 23 51902 1 . LEU 24 24 51902 1 . THR 25 25 51902 1 . ARG 26 26 51902 1 . ALA 27 27 51902 1 . VAL 28 28 51902 1 . HIS 29 29 51902 1 . ASP 30 30 51902 1 . LEU 31 31 51902 1 . GLY 32 32 51902 1 . TYR 33 33 51902 1 . ALA 34 34 51902 1 . GLN 35 35 51902 1 . VAL 36 36 51902 1 . ASN 37 37 51902 1 . ASP 38 38 51902 1 . ILE 39 39 51902 1 . ARG 40 40 51902 1 . VAL 41 41 51902 1 . GLY 42 42 51902 1 . LYS 43 43 51902 1 . VAL 44 44 51902 1 . LEU 45 45 51902 1 . TYR 46 46 51902 1 . MET 47 47 51902 1 . THR 48 48 51902 1 . VAL 49 49 51902 1 . ASP 50 50 51902 1 . GLU 51 51 51902 1 . VAL 52 52 51902 1 . SER 53 53 51902 1 . ASP 54 54 51902 1 . GLU 55 55 51902 1 . LYS 56 56 51902 1 . VAL 57 57 51902 1 . HIS 58 58 51902 1 . ASN 59 59 51902 1 . ILE 60 60 51902 1 . ILE 61 61 51902 1 . THR 62 62 51902 1 . THR 63 63 51902 1 . LEU 64 64 51902 1 . SER 65 65 51902 1 . GLU 66 66 51902 1 . LYS 67 67 51902 1 . LEU 68 68 51902 1 . PHE 69 69 51902 1 . ALA 70 70 51902 1 . ASN 71 71 51902 1 . THR 72 72 51902 1 . VAL 73 73 51902 1 . ILE 74 74 51902 1 . GLU 75 75 51902 1 . GLU 76 76 51902 1 . TYR 77 77 51902 1 . SER 78 78 51902 1 . TYR 79 79 51902 1 . LYS 80 80 51902 1 . VAL 81 81 51902 1 . LEU 82 82 51902 1 . ASP 83 83 51902 1 . ASP 84 84 51902 1 . GLU 85 85 51902 1 . LYS 86 86 51902 1 . GLU 87 87 51902 1 . ASN 88 88 51902 1 . ALA 89 89 51902 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51902 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 1280 organism . 'Staphylococcus aureus' 'Staphylococcus aureus' . . Bacteria . Staphylococcus aureus Mu50 . . . . . . . . . . purS . 51902 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51902 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . plasmid . . pSpeedET . . . 51902 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51902 _Sample.ID 1 _Sample.Name PurS-PRFGS _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PurS-PRFGS '[U-13C; U-15N]' . . 1 $entity_1 . . 1.2 . . mM . . . . 51902 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51902 1 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 51902 1 4 DSS 'natural abundance' . . . . . . 0.15 . . mM . . . . 51902 1 5 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 51902 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 51902 _Sample_condition_list.ID 1 _Sample_condition_list.Name RT _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6 . pH 51902 1 pressure 1 . atm 51902 1 temperature 298 . K 51902 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51902 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.6 _Software.DOI . _Software.Details pl7 loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51902 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51902 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 3.92.15 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure solution' . 51902 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51902 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51902 3 'data analysis' . 51902 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51902 _Software.ID 4 _Software.Type . _Software.Name TALOS+ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 51902 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 51902 _Software.ID 5 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51902 5 'data analysis' . 51902 5 'peak picking' . 51902 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51902 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III 800 MHz' _NMR_spectrometer.Details 'Equipped with cryogenically cooled TCI probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '800 MHz' save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51902 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51902 1 2 '3D HNCO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51902 1 3 '3D C(CO)NH' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51902 1 4 '3D HNCA' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51902 1 5 '3D HNCACB' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51902 1 6 '3D H(CCO)NH' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51902 1 7 '3D 1H-13C NOESY aliphatic' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51902 1 8 '3D 1H-15N NOESY' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51902 1 9 '3D 1H-13C NOESY aromatic' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51902 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51902 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbon' . . . . ppm -544.92 internal direct 1 . . . . . 51902 1 H 1 DSS 'methyl protons' . . . . ppm -34.88 internal direct 1 . . . . . 51902 1 N 15 DSS nitrogen . . . . ppm -5.14 internal direct 1 . . . . . 51902 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51902 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name chemicalshift _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 $chem_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 6 '3D H(CCO)NH' . . . 51902 1 7 '3D 1H-13C NOESY aliphatic' . . . 51902 1 8 '3D 1H-15N NOESY' . . . 51902 1 9 '3D 1H-13C NOESY aromatic' . . . 51902 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 51902 1 5 $software_5 . . 51902 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 ALA HA H 1 4.303 0.02 . . . . . . . 1 ALA HA . 51902 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.365 0.02 . . . . . . . 1 ALA QB . 51902 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.365 0.02 . . . . . . . 1 ALA QB . 51902 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.365 0.02 . . . . . . . 1 ALA QB . 51902 1 5 . 1 . 1 1 1 ALA C C 13 177.951 0.05 . . . . . . . 1 ALA C . 51902 1 6 . 1 . 1 1 1 ALA CA C 13 52.896 0.05 . . . . . . . 1 ALA CA . 51902 1 7 . 1 . 1 1 1 ALA CB C 13 19.165 0.05 . . . . . . . 1 ALA CB . 51902 1 8 . 1 . 1 2 2 GLY H H 1 8.563 0.02 . . . . . . . 2 GLY H . 51902 1 9 . 1 . 1 2 2 GLY HA2 H 1 3.867 0.02 . . . . . . . 2 GLY QA . 51902 1 10 . 1 . 1 2 2 GLY HA3 H 1 3.867 0.02 . . . . . . . 2 GLY QA . 51902 1 11 . 1 . 1 2 2 GLY C C 13 173.318 0.05 . . . . . . . 2 GLY C . 51902 1 12 . 1 . 1 2 2 GLY CA C 13 45.401 0.05 . . . . . . . 2 GLY CA . 51902 1 13 . 1 . 1 2 2 GLY N N 15 108.754 0.05 . . . . . . . 2 GLY N . 51902 1 14 . 1 . 1 3 3 MET H H 1 7.858 0.02 . . . . . . . 3 MET H . 51902 1 15 . 1 . 1 3 3 MET HA H 1 4.601 0.02 . . . . . . . 3 MET HA . 51902 1 16 . 1 . 1 3 3 MET HB2 H 1 1.951 0.02 . . . . . . . 3 MET QB . 51902 1 17 . 1 . 1 3 3 MET HB3 H 1 1.951 0.02 . . . . . . . 3 MET QB . 51902 1 18 . 1 . 1 3 3 MET HG2 H 1 1.632 0.02 . . . . . . . 3 MET QG . 51902 1 19 . 1 . 1 3 3 MET HG3 H 1 1.632 0.02 . . . . . . . 3 MET QG . 51902 1 20 . 1 . 1 3 3 MET HE1 H 1 0.857 0.02 . . . . . . . 3 MET QE . 51902 1 21 . 1 . 1 3 3 MET HE2 H 1 0.857 0.02 . . . . . . . 3 MET QE . 51902 1 22 . 1 . 1 3 3 MET HE3 H 1 0.857 0.02 . . . . . . . 3 MET QE . 51902 1 23 . 1 . 1 3 3 MET C C 13 175.796 0.05 . . . . . . . 3 MET C . 51902 1 24 . 1 . 1 3 3 MET CA C 13 55.921 0.05 . . . . . . . 3 MET CA . 51902 1 25 . 1 . 1 3 3 MET CB C 13 32.772 0.05 . . . . . . . 3 MET CB . 51902 1 26 . 1 . 1 3 3 MET CG C 13 33.669 0.05 . . . . . . . 3 MET CG . 51902 1 27 . 1 . 1 3 3 MET CE C 13 17.299 0.05 . . . . . . . 3 MET CE . 51902 1 28 . 1 . 1 3 3 MET N N 15 118.88 0.05 . . . . . . . 3 MET N . 51902 1 29 . 1 . 1 4 4 LYS H H 1 8.479 0.02 . . . . . . . 4 LYS H . 51902 1 30 . 1 . 1 4 4 LYS HA H 1 4.749 0.02 . . . . . . . 4 LYS HA . 51902 1 31 . 1 . 1 4 4 LYS HB2 H 1 1.755 0.02 . . . . . . . 4 LYS HB2 . 51902 1 32 . 1 . 1 4 4 LYS HB3 H 1 1.837 0.02 . . . . . . . 4 LYS HB3 . 51902 1 33 . 1 . 1 4 4 LYS HG2 H 1 1.605 0.02 . . . . . . . 4 LYS HG2 . 51902 1 34 . 1 . 1 4 4 LYS HG3 H 1 1.583 0.02 . . . . . . . 4 LYS HG3 . 51902 1 35 . 1 . 1 4 4 LYS HD2 H 1 1.681 0.02 . . . . . . . 4 LYS HD2 . 51902 1 36 . 1 . 1 4 4 LYS HD3 H 1 1.741 0.02 . . . . . . . 4 LYS HD3 . 51902 1 37 . 1 . 1 4 4 LYS HE2 H 1 2.938 0.02 . . . . . . . 4 LYS QE . 51902 1 38 . 1 . 1 4 4 LYS HE3 H 1 2.938 0.02 . . . . . . . 4 LYS QE . 51902 1 39 . 1 . 1 4 4 LYS C C 13 175.878 0.05 . . . . . . . 4 LYS C . 51902 1 40 . 1 . 1 4 4 LYS CA C 13 55.077 0.05 . . . . . . . 4 LYS CA . 51902 1 41 . 1 . 1 4 4 LYS CB C 13 35.191 0.05 . . . . . . . 4 LYS CB . 51902 1 42 . 1 . 1 4 4 LYS CG C 13 25.217 0.05 . . . . . . . 4 LYS CG . 51902 1 43 . 1 . 1 4 4 LYS CD C 13 28.665 0.05 . . . . . . . 4 LYS CD . 51902 1 44 . 1 . 1 4 4 LYS CE C 13 41.707 0.05 . . . . . . . 4 LYS CE . 51902 1 45 . 1 . 1 4 4 LYS N N 15 123.69 0.05 . . . . . . . 4 LYS N . 51902 1 46 . 1 . 1 5 5 THR H H 1 9.126 0.02 . . . . . . . 5 THR H . 51902 1 47 . 1 . 1 5 5 THR HA H 1 4.879 0.02 . . . . . . . 5 THR HA . 51902 1 48 . 1 . 1 5 5 THR HB H 1 4.029 0.02 . . . . . . . 5 THR HB . 51902 1 49 . 1 . 1 5 5 THR HG21 H 1 1.183 0.02 . . . . . . . 5 THR QG2 . 51902 1 50 . 1 . 1 5 5 THR HG22 H 1 1.183 0.02 . . . . . . . 5 THR QG2 . 51902 1 51 . 1 . 1 5 5 THR HG23 H 1 1.183 0.02 . . . . . . . 5 THR QG2 . 51902 1 52 . 1 . 1 5 5 THR C C 13 172.741 0.05 . . . . . . . 5 THR C . 51902 1 53 . 1 . 1 5 5 THR CA C 13 62.758 0.05 . . . . . . . 5 THR CA . 51902 1 54 . 1 . 1 5 5 THR CB C 13 69.326 0.05 . . . . . . . 5 THR CB . 51902 1 55 . 1 . 1 5 5 THR CG2 C 13 21.526 0.05 . . . . . . . 5 THR CG2 . 51902 1 56 . 1 . 1 5 5 THR N N 15 119.8 0.05 . . . . . . . 5 THR N . 51902 1 57 . 1 . 1 6 6 ILE H H 1 9.117 0.02 . . . . . . . 6 ILE H . 51902 1 58 . 1 . 1 6 6 ILE HA H 1 4.89 0.02 . . . . . . . 6 ILE HA . 51902 1 59 . 1 . 1 6 6 ILE HB H 1 1.763 0.02 . . . . . . . 6 ILE HB . 51902 1 60 . 1 . 1 6 6 ILE HG12 H 1 1.203 0.02 . . . . . . . 6 ILE HG12 . 51902 1 61 . 1 . 1 6 6 ILE HG13 H 1 1.345 0.02 . . . . . . . 6 ILE HG13 . 51902 1 62 . 1 . 1 6 6 ILE HG21 H 1 0.738 0.02 . . . . . . . 6 ILE QG2 . 51902 1 63 . 1 . 1 6 6 ILE HG22 H 1 0.738 0.02 . . . . . . . 6 ILE QG2 . 51902 1 64 . 1 . 1 6 6 ILE HG23 H 1 0.738 0.02 . . . . . . . 6 ILE QG2 . 51902 1 65 . 1 . 1 6 6 ILE HD11 H 1 0.691 0.02 . . . . . . . 6 ILE QD1 . 51902 1 66 . 1 . 1 6 6 ILE HD12 H 1 0.691 0.02 . . . . . . . 6 ILE QD1 . 51902 1 67 . 1 . 1 6 6 ILE HD13 H 1 0.691 0.02 . . . . . . . 6 ILE QD1 . 51902 1 68 . 1 . 1 6 6 ILE C C 13 173.798 0.05 . . . . . . . 6 ILE C . 51902 1 69 . 1 . 1 6 6 ILE CA C 13 58.055 0.05 . . . . . . . 6 ILE CA . 51902 1 70 . 1 . 1 6 6 ILE CB C 13 40.006 0.05 . . . . . . . 6 ILE CB . 51902 1 71 . 1 . 1 6 6 ILE CG1 C 13 29.088 0.05 . . . . . . . 6 ILE CG1 . 51902 1 72 . 1 . 1 6 6 ILE CG2 C 13 18.66 0.05 . . . . . . . 6 ILE CG2 . 51902 1 73 . 1 . 1 6 6 ILE CD1 C 13 12.977 0.05 . . . . . . . 6 ILE CD1 . 51902 1 74 . 1 . 1 6 6 ILE N N 15 127.383 0.05 . . . . . . . 6 ILE N . 51902 1 75 . 1 . 1 7 7 GLU H H 1 8.449 0.02 . . . . . . . 7 GLU H . 51902 1 76 . 1 . 1 7 7 GLU HA H 1 4.866 0.02 . . . . . . . 7 GLU HA . 51902 1 77 . 1 . 1 7 7 GLU HB2 H 1 1.944 0.02 . . . . . . . 7 GLU HB2 . 51902 1 78 . 1 . 1 7 7 GLU HB3 H 1 2.078 0.02 . . . . . . . 7 GLU HB3 . 51902 1 79 . 1 . 1 7 7 GLU HG2 H 1 2.285 0.02 . . . . . . . 7 GLU HG2 . 51902 1 80 . 1 . 1 7 7 GLU HG3 H 1 2.418 0.02 . . . . . . . 7 GLU HG3 . 51902 1 81 . 1 . 1 7 7 GLU C C 13 174.229 0.05 . . . . . . . 7 GLU C . 51902 1 82 . 1 . 1 7 7 GLU CA C 13 54.63 0.05 . . . . . . . 7 GLU CA . 51902 1 83 . 1 . 1 7 7 GLU CB C 13 33.566 0.05 . . . . . . . 7 GLU CB . 51902 1 84 . 1 . 1 7 7 GLU CG C 13 36.249 0.05 . . . . . . . 7 GLU CG . 51902 1 85 . 1 . 1 7 7 GLU N N 15 125.361 0.05 . . . . . . . 7 GLU N . 51902 1 86 . 1 . 1 8 8 LEU H H 1 9.317 0.02 . . . . . . . 8 LEU H . 51902 1 87 . 1 . 1 8 8 LEU HA H 1 5.014 0.02 . . . . . . . 8 LEU HA . 51902 1 88 . 1 . 1 8 8 LEU HB2 H 1 1.747 0.02 . . . . . . . 8 LEU HB2 . 51902 1 89 . 1 . 1 8 8 LEU HB3 H 1 0.889 0.02 . . . . . . . 8 LEU HB3 . 51902 1 90 . 1 . 1 8 8 LEU HG H 1 1.31 0.02 . . . . . . . 8 LEU HG . 51902 1 91 . 1 . 1 8 8 LEU HD11 H 1 0.563 0.02 . . . . . . . 8 LEU QQD . 51902 1 92 . 1 . 1 8 8 LEU HD12 H 1 0.563 0.02 . . . . . . . 8 LEU QQD . 51902 1 93 . 1 . 1 8 8 LEU HD13 H 1 0.563 0.02 . . . . . . . 8 LEU QQD . 51902 1 94 . 1 . 1 8 8 LEU HD21 H 1 0.563 0.02 . . . . . . . 8 LEU QQD . 51902 1 95 . 1 . 1 8 8 LEU HD22 H 1 0.563 0.02 . . . . . . . 8 LEU QQD . 51902 1 96 . 1 . 1 8 8 LEU HD23 H 1 0.563 0.02 . . . . . . . 8 LEU QQD . 51902 1 97 . 1 . 1 8 8 LEU C C 13 174.383 0.05 . . . . . . . 8 LEU C . 51902 1 98 . 1 . 1 8 8 LEU CA C 13 53.763 0.05 . . . . . . . 8 LEU CA . 51902 1 99 . 1 . 1 8 8 LEU CB C 13 45.942 0.05 . . . . . . . 8 LEU CB . 51902 1 100 . 1 . 1 8 8 LEU CG C 13 27.913 0.05 . . . . . . . 8 LEU CG . 51902 1 101 . 1 . 1 8 8 LEU CD1 C 13 27.877 0.05 . . . . . . . 8 LEU CD1 . 51902 1 102 . 1 . 1 8 8 LEU CD2 C 13 27.877 0.05 . . . . . . . 8 LEU CD2 . 51902 1 103 . 1 . 1 8 8 LEU N N 15 133.111 0.05 . . . . . . . 8 LEU N . 51902 1 104 . 1 . 1 9 9 HIS H H 1 9.474 0.02 . . . . . . . 9 HIS H . 51902 1 105 . 1 . 1 9 9 HIS HA H 1 5.35 0.02 . . . . . . . 9 HIS HA . 51902 1 106 . 1 . 1 9 9 HIS HB2 H 1 2.949 0.02 . . . . . . . 9 HIS HB2 . 51902 1 107 . 1 . 1 9 9 HIS HB3 H 1 3.171 0.02 . . . . . . . 9 HIS HB3 . 51902 1 108 . 1 . 1 9 9 HIS HD2 H 1 6.741 0.02 . . . . . . . 9 HIS HD2 . 51902 1 109 . 1 . 1 9 9 HIS HE1 H 1 8.341 0.02 . . . . . . . 9 HIS HE1 . 51902 1 110 . 1 . 1 9 9 HIS C C 13 174.589 0.05 . . . . . . . 9 HIS C . 51902 1 111 . 1 . 1 9 9 HIS CA C 13 55.035 0.05 . . . . . . . 9 HIS CA . 51902 1 112 . 1 . 1 9 9 HIS CB C 13 31.459 0.05 . . . . . . . 9 HIS CB . 51902 1 113 . 1 . 1 9 9 HIS CD2 C 13 119.115 0.05 . . . . . . . 9 HIS CD2 . 51902 1 114 . 1 . 1 9 9 HIS CE1 C 13 136.367 0.05 . . . . . . . 9 HIS CE1 . 51902 1 115 . 1 . 1 9 9 HIS N N 15 124.739 0.05 . . . . . . . 9 HIS N . 51902 1 116 . 1 . 1 10 10 ILE H H 1 8.969 0.02 . . . . . . . 10 ILE H . 51902 1 117 . 1 . 1 10 10 ILE HA H 1 5.086 0.02 . . . . . . . 10 ILE HA . 51902 1 118 . 1 . 1 10 10 ILE HB H 1 1.696 0.02 . . . . . . . 10 ILE HB . 51902 1 119 . 1 . 1 10 10 ILE HG12 H 1 1.403 0.02 . . . . . . . 10 ILE HG12 . 51902 1 120 . 1 . 1 10 10 ILE HG13 H 1 0.923 0.02 . . . . . . . 10 ILE HG13 . 51902 1 121 . 1 . 1 10 10 ILE HG21 H 1 0.601 0.02 . . . . . . . 10 ILE QG2 . 51902 1 122 . 1 . 1 10 10 ILE HG22 H 1 0.601 0.02 . . . . . . . 10 ILE QG2 . 51902 1 123 . 1 . 1 10 10 ILE HG23 H 1 0.601 0.02 . . . . . . . 10 ILE QG2 . 51902 1 124 . 1 . 1 10 10 ILE HD11 H 1 0.436 0.02 . . . . . . . 10 ILE QD1 . 51902 1 125 . 1 . 1 10 10 ILE HD12 H 1 0.436 0.02 . . . . . . . 10 ILE QD1 . 51902 1 126 . 1 . 1 10 10 ILE HD13 H 1 0.436 0.02 . . . . . . . 10 ILE QD1 . 51902 1 127 . 1 . 1 10 10 ILE C C 13 176.197 0.05 . . . . . . . 10 ILE C . 51902 1 128 . 1 . 1 10 10 ILE CA C 13 60.494 0.05 . . . . . . . 10 ILE CA . 51902 1 129 . 1 . 1 10 10 ILE CB C 13 39.911 0.05 . . . . . . . 10 ILE CB . 51902 1 130 . 1 . 1 10 10 ILE CG1 C 13 27.289 0.05 . . . . . . . 10 ILE CG1 . 51902 1 131 . 1 . 1 10 10 ILE CG2 C 13 18.792 0.05 . . . . . . . 10 ILE CG2 . 51902 1 132 . 1 . 1 10 10 ILE CD1 C 13 10.127 0.05 . . . . . . . 10 ILE CD1 . 51902 1 133 . 1 . 1 10 10 ILE N N 15 123.05 0.05 . . . . . . . 10 ILE N . 51902 1 134 . 1 . 1 11 11 THR H H 1 8.928 0.02 . . . . . . . 11 THR H . 51902 1 135 . 1 . 1 11 11 THR HA H 1 4.86 0.02 . . . . . . . 11 THR HA . 51902 1 136 . 1 . 1 11 11 THR HB H 1 4.304 0.02 . . . . . . . 11 THR HB . 51902 1 137 . 1 . 1 11 11 THR HG21 H 1 1.082 0.02 . . . . . . . 11 THR QG2 . 51902 1 138 . 1 . 1 11 11 THR HG22 H 1 1.082 0.02 . . . . . . . 11 THR QG2 . 51902 1 139 . 1 . 1 11 11 THR HG23 H 1 1.082 0.02 . . . . . . . 11 THR QG2 . 51902 1 140 . 1 . 1 11 11 THR C C 13 173.656 0.05 . . . . . . . 11 THR C . 51902 1 141 . 1 . 1 11 11 THR CA C 13 59.198 0.05 . . . . . . . 11 THR CA . 51902 1 142 . 1 . 1 11 11 THR CB C 13 71.233 0.05 . . . . . . . 11 THR CB . 51902 1 143 . 1 . 1 11 11 THR CG2 C 13 22.284 0.05 . . . . . . . 11 THR CG2 . 51902 1 144 . 1 . 1 11 11 THR N N 15 119.867 0.05 . . . . . . . 11 THR N . 51902 1 145 . 1 . 1 12 12 LEU H H 1 9.198 0.02 . . . . . . . 12 LEU H . 51902 1 146 . 1 . 1 12 12 LEU HA H 1 4.617 0.02 . . . . . . . 12 LEU HA . 51902 1 147 . 1 . 1 12 12 LEU HB2 H 1 1.886 0.02 . . . . . . . 12 LEU HB2 . 51902 1 148 . 1 . 1 12 12 LEU HB3 H 1 1.404 0.02 . . . . . . . 12 LEU HB3 . 51902 1 149 . 1 . 1 12 12 LEU HG H 1 1.914 0.02 . . . . . . . 12 LEU HG . 51902 1 150 . 1 . 1 12 12 LEU HD11 H 1 1.015 0.02 . . . . . . . 12 LEU QD1 . 51902 1 151 . 1 . 1 12 12 LEU HD12 H 1 1.015 0.02 . . . . . . . 12 LEU QD1 . 51902 1 152 . 1 . 1 12 12 LEU HD13 H 1 1.015 0.02 . . . . . . . 12 LEU QD1 . 51902 1 153 . 1 . 1 12 12 LEU HD21 H 1 0.646 0.02 . . . . . . . 12 LEU QD2 . 51902 1 154 . 1 . 1 12 12 LEU HD22 H 1 0.646 0.02 . . . . . . . 12 LEU QD2 . 51902 1 155 . 1 . 1 12 12 LEU HD23 H 1 0.646 0.02 . . . . . . . 12 LEU QD2 . 51902 1 156 . 1 . 1 12 12 LEU C C 13 179.085 0.05 . . . . . . . 12 LEU C . 51902 1 157 . 1 . 1 12 12 LEU CA C 13 55.342 0.05 . . . . . . . 12 LEU CA . 51902 1 158 . 1 . 1 12 12 LEU CB C 13 42.57 0.05 . . . . . . . 12 LEU CB . 51902 1 159 . 1 . 1 12 12 LEU CG C 13 26.874 0.05 . . . . . . . 12 LEU CG . 51902 1 160 . 1 . 1 12 12 LEU CD1 C 13 22.863 0.05 . . . . . . . 12 LEU CD1 . 51902 1 161 . 1 . 1 12 12 LEU CD2 C 13 21.31 0.05 . . . . . . . 12 LEU CD2 . 51902 1 162 . 1 . 1 12 12 LEU N N 15 120.793 0.05 . . . . . . . 12 LEU N . 51902 1 163 . 1 . 1 13 13 GLN H H 1 8.84 0.02 . . . . . . . 13 GLN H . 51902 1 164 . 1 . 1 13 13 GLN HA H 1 5.029 0.02 . . . . . . . 13 GLN HA . 51902 1 165 . 1 . 1 13 13 GLN HB2 H 1 1.691 0.02 . . . . . . . 13 GLN HB2 . 51902 1 166 . 1 . 1 13 13 GLN HB3 H 1 1.637 0.02 . . . . . . . 13 GLN HB3 . 51902 1 167 . 1 . 1 13 13 GLN HG2 H 1 1.813 0.02 . . . . . . . 13 GLN HG2 . 51902 1 168 . 1 . 1 13 13 GLN HG3 H 1 2.399 0.02 . . . . . . . 13 GLN HG3 . 51902 1 169 . 1 . 1 13 13 GLN HE21 H 1 6.718 0.02 . . . . . . . 13 GLN HE21 . 51902 1 170 . 1 . 1 13 13 GLN HE22 H 1 5.972 0.02 . . . . . . . 13 GLN HE22 . 51902 1 171 . 1 . 1 13 13 GLN CA C 13 55.504 0.05 . . . . . . . 13 GLN CA . 51902 1 172 . 1 . 1 13 13 GLN CB C 13 26.794 0.05 . . . . . . . 13 GLN CB . 51902 1 173 . 1 . 1 13 13 GLN CG C 13 34.214 0.05 . . . . . . . 13 GLN CG . 51902 1 174 . 1 . 1 13 13 GLN N N 15 123.89 0.05 . . . . . . . 13 GLN N . 51902 1 175 . 1 . 1 13 13 GLN NE2 N 15 111.013 0.05 . . . . . . . 13 GLN NE2 . 51902 1 176 . 1 . 1 14 14 PRO HA H 1 4.173 0.02 . . . . . . . 14 PRO HA . 51902 1 177 . 1 . 1 14 14 PRO HB2 H 1 2.061 0.02 . . . . . . . 14 PRO HB2 . 51902 1 178 . 1 . 1 14 14 PRO HB3 H 1 2.381 0.02 . . . . . . . 14 PRO HB3 . 51902 1 179 . 1 . 1 14 14 PRO HG2 H 1 2.012 0.02 . . . . . . . 14 PRO HG2 . 51902 1 180 . 1 . 1 14 14 PRO HG3 H 1 2.041 0.02 . . . . . . . 14 PRO HG3 . 51902 1 181 . 1 . 1 14 14 PRO HD2 H 1 3.608 0.02 . . . . . . . 14 PRO HD2 . 51902 1 182 . 1 . 1 14 14 PRO HD3 H 1 3.716 0.02 . . . . . . . 14 PRO HD3 . 51902 1 183 . 1 . 1 14 14 PRO C C 13 177.135 0.05 . . . . . . . 14 PRO C . 51902 1 184 . 1 . 1 14 14 PRO CA C 13 65.37 0.05 . . . . . . . 14 PRO CA . 51902 1 185 . 1 . 1 14 14 PRO CB C 13 31.794 0.05 . . . . . . . 14 PRO CB . 51902 1 186 . 1 . 1 14 14 PRO CG C 13 27.809 0.05 . . . . . . . 14 PRO CG . 51902 1 187 . 1 . 1 14 14 PRO CD C 13 50.357 0.05 . . . . . . . 14 PRO CD . 51902 1 188 . 1 . 1 15 15 GLN H H 1 8.817 0.02 . . . . . . . 15 GLN H . 51902 1 189 . 1 . 1 15 15 GLN HA H 1 4.289 0.02 . . . . . . . 15 GLN HA . 51902 1 190 . 1 . 1 15 15 GLN HB2 H 1 2.105 0.02 . . . . . . . 15 GLN HB2 . 51902 1 191 . 1 . 1 15 15 GLN HB3 H 1 2.528 0.02 . . . . . . . 15 GLN HB3 . 51902 1 192 . 1 . 1 15 15 GLN HG2 H 1 2.196 0.02 . . . . . . . 15 GLN HG2 . 51902 1 193 . 1 . 1 15 15 GLN HG3 H 1 2.544 0.02 . . . . . . . 15 GLN HG3 . 51902 1 194 . 1 . 1 15 15 GLN HE21 H 1 7.598 0.02 . . . . . . . 15 GLN HE21 . 51902 1 195 . 1 . 1 15 15 GLN HE22 H 1 7.269 0.02 . . . . . . . 15 GLN HE22 . 51902 1 196 . 1 . 1 15 15 GLN C C 13 175.49 0.05 . . . . . . . 15 GLN C . 51902 1 197 . 1 . 1 15 15 GLN CA C 13 56.332 0.05 . . . . . . . 15 GLN CA . 51902 1 198 . 1 . 1 15 15 GLN CB C 13 26.496 0.05 . . . . . . . 15 GLN CB . 51902 1 199 . 1 . 1 15 15 GLN CG C 13 32.933 0.05 . . . . . . . 15 GLN CG . 51902 1 200 . 1 . 1 15 15 GLN N N 15 115.096 0.05 . . . . . . . 15 GLN N . 51902 1 201 . 1 . 1 15 15 GLN NE2 N 15 112.299 0.05 . . . . . . . 15 GLN NE2 . 51902 1 202 . 1 . 1 16 16 VAL H H 1 7.772 0.02 . . . . . . . 16 VAL H . 51902 1 203 . 1 . 1 16 16 VAL HA H 1 4.245 0.02 . . . . . . . 16 VAL HA . 51902 1 204 . 1 . 1 16 16 VAL HB H 1 2.218 0.02 . . . . . . . 16 VAL HB . 51902 1 205 . 1 . 1 16 16 VAL HG11 H 1 1.003 0.02 . . . . . . . 16 VAL QG1 . 51902 1 206 . 1 . 1 16 16 VAL HG12 H 1 1.003 0.02 . . . . . . . 16 VAL QG1 . 51902 1 207 . 1 . 1 16 16 VAL HG13 H 1 1.003 0.02 . . . . . . . 16 VAL QG1 . 51902 1 208 . 1 . 1 16 16 VAL HG21 H 1 0.831 0.02 . . . . . . . 16 VAL QG2 . 51902 1 209 . 1 . 1 16 16 VAL HG22 H 1 0.831 0.02 . . . . . . . 16 VAL QG2 . 51902 1 210 . 1 . 1 16 16 VAL HG23 H 1 0.831 0.02 . . . . . . . 16 VAL QG2 . 51902 1 211 . 1 . 1 16 16 VAL C C 13 175.088 0.05 . . . . . . . 16 VAL C . 51902 1 212 . 1 . 1 16 16 VAL CA C 13 62.358 0.05 . . . . . . . 16 VAL CA . 51902 1 213 . 1 . 1 16 16 VAL CB C 13 31.994 0.05 . . . . . . . 16 VAL CB . 51902 1 214 . 1 . 1 16 16 VAL CG1 C 13 21.805 0.05 . . . . . . . 16 VAL CG1 . 51902 1 215 . 1 . 1 16 16 VAL CG2 C 13 25.076 0.05 . . . . . . . 16 VAL CG2 . 51902 1 216 . 1 . 1 16 16 VAL N N 15 125.339 0.05 . . . . . . . 16 VAL N . 51902 1 217 . 1 . 1 17 17 LEU H H 1 8.33 0.02 . . . . . . . 17 LEU H . 51902 1 218 . 1 . 1 17 17 LEU HA H 1 4.037 0.02 . . . . . . . 17 LEU HA . 51902 1 219 . 1 . 1 17 17 LEU HB2 H 1 1.594 0.02 . . . . . . . 17 LEU HB2 . 51902 1 220 . 1 . 1 17 17 LEU HB3 H 1 1.64 0.02 . . . . . . . 17 LEU HB3 . 51902 1 221 . 1 . 1 17 17 LEU HG H 1 1.547 0.02 . . . . . . . 17 LEU HG . 51902 1 222 . 1 . 1 17 17 LEU HD11 H 1 0.864 0.02 . . . . . . . 17 LEU QQD . 51902 1 223 . 1 . 1 17 17 LEU HD12 H 1 0.864 0.02 . . . . . . . 17 LEU QQD . 51902 1 224 . 1 . 1 17 17 LEU HD13 H 1 0.864 0.02 . . . . . . . 17 LEU QQD . 51902 1 225 . 1 . 1 17 17 LEU HD21 H 1 0.864 0.02 . . . . . . . 17 LEU QQD . 51902 1 226 . 1 . 1 17 17 LEU HD22 H 1 0.864 0.02 . . . . . . . 17 LEU QQD . 51902 1 227 . 1 . 1 17 17 LEU HD23 H 1 0.864 0.02 . . . . . . . 17 LEU QQD . 51902 1 228 . 1 . 1 17 17 LEU C C 13 175.558 0.05 . . . . . . . 17 LEU C . 51902 1 229 . 1 . 1 17 17 LEU CA C 13 56.213 0.05 . . . . . . . 17 LEU CA . 51902 1 230 . 1 . 1 17 17 LEU CB C 13 41.829 0.05 . . . . . . . 17 LEU CB . 51902 1 231 . 1 . 1 17 17 LEU CG C 13 25.336 0.05 . . . . . . . 17 LEU CG . 51902 1 232 . 1 . 1 17 17 LEU CD1 C 13 23.526 0.05 . . . . . . . 17 LEU CD1 . 51902 1 233 . 1 . 1 17 17 LEU CD2 C 13 23.526 0.05 . . . . . . . 17 LEU CD2 . 51902 1 234 . 1 . 1 17 17 LEU N N 15 129.002 0.05 . . . . . . . 17 LEU N . 51902 1 235 . 1 . 1 18 18 ASP H H 1 8.688 0.02 . . . . . . . 18 ASP H . 51902 1 236 . 1 . 1 18 18 ASP HA H 1 4.663 0.02 . . . . . . . 18 ASP HA . 51902 1 237 . 1 . 1 18 18 ASP HB2 H 1 3.287 0.02 . . . . . . . 18 ASP HB2 . 51902 1 238 . 1 . 1 18 18 ASP HB3 H 1 2.453 0.02 . . . . . . . 18 ASP HB3 . 51902 1 239 . 1 . 1 18 18 ASP CA C 13 51.716 0.05 . . . . . . . 18 ASP CA . 51902 1 240 . 1 . 1 18 18 ASP CB C 13 40.644 0.05 . . . . . . . 18 ASP CB . 51902 1 241 . 1 . 1 18 18 ASP N N 15 127.428 0.05 . . . . . . . 18 ASP N . 51902 1 242 . 1 . 1 19 19 THR HA H 1 4.344 0.02 . . . . . . . 19 THR HA . 51902 1 243 . 1 . 1 19 19 THR HB H 1 4.683 0.02 . . . . . . . 19 THR HB . 51902 1 244 . 1 . 1 19 19 THR HG21 H 1 1.374 0.02 . . . . . . . 19 THR QG2 . 51902 1 245 . 1 . 1 19 19 THR HG22 H 1 1.374 0.02 . . . . . . . 19 THR QG2 . 51902 1 246 . 1 . 1 19 19 THR HG23 H 1 1.374 0.02 . . . . . . . 19 THR QG2 . 51902 1 247 . 1 . 1 19 19 THR CA C 13 64.144 0.05 . . . . . . . 19 THR CA . 51902 1 248 . 1 . 1 19 19 THR CB C 13 68.207 0.05 . . . . . . . 19 THR CB . 51902 1 249 . 1 . 1 19 19 THR CG2 C 13 22.019 0.05 . . . . . . . 19 THR CG2 . 51902 1 250 . 1 . 1 20 20 GLN HA H 1 4.108 0.02 . . . . . . . 20 GLN HA . 51902 1 251 . 1 . 1 20 20 GLN HB2 H 1 2.158 0.02 . . . . . . . 20 GLN HB2 . 51902 1 252 . 1 . 1 20 20 GLN HB3 H 1 2.202 0.02 . . . . . . . 20 GLN HB3 . 51902 1 253 . 1 . 1 20 20 GLN HG2 H 1 2.539 0.02 . . . . . . . 20 GLN HG2 . 51902 1 254 . 1 . 1 20 20 GLN HG3 H 1 2.35 0.02 . . . . . . . 20 GLN HG3 . 51902 1 255 . 1 . 1 20 20 GLN HE21 H 1 7.61 0.02 . . . . . . . 20 GLN HE21 . 51902 1 256 . 1 . 1 20 20 GLN HE22 H 1 6.783 0.02 . . . . . . . 20 GLN HE22 . 51902 1 257 . 1 . 1 20 20 GLN C C 13 179.024 0.05 . . . . . . . 20 GLN C . 51902 1 258 . 1 . 1 20 20 GLN CA C 13 59.462 0.05 . . . . . . . 20 GLN CA . 51902 1 259 . 1 . 1 20 20 GLN CB C 13 28.641 0.05 . . . . . . . 20 GLN CB . 51902 1 260 . 1 . 1 20 20 GLN CG C 13 35.05 0.05 . . . . . . . 20 GLN CG . 51902 1 261 . 1 . 1 20 20 GLN NE2 N 15 111.709 0.05 . . . . . . . 20 GLN NE2 . 51902 1 262 . 1 . 1 21 21 GLY H H 1 9.145 0.02 . . . . . . . 21 GLY H . 51902 1 263 . 1 . 1 21 21 GLY HA2 H 1 4.066 0.02 . . . . . . . 21 GLY HA2 . 51902 1 264 . 1 . 1 21 21 GLY HA3 H 1 3.346 0.02 . . . . . . . 21 GLY HA3 . 51902 1 265 . 1 . 1 21 21 GLY CA C 13 48.044 0.05 . . . . . . . 21 GLY CA . 51902 1 266 . 1 . 1 21 21 GLY N N 15 110.778 0.05 . . . . . . . 21 GLY N . 51902 1 267 . 1 . 1 23 23 THR HA H 1 4.633 0.02 . . . . . . . 23 THR HA . 51902 1 268 . 1 . 1 23 23 THR HB H 1 4.092 0.02 . . . . . . . 23 THR HB . 51902 1 269 . 1 . 1 23 23 THR HG21 H 1 0.917 0.02 . . . . . . . 23 THR QG2 . 51902 1 270 . 1 . 1 23 23 THR HG22 H 1 0.917 0.02 . . . . . . . 23 THR QG2 . 51902 1 271 . 1 . 1 23 23 THR HG23 H 1 0.917 0.02 . . . . . . . 23 THR QG2 . 51902 1 272 . 1 . 1 23 23 THR CA C 13 56.706 0.05 . . . . . . . 23 THR CA . 51902 1 273 . 1 . 1 23 23 THR CB C 13 70.934 0.05 . . . . . . . 23 THR CB . 51902 1 274 . 1 . 1 23 23 THR CG2 C 13 21.044 0.05 . . . . . . . 23 THR CG2 . 51902 1 275 . 1 . 1 24 24 LEU HA H 1 4.113 0.02 . . . . . . . 24 LEU HA . 51902 1 276 . 1 . 1 24 24 LEU HB2 H 1 1.901 0.02 . . . . . . . 24 LEU HB2 . 51902 1 277 . 1 . 1 24 24 LEU HB3 H 1 1.314 0.02 . . . . . . . 24 LEU HB3 . 51902 1 278 . 1 . 1 24 24 LEU HG H 1 1.409 0.02 . . . . . . . 24 LEU HG . 51902 1 279 . 1 . 1 24 24 LEU HD11 H 1 1.034 0.02 . . . . . . . 24 LEU QD1 . 51902 1 280 . 1 . 1 24 24 LEU HD12 H 1 1.034 0.02 . . . . . . . 24 LEU QD1 . 51902 1 281 . 1 . 1 24 24 LEU HD13 H 1 1.034 0.02 . . . . . . . 24 LEU QD1 . 51902 1 282 . 1 . 1 24 24 LEU HD21 H 1 1.083 0.02 . . . . . . . 24 LEU QD2 . 51902 1 283 . 1 . 1 24 24 LEU HD22 H 1 1.083 0.02 . . . . . . . 24 LEU QD2 . 51902 1 284 . 1 . 1 24 24 LEU HD23 H 1 1.083 0.02 . . . . . . . 24 LEU QD2 . 51902 1 285 . 1 . 1 24 24 LEU C C 13 178.032 0.05 . . . . . . . 24 LEU C . 51902 1 286 . 1 . 1 24 24 LEU CA C 13 57.823 0.05 . . . . . . . 24 LEU CA . 51902 1 287 . 1 . 1 24 24 LEU CB C 13 42.891 0.05 . . . . . . . 24 LEU CB . 51902 1 288 . 1 . 1 24 24 LEU CG C 13 27.115 0.05 . . . . . . . 24 LEU CG . 51902 1 289 . 1 . 1 24 24 LEU CD1 C 13 23.967 0.05 . . . . . . . 24 LEU CD1 . 51902 1 290 . 1 . 1 24 24 LEU CD2 C 13 23.846 0.05 . . . . . . . 24 LEU CD2 . 51902 1 291 . 1 . 1 25 25 THR H H 1 8.491 0.02 . . . . . . . 25 THR H . 51902 1 292 . 1 . 1 25 25 THR HA H 1 4.228 0.02 . . . . . . . 25 THR HA . 51902 1 293 . 1 . 1 25 25 THR HB H 1 3.468 0.02 . . . . . . . 25 THR HB . 51902 1 294 . 1 . 1 25 25 THR HG21 H 1 0.975 0.02 . . . . . . . 25 THR QG2 . 51902 1 295 . 1 . 1 25 25 THR HG22 H 1 0.975 0.02 . . . . . . . 25 THR QG2 . 51902 1 296 . 1 . 1 25 25 THR HG23 H 1 0.975 0.02 . . . . . . . 25 THR QG2 . 51902 1 297 . 1 . 1 25 25 THR C C 13 175.423 0.05 . . . . . . . 25 THR C . 51902 1 298 . 1 . 1 25 25 THR CA C 13 68.028 0.05 . . . . . . . 25 THR CA . 51902 1 299 . 1 . 1 25 25 THR CB C 13 68.369 0.05 . . . . . . . 25 THR CB . 51902 1 300 . 1 . 1 25 25 THR CG2 C 13 21.744 0.05 . . . . . . . 25 THR CG2 . 51902 1 301 . 1 . 1 25 25 THR N N 15 117.476 0.05 . . . . . . . 25 THR N . 51902 1 302 . 1 . 1 26 26 ARG H H 1 7.484 0.02 . . . . . . . 26 ARG H . 51902 1 303 . 1 . 1 26 26 ARG HA H 1 3.904 0.02 . . . . . . . 26 ARG HA . 51902 1 304 . 1 . 1 26 26 ARG HB2 H 1 1.915 0.02 . . . . . . . 26 ARG HB2 . 51902 1 305 . 1 . 1 26 26 ARG HB3 H 1 1.978 0.02 . . . . . . . 26 ARG HB3 . 51902 1 306 . 1 . 1 26 26 ARG HG2 H 1 1.74 0.02 . . . . . . . 26 ARG HG2 . 51902 1 307 . 1 . 1 26 26 ARG HG3 H 1 1.662 0.02 . . . . . . . 26 ARG HG3 . 51902 1 308 . 1 . 1 26 26 ARG HD2 H 1 3.291 0.02 . . . . . . . 26 ARG HD2 . 51902 1 309 . 1 . 1 26 26 ARG HD3 H 1 3.14 0.02 . . . . . . . 26 ARG HD3 . 51902 1 310 . 1 . 1 26 26 ARG C C 13 178.061 0.05 . . . . . . . 26 ARG C . 51902 1 311 . 1 . 1 26 26 ARG CA C 13 59.343 0.05 . . . . . . . 26 ARG CA . 51902 1 312 . 1 . 1 26 26 ARG CB C 13 29.434 0.05 . . . . . . . 26 ARG CB . 51902 1 313 . 1 . 1 26 26 ARG CG C 13 27.33 0.05 . . . . . . . 26 ARG CG . 51902 1 314 . 1 . 1 26 26 ARG CD C 13 43.176 0.05 . . . . . . . 26 ARG CD . 51902 1 315 . 1 . 1 26 26 ARG N N 15 120.27 0.05 . . . . . . . 26 ARG N . 51902 1 316 . 1 . 1 27 27 ALA H H 1 7.808 0.02 . . . . . . . 27 ALA H . 51902 1 317 . 1 . 1 27 27 ALA HA H 1 4.12 0.02 . . . . . . . 27 ALA HA . 51902 1 318 . 1 . 1 27 27 ALA HB1 H 1 1.508 0.02 . . . . . . . 27 ALA QB . 51902 1 319 . 1 . 1 27 27 ALA HB2 H 1 1.508 0.02 . . . . . . . 27 ALA QB . 51902 1 320 . 1 . 1 27 27 ALA HB3 H 1 1.508 0.02 . . . . . . . 27 ALA QB . 51902 1 321 . 1 . 1 27 27 ALA CA C 13 55.35 0.05 . . . . . . . 27 ALA CA . 51902 1 322 . 1 . 1 27 27 ALA CB C 13 18.312 0.05 . . . . . . . 27 ALA CB . 51902 1 323 . 1 . 1 27 27 ALA N N 15 121.29 0.05 . . . . . . . 27 ALA N . 51902 1 324 . 1 . 1 28 28 VAL HA H 1 3.56 0.02 . . . . . . . 28 VAL HA . 51902 1 325 . 1 . 1 28 28 VAL HB H 1 2.262 0.02 . . . . . . . 28 VAL HB . 51902 1 326 . 1 . 1 28 28 VAL HG11 H 1 1.084 0.02 . . . . . . . 28 VAL QG1 . 51902 1 327 . 1 . 1 28 28 VAL HG12 H 1 1.084 0.02 . . . . . . . 28 VAL QG1 . 51902 1 328 . 1 . 1 28 28 VAL HG13 H 1 1.084 0.02 . . . . . . . 28 VAL QG1 . 51902 1 329 . 1 . 1 28 28 VAL HG21 H 1 1.036 0.02 . . . . . . . 28 VAL QG2 . 51902 1 330 . 1 . 1 28 28 VAL HG22 H 1 1.036 0.02 . . . . . . . 28 VAL QG2 . 51902 1 331 . 1 . 1 28 28 VAL HG23 H 1 1.036 0.02 . . . . . . . 28 VAL QG2 . 51902 1 332 . 1 . 1 28 28 VAL C C 13 179.115 0.05 . . . . . . . 28 VAL C . 51902 1 333 . 1 . 1 28 28 VAL CA C 13 66.493 0.05 . . . . . . . 28 VAL CA . 51902 1 334 . 1 . 1 28 28 VAL CB C 13 31.687 0.05 . . . . . . . 28 VAL CB . 51902 1 335 . 1 . 1 28 28 VAL CG1 C 13 23.973 0.05 . . . . . . . 28 VAL CG1 . 51902 1 336 . 1 . 1 28 28 VAL CG2 C 13 24.076 0.05 . . . . . . . 28 VAL CG2 . 51902 1 337 . 1 . 1 29 29 HIS H H 1 8.277 0.02 . . . . . . . 29 HIS H . 51902 1 338 . 1 . 1 29 29 HIS HA H 1 4.239 0.02 . . . . . . . 29 HIS HA . 51902 1 339 . 1 . 1 29 29 HIS HB2 H 1 3.347 0.02 . . . . . . . 29 HIS HB2 . 51902 1 340 . 1 . 1 29 29 HIS HB3 H 1 3.497 0.02 . . . . . . . 29 HIS HB3 . 51902 1 341 . 1 . 1 29 29 HIS HD2 H 1 7.448 0.02 . . . . . . . 29 HIS HD2 . 51902 1 342 . 1 . 1 29 29 HIS HE1 H 1 8.436 0.02 . . . . . . . 29 HIS HE1 . 51902 1 343 . 1 . 1 29 29 HIS C C 13 179.731 0.05 . . . . . . . 29 HIS C . 51902 1 344 . 1 . 1 29 29 HIS CA C 13 57.943 0.05 . . . . . . . 29 HIS CA . 51902 1 345 . 1 . 1 29 29 HIS CB C 13 28.497 0.05 . . . . . . . 29 HIS CB . 51902 1 346 . 1 . 1 29 29 HIS CD2 C 13 118.656 0.05 . . . . . . . 29 HIS CD2 . 51902 1 347 . 1 . 1 29 29 HIS CE1 C 13 136.642 0.05 . . . . . . . 29 HIS CE1 . 51902 1 348 . 1 . 1 29 29 HIS N N 15 120.381 0.05 . . . . . . . 29 HIS N . 51902 1 349 . 1 . 1 30 30 ASP H H 1 8.883 0.02 . . . . . . . 30 ASP H . 51902 1 350 . 1 . 1 30 30 ASP HA H 1 4.51 0.02 . . . . . . . 30 ASP HA . 51902 1 351 . 1 . 1 30 30 ASP HB2 H 1 2.672 0.02 . . . . . . . 30 ASP HB2 . 51902 1 352 . 1 . 1 30 30 ASP HB3 H 1 2.871 0.02 . . . . . . . 30 ASP HB3 . 51902 1 353 . 1 . 1 30 30 ASP C C 13 178.133 0.05 . . . . . . . 30 ASP C . 51902 1 354 . 1 . 1 30 30 ASP CA C 13 57.558 0.05 . . . . . . . 30 ASP CA . 51902 1 355 . 1 . 1 30 30 ASP CB C 13 39.942 0.05 . . . . . . . 30 ASP CB . 51902 1 356 . 1 . 1 30 30 ASP N N 15 124.043 0.05 . . . . . . . 30 ASP N . 51902 1 357 . 1 . 1 31 31 LEU H H 1 7.544 0.02 . . . . . . . 31 LEU H . 51902 1 358 . 1 . 1 31 31 LEU HA H 1 4.272 0.02 . . . . . . . 31 LEU HA . 51902 1 359 . 1 . 1 31 31 LEU HB2 H 1 2.078 0.02 . . . . . . . 31 LEU HB2 . 51902 1 360 . 1 . 1 31 31 LEU HB3 H 1 1.809 0.02 . . . . . . . 31 LEU HB3 . 51902 1 361 . 1 . 1 31 31 LEU HG H 1 1.547 0.02 . . . . . . . 31 LEU HG . 51902 1 362 . 1 . 1 31 31 LEU HD11 H 1 0.847 0.02 . . . . . . . 31 LEU QD1 . 51902 1 363 . 1 . 1 31 31 LEU HD12 H 1 0.847 0.02 . . . . . . . 31 LEU QD1 . 51902 1 364 . 1 . 1 31 31 LEU HD13 H 1 0.847 0.02 . . . . . . . 31 LEU QD1 . 51902 1 365 . 1 . 1 31 31 LEU HD21 H 1 0.793 0.02 . . . . . . . 31 LEU QD2 . 51902 1 366 . 1 . 1 31 31 LEU HD22 H 1 0.793 0.02 . . . . . . . 31 LEU QD2 . 51902 1 367 . 1 . 1 31 31 LEU HD23 H 1 0.793 0.02 . . . . . . . 31 LEU QD2 . 51902 1 368 . 1 . 1 31 31 LEU C C 13 176.652 0.05 . . . . . . . 31 LEU C . 51902 1 369 . 1 . 1 31 31 LEU CA C 13 55.655 0.05 . . . . . . . 31 LEU CA . 51902 1 370 . 1 . 1 31 31 LEU CB C 13 42.93 0.05 . . . . . . . 31 LEU CB . 51902 1 371 . 1 . 1 31 31 LEU CG C 13 25.696 0.05 . . . . . . . 31 LEU CG . 51902 1 372 . 1 . 1 31 31 LEU CD1 C 13 23.102 0.05 . . . . . . . 31 LEU CD1 . 51902 1 373 . 1 . 1 31 31 LEU CD2 C 13 21.704 0.05 . . . . . . . 31 LEU CD2 . 51902 1 374 . 1 . 1 31 31 LEU N N 15 119.158 0.05 . . . . . . . 31 LEU N . 51902 1 375 . 1 . 1 32 32 GLY H H 1 7.834 0.02 . . . . . . . 32 GLY H . 51902 1 376 . 1 . 1 32 32 GLY HA2 H 1 4.215 0.02 . . . . . . . 32 GLY HA2 . 51902 1 377 . 1 . 1 32 32 GLY HA3 H 1 3.616 0.02 . . . . . . . 32 GLY HA3 . 51902 1 378 . 1 . 1 32 32 GLY C C 13 174.662 0.05 . . . . . . . 32 GLY C . 51902 1 379 . 1 . 1 32 32 GLY CA C 13 44.598 0.05 . . . . . . . 32 GLY CA . 51902 1 380 . 1 . 1 32 32 GLY N N 15 104.944 0.05 . . . . . . . 32 GLY N . 51902 1 381 . 1 . 1 33 33 TYR H H 1 7.711 0.02 . . . . . . . 33 TYR H . 51902 1 382 . 1 . 1 33 33 TYR HA H 1 4.974 0.02 . . . . . . . 33 TYR HA . 51902 1 383 . 1 . 1 33 33 TYR HB2 H 1 2.79 0.02 . . . . . . . 33 TYR HB2 . 51902 1 384 . 1 . 1 33 33 TYR HB3 H 1 2.836 0.02 . . . . . . . 33 TYR HB3 . 51902 1 385 . 1 . 1 33 33 TYR HD1 H 1 6.92 0.02 . . . . . . . 33 TYR QD . 51902 1 386 . 1 . 1 33 33 TYR HD2 H 1 6.92 0.02 . . . . . . . 33 TYR QD . 51902 1 387 . 1 . 1 33 33 TYR HE1 H 1 6.64 0.02 . . . . . . . 33 TYR QE . 51902 1 388 . 1 . 1 33 33 TYR HE2 H 1 6.64 0.02 . . . . . . . 33 TYR QE . 51902 1 389 . 1 . 1 33 33 TYR C C 13 175.79 0.05 . . . . . . . 33 TYR C . 51902 1 390 . 1 . 1 33 33 TYR CA C 13 56.916 0.05 . . . . . . . 33 TYR CA . 51902 1 391 . 1 . 1 33 33 TYR CB C 13 36.549 0.05 . . . . . . . 33 TYR CB . 51902 1 392 . 1 . 1 33 33 TYR CD1 C 13 133.27 0.05 . . . . . . . 33 TYR CD1 . 51902 1 393 . 1 . 1 33 33 TYR CD2 C 13 133.27 0.05 . . . . . . . 33 TYR CD2 . 51902 1 394 . 1 . 1 33 33 TYR CE1 C 13 117.503 0.05 . . . . . . . 33 TYR CE1 . 51902 1 395 . 1 . 1 33 33 TYR CE2 C 13 117.503 0.05 . . . . . . . 33 TYR CE2 . 51902 1 396 . 1 . 1 33 33 TYR N N 15 121.843 0.05 . . . . . . . 33 TYR N . 51902 1 397 . 1 . 1 34 34 ALA H H 1 7.554 0.02 . . . . . . . 34 ALA H . 51902 1 398 . 1 . 1 34 34 ALA HA H 1 3.552 0.02 . . . . . . . 34 ALA HA . 51902 1 399 . 1 . 1 34 34 ALA HB1 H 1 1.217 0.02 . . . . . . . 34 ALA QB . 51902 1 400 . 1 . 1 34 34 ALA HB2 H 1 1.217 0.02 . . . . . . . 34 ALA QB . 51902 1 401 . 1 . 1 34 34 ALA HB3 H 1 1.217 0.02 . . . . . . . 34 ALA QB . 51902 1 402 . 1 . 1 34 34 ALA C C 13 177.345 0.05 . . . . . . . 34 ALA C . 51902 1 403 . 1 . 1 34 34 ALA CA C 13 53.832 0.05 . . . . . . . 34 ALA CA . 51902 1 404 . 1 . 1 34 34 ALA CB C 13 18.5 0.05 . . . . . . . 34 ALA CB . 51902 1 405 . 1 . 1 34 34 ALA N N 15 123.199 0.05 . . . . . . . 34 ALA N . 51902 1 406 . 1 . 1 35 35 GLN H H 1 9.699 0.02 . . . . . . . 35 GLN H . 51902 1 407 . 1 . 1 35 35 GLN HA H 1 4.526 0.02 . . . . . . . 35 GLN HA . 51902 1 408 . 1 . 1 35 35 GLN HB2 H 1 2.012 0.02 . . . . . . . 35 GLN HB2 . 51902 1 409 . 1 . 1 35 35 GLN HB3 H 1 2.435 0.02 . . . . . . . 35 GLN HB3 . 51902 1 410 . 1 . 1 35 35 GLN HG2 H 1 2.52 0.02 . . . . . . . 35 GLN HG2 . 51902 1 411 . 1 . 1 35 35 GLN HG3 H 1 2.054 0.02 . . . . . . . 35 GLN HG3 . 51902 1 412 . 1 . 1 35 35 GLN HE21 H 1 7.078 0.02 . . . . . . . 35 GLN HE21 . 51902 1 413 . 1 . 1 35 35 GLN HE22 H 1 7.971 0.02 . . . . . . . 35 GLN HE22 . 51902 1 414 . 1 . 1 35 35 GLN C C 13 175.192 0.05 . . . . . . . 35 GLN C . 51902 1 415 . 1 . 1 35 35 GLN CA C 13 56.368 0.05 . . . . . . . 35 GLN CA . 51902 1 416 . 1 . 1 35 35 GLN CB C 13 28.939 0.05 . . . . . . . 35 GLN CB . 51902 1 417 . 1 . 1 35 35 GLN CG C 13 33.993 0.05 . . . . . . . 35 GLN CG . 51902 1 418 . 1 . 1 35 35 GLN N N 15 115.468 0.05 . . . . . . . 35 GLN N . 51902 1 419 . 1 . 1 35 35 GLN NE2 N 15 113.239 0.05 . . . . . . . 35 GLN NE2 . 51902 1 420 . 1 . 1 36 36 VAL H H 1 7.544 0.02 . . . . . . . 36 VAL H . 51902 1 421 . 1 . 1 36 36 VAL HA H 1 4.972 0.02 . . . . . . . 36 VAL HA . 51902 1 422 . 1 . 1 36 36 VAL HB H 1 2.171 0.02 . . . . . . . 36 VAL HB . 51902 1 423 . 1 . 1 36 36 VAL HG11 H 1 0.815 0.02 . . . . . . . 36 VAL QG1 . 51902 1 424 . 1 . 1 36 36 VAL HG12 H 1 0.815 0.02 . . . . . . . 36 VAL QG1 . 51902 1 425 . 1 . 1 36 36 VAL HG13 H 1 0.815 0.02 . . . . . . . 36 VAL QG1 . 51902 1 426 . 1 . 1 36 36 VAL HG21 H 1 1.1 0.02 . . . . . . . 36 VAL QG2 . 51902 1 427 . 1 . 1 36 36 VAL HG22 H 1 1.1 0.02 . . . . . . . 36 VAL QG2 . 51902 1 428 . 1 . 1 36 36 VAL HG23 H 1 1.1 0.02 . . . . . . . 36 VAL QG2 . 51902 1 429 . 1 . 1 36 36 VAL C C 13 177.126 0.05 . . . . . . . 36 VAL C . 51902 1 430 . 1 . 1 36 36 VAL CA C 13 61.436 0.05 . . . . . . . 36 VAL CA . 51902 1 431 . 1 . 1 36 36 VAL CB C 13 31.613 0.05 . . . . . . . 36 VAL CB . 51902 1 432 . 1 . 1 36 36 VAL CG1 C 13 21.834 0.05 . . . . . . . 36 VAL CG1 . 51902 1 433 . 1 . 1 36 36 VAL CG2 C 13 20.473 0.05 . . . . . . . 36 VAL CG2 . 51902 1 434 . 1 . 1 36 36 VAL N N 15 126.101 0.05 . . . . . . . 36 VAL N . 51902 1 435 . 1 . 1 37 37 ASN H H 1 8.818 0.02 . . . . . . . 37 ASN H . 51902 1 436 . 1 . 1 37 37 ASN HA H 1 5.091 0.02 . . . . . . . 37 ASN HA . 51902 1 437 . 1 . 1 37 37 ASN HB2 H 1 2.582 0.02 . . . . . . . 37 ASN HB2 . 51902 1 438 . 1 . 1 37 37 ASN HB3 H 1 2.483 0.02 . . . . . . . 37 ASN HB3 . 51902 1 439 . 1 . 1 37 37 ASN HD21 H 1 7.765 0.02 . . . . . . . 37 ASN HD21 . 51902 1 440 . 1 . 1 37 37 ASN HD22 H 1 6.759 0.02 . . . . . . . 37 ASN HD22 . 51902 1 441 . 1 . 1 37 37 ASN C C 13 173.041 0.05 . . . . . . . 37 ASN C . 51902 1 442 . 1 . 1 37 37 ASN CA C 13 52.341 0.05 . . . . . . . 37 ASN CA . 51902 1 443 . 1 . 1 37 37 ASN CB C 13 44.292 0.05 . . . . . . . 37 ASN CB . 51902 1 444 . 1 . 1 37 37 ASN N N 15 114.947 0.05 . . . . . . . 37 ASN N . 51902 1 445 . 1 . 1 37 37 ASN ND2 N 15 115.483 0.05 . . . . . . . 37 ASN ND2 . 51902 1 446 . 1 . 1 38 38 ASP H H 1 8.436 0.02 . . . . . . . 38 ASP H . 51902 1 447 . 1 . 1 38 38 ASP HA H 1 4.183 0.02 . . . . . . . 38 ASP HA . 51902 1 448 . 1 . 1 38 38 ASP HB2 H 1 2.784 0.02 . . . . . . . 38 ASP HB2 . 51902 1 449 . 1 . 1 38 38 ASP HB3 H 1 2.56 0.02 . . . . . . . 38 ASP HB3 . 51902 1 450 . 1 . 1 38 38 ASP C C 13 173.874 0.05 . . . . . . . 38 ASP C . 51902 1 451 . 1 . 1 38 38 ASP CA C 13 55.173 0.05 . . . . . . . 38 ASP CA . 51902 1 452 . 1 . 1 38 38 ASP CB C 13 40.015 0.05 . . . . . . . 38 ASP CB . 51902 1 453 . 1 . 1 38 38 ASP N N 15 115.108 0.05 . . . . . . . 38 ASP N . 51902 1 454 . 1 . 1 39 39 ILE H H 1 7.05 0.02 . . . . . . . 39 ILE H . 51902 1 455 . 1 . 1 39 39 ILE HA H 1 4.824 0.02 . . . . . . . 39 ILE HA . 51902 1 456 . 1 . 1 39 39 ILE HB H 1 2.016 0.02 . . . . . . . 39 ILE HB . 51902 1 457 . 1 . 1 39 39 ILE HG12 H 1 1.734 0.02 . . . . . . . 39 ILE HG12 . 51902 1 458 . 1 . 1 39 39 ILE HG13 H 1 1.648 0.02 . . . . . . . 39 ILE HG13 . 51902 1 459 . 1 . 1 39 39 ILE HG21 H 1 1.317 0.02 . . . . . . . 39 ILE QG2 . 51902 1 460 . 1 . 1 39 39 ILE HG22 H 1 1.317 0.02 . . . . . . . 39 ILE QG2 . 51902 1 461 . 1 . 1 39 39 ILE HG23 H 1 1.317 0.02 . . . . . . . 39 ILE QG2 . 51902 1 462 . 1 . 1 39 39 ILE HD11 H 1 0.73 0.02 . . . . . . . 39 ILE QD1 . 51902 1 463 . 1 . 1 39 39 ILE HD12 H 1 0.73 0.02 . . . . . . . 39 ILE QD1 . 51902 1 464 . 1 . 1 39 39 ILE HD13 H 1 0.73 0.02 . . . . . . . 39 ILE QD1 . 51902 1 465 . 1 . 1 39 39 ILE C C 13 176.133 0.05 . . . . . . . 39 ILE C . 51902 1 466 . 1 . 1 39 39 ILE CA C 13 62.673 0.05 . . . . . . . 39 ILE CA . 51902 1 467 . 1 . 1 39 39 ILE CB C 13 36.401 0.05 . . . . . . . 39 ILE CB . 51902 1 468 . 1 . 1 39 39 ILE CG1 C 13 27.117 0.05 . . . . . . . 39 ILE CG1 . 51902 1 469 . 1 . 1 39 39 ILE CG2 C 13 17.759 0.05 . . . . . . . 39 ILE CG2 . 51902 1 470 . 1 . 1 39 39 ILE CD1 C 13 14.047 0.05 . . . . . . . 39 ILE CD1 . 51902 1 471 . 1 . 1 39 39 ILE N N 15 116.466 0.05 . . . . . . . 39 ILE N . 51902 1 472 . 1 . 1 40 40 ARG H H 1 9.031 0.02 . . . . . . . 40 ARG H . 51902 1 473 . 1 . 1 40 40 ARG HA H 1 4.967 0.02 . . . . . . . 40 ARG HA . 51902 1 474 . 1 . 1 40 40 ARG HB2 H 1 1.652 0.02 . . . . . . . 40 ARG HB2 . 51902 1 475 . 1 . 1 40 40 ARG HB3 H 1 2.009 0.02 . . . . . . . 40 ARG HB3 . 51902 1 476 . 1 . 1 40 40 ARG HG2 H 1 1.619 0.02 . . . . . . . 40 ARG HG2 . 51902 1 477 . 1 . 1 40 40 ARG HG3 H 1 1.698 0.02 . . . . . . . 40 ARG HG3 . 51902 1 478 . 1 . 1 40 40 ARG HD2 H 1 3.138 0.02 . . . . . . . 40 ARG HD2 . 51902 1 479 . 1 . 1 40 40 ARG HD3 H 1 3.233 0.02 . . . . . . . 40 ARG HD3 . 51902 1 480 . 1 . 1 40 40 ARG C C 13 176.035 0.05 . . . . . . . 40 ARG C . 51902 1 481 . 1 . 1 40 40 ARG CA C 13 53.882 0.05 . . . . . . . 40 ARG CA . 51902 1 482 . 1 . 1 40 40 ARG CB C 13 33.893 0.05 . . . . . . . 40 ARG CB . 51902 1 483 . 1 . 1 40 40 ARG CG C 13 27.065 0.05 . . . . . . . 40 ARG CG . 51902 1 484 . 1 . 1 40 40 ARG CD C 13 43.138 0.05 . . . . . . . 40 ARG CD . 51902 1 485 . 1 . 1 40 40 ARG N N 15 127.846 0.05 . . . . . . . 40 ARG N . 51902 1 486 . 1 . 1 41 41 VAL H H 1 9.812 0.02 . . . . . . . 41 VAL H . 51902 1 487 . 1 . 1 41 41 VAL HA H 1 4.676 0.02 . . . . . . . 41 VAL HA . 51902 1 488 . 1 . 1 41 41 VAL HB H 1 2.166 0.02 . . . . . . . 41 VAL HB . 51902 1 489 . 1 . 1 41 41 VAL HG11 H 1 0.872 0.02 . . . . . . . 41 VAL QG1 . 51902 1 490 . 1 . 1 41 41 VAL HG12 H 1 0.872 0.02 . . . . . . . 41 VAL QG1 . 51902 1 491 . 1 . 1 41 41 VAL HG13 H 1 0.872 0.02 . . . . . . . 41 VAL QG1 . 51902 1 492 . 1 . 1 41 41 VAL HG21 H 1 0.673 0.02 . . . . . . . 41 VAL QG2 . 51902 1 493 . 1 . 1 41 41 VAL HG22 H 1 0.673 0.02 . . . . . . . 41 VAL QG2 . 51902 1 494 . 1 . 1 41 41 VAL HG23 H 1 0.673 0.02 . . . . . . . 41 VAL QG2 . 51902 1 495 . 1 . 1 41 41 VAL C C 13 176.927 0.05 . . . . . . . 41 VAL C . 51902 1 496 . 1 . 1 41 41 VAL CA C 13 62.101 0.05 . . . . . . . 41 VAL CA . 51902 1 497 . 1 . 1 41 41 VAL CB C 13 33.065 0.05 . . . . . . . 41 VAL CB . 51902 1 498 . 1 . 1 41 41 VAL CG1 C 13 21.289 0.05 . . . . . . . 41 VAL CG1 . 51902 1 499 . 1 . 1 41 41 VAL CG2 C 13 21.236 0.05 . . . . . . . 41 VAL CG2 . 51902 1 500 . 1 . 1 41 41 VAL N N 15 122.95 0.05 . . . . . . . 41 VAL N . 51902 1 501 . 1 . 1 42 42 GLY H H 1 9.706 0.02 . . . . . . . 42 GLY H . 51902 1 502 . 1 . 1 42 42 GLY HA2 H 1 4.888 0.02 . . . . . . . 42 GLY HA2 . 51902 1 503 . 1 . 1 42 42 GLY HA3 H 1 3.825 0.02 . . . . . . . 42 GLY HA3 . 51902 1 504 . 1 . 1 42 42 GLY C C 13 173.674 0.05 . . . . . . . 42 GLY C . 51902 1 505 . 1 . 1 42 42 GLY CA C 13 44.462 0.05 . . . . . . . 42 GLY CA . 51902 1 506 . 1 . 1 42 42 GLY N N 15 117.727 0.05 . . . . . . . 42 GLY N . 51902 1 507 . 1 . 1 43 43 LYS H H 1 9.188 0.02 . . . . . . . 43 LYS H . 51902 1 508 . 1 . 1 43 43 LYS HA H 1 5.032 0.02 . . . . . . . 43 LYS HA . 51902 1 509 . 1 . 1 43 43 LYS HB2 H 1 1.643 0.02 . . . . . . . 43 LYS HB2 . 51902 1 510 . 1 . 1 43 43 LYS HB3 H 1 1.717 0.02 . . . . . . . 43 LYS HB3 . 51902 1 511 . 1 . 1 43 43 LYS HG2 H 1 1.47 0.02 . . . . . . . 43 LYS HG2 . 51902 1 512 . 1 . 1 43 43 LYS HG3 H 1 0.87 0.02 . . . . . . . 43 LYS HG3 . 51902 1 513 . 1 . 1 43 43 LYS HD2 H 1 1.358 0.02 . . . . . . . 43 LYS HD2 . 51902 1 514 . 1 . 1 43 43 LYS HD3 H 1 1.589 0.02 . . . . . . . 43 LYS HD3 . 51902 1 515 . 1 . 1 43 43 LYS HE2 H 1 2.917 0.02 . . . . . . . 43 LYS HE2 . 51902 1 516 . 1 . 1 43 43 LYS HE3 H 1 2.949 0.02 . . . . . . . 43 LYS HE3 . 51902 1 517 . 1 . 1 43 43 LYS C C 13 174.672 0.05 . . . . . . . 43 LYS C . 51902 1 518 . 1 . 1 43 43 LYS CA C 13 55.102 0.05 . . . . . . . 43 LYS CA . 51902 1 519 . 1 . 1 43 43 LYS CB C 13 36.481 0.05 . . . . . . . 43 LYS CB . 51902 1 520 . 1 . 1 43 43 LYS CG C 13 24.912 0.05 . . . . . . . 43 LYS CG . 51902 1 521 . 1 . 1 43 43 LYS CD C 13 29.136 0.05 . . . . . . . 43 LYS CD . 51902 1 522 . 1 . 1 43 43 LYS CE C 13 41.681 0.05 . . . . . . . 43 LYS CE . 51902 1 523 . 1 . 1 43 43 LYS N N 15 122.398 0.05 . . . . . . . 43 LYS N . 51902 1 524 . 1 . 1 44 44 VAL H H 1 7.72 0.02 . . . . . . . 44 VAL H . 51902 1 525 . 1 . 1 44 44 VAL HA H 1 5.188 0.02 . . . . . . . 44 VAL HA . 51902 1 526 . 1 . 1 44 44 VAL HB H 1 1.405 0.02 . . . . . . . 44 VAL HB . 51902 1 527 . 1 . 1 44 44 VAL HG11 H 1 0.073 0.02 . . . . . . . 44 VAL QG1 . 51902 1 528 . 1 . 1 44 44 VAL HG12 H 1 0.073 0.02 . . . . . . . 44 VAL QG1 . 51902 1 529 . 1 . 1 44 44 VAL HG13 H 1 0.073 0.02 . . . . . . . 44 VAL QG1 . 51902 1 530 . 1 . 1 44 44 VAL HG21 H 1 0.435 0.02 . . . . . . . 44 VAL QG2 . 51902 1 531 . 1 . 1 44 44 VAL HG22 H 1 0.435 0.02 . . . . . . . 44 VAL QG2 . 51902 1 532 . 1 . 1 44 44 VAL HG23 H 1 0.435 0.02 . . . . . . . 44 VAL QG2 . 51902 1 533 . 1 . 1 44 44 VAL C C 13 171.308 0.05 . . . . . . . 44 VAL C . 51902 1 534 . 1 . 1 44 44 VAL CA C 13 58.212 0.05 . . . . . . . 44 VAL CA . 51902 1 535 . 1 . 1 44 44 VAL CB C 13 35.188 0.05 . . . . . . . 44 VAL CB . 51902 1 536 . 1 . 1 44 44 VAL CG1 C 13 21.327 0.05 . . . . . . . 44 VAL CG1 . 51902 1 537 . 1 . 1 44 44 VAL CG2 C 13 18.407 0.05 . . . . . . . 44 VAL CG2 . 51902 1 538 . 1 . 1 44 44 VAL N N 15 120.095 0.05 . . . . . . . 44 VAL N . 51902 1 539 . 1 . 1 45 45 LEU H H 1 9.074 0.02 . . . . . . . 45 LEU H . 51902 1 540 . 1 . 1 45 45 LEU HA H 1 5.283 0.02 . . . . . . . 45 LEU HA . 51902 1 541 . 1 . 1 45 45 LEU HB2 H 1 0.9 0.02 . . . . . . . 45 LEU HB2 . 51902 1 542 . 1 . 1 45 45 LEU HB3 H 1 0.962 0.02 . . . . . . . 45 LEU HB3 . 51902 1 543 . 1 . 1 45 45 LEU HG H 1 0.764 0.02 . . . . . . . 45 LEU HG . 51902 1 544 . 1 . 1 45 45 LEU HD11 H 1 0.068 0.02 . . . . . . . 45 LEU QD1 . 51902 1 545 . 1 . 1 45 45 LEU HD12 H 1 0.068 0.02 . . . . . . . 45 LEU QD1 . 51902 1 546 . 1 . 1 45 45 LEU HD13 H 1 0.068 0.02 . . . . . . . 45 LEU QD1 . 51902 1 547 . 1 . 1 45 45 LEU HD21 H 1 0.362 0.02 . . . . . . . 45 LEU QD2 . 51902 1 548 . 1 . 1 45 45 LEU HD22 H 1 0.362 0.02 . . . . . . . 45 LEU QD2 . 51902 1 549 . 1 . 1 45 45 LEU HD23 H 1 0.362 0.02 . . . . . . . 45 LEU QD2 . 51902 1 550 . 1 . 1 45 45 LEU C C 13 174.956 0.05 . . . . . . . 45 LEU C . 51902 1 551 . 1 . 1 45 45 LEU CA C 13 53.576 0.05 . . . . . . . 45 LEU CA . 51902 1 552 . 1 . 1 45 45 LEU CB C 13 44.903 0.05 . . . . . . . 45 LEU CB . 51902 1 553 . 1 . 1 45 45 LEU CG C 13 25.485 0.05 . . . . . . . 45 LEU CG . 51902 1 554 . 1 . 1 45 45 LEU CD1 C 13 26.285 0.05 . . . . . . . 45 LEU CD1 . 51902 1 555 . 1 . 1 45 45 LEU CD2 C 13 24.485 0.05 . . . . . . . 45 LEU CD2 . 51902 1 556 . 1 . 1 45 45 LEU N N 15 128.009 0.05 . . . . . . . 45 LEU N . 51902 1 557 . 1 . 1 46 46 TYR H H 1 8.697 0.02 . . . . . . . 46 TYR H . 51902 1 558 . 1 . 1 46 46 TYR HA H 1 5.568 0.02 . . . . . . . 46 TYR HA . 51902 1 559 . 1 . 1 46 46 TYR HB2 H 1 2.965 0.02 . . . . . . . 46 TYR HB2 . 51902 1 560 . 1 . 1 46 46 TYR HB3 H 1 2.553 0.02 . . . . . . . 46 TYR HB3 . 51902 1 561 . 1 . 1 46 46 TYR HD1 H 1 6.859 0.02 . . . . . . . 46 TYR QD . 51902 1 562 . 1 . 1 46 46 TYR HD2 H 1 6.859 0.02 . . . . . . . 46 TYR QD . 51902 1 563 . 1 . 1 46 46 TYR HE1 H 1 6.527 0.02 . . . . . . . 46 TYR QE . 51902 1 564 . 1 . 1 46 46 TYR HE2 H 1 6.527 0.02 . . . . . . . 46 TYR QE . 51902 1 565 . 1 . 1 46 46 TYR C C 13 175.396 0.05 . . . . . . . 46 TYR C . 51902 1 566 . 1 . 1 46 46 TYR CA C 13 56.002 0.05 . . . . . . . 46 TYR CA . 51902 1 567 . 1 . 1 46 46 TYR CB C 13 41.707 0.05 . . . . . . . 46 TYR CB . 51902 1 568 . 1 . 1 46 46 TYR CD1 C 13 132.506 0.05 . . . . . . . 46 TYR CD1 . 51902 1 569 . 1 . 1 46 46 TYR CD2 C 13 132.506 0.05 . . . . . . . 46 TYR CD2 . 51902 1 570 . 1 . 1 46 46 TYR CE1 C 13 118.73 0.05 . . . . . . . 46 TYR CE1 . 51902 1 571 . 1 . 1 46 46 TYR CE2 C 13 118.73 0.05 . . . . . . . 46 TYR CE2 . 51902 1 572 . 1 . 1 46 46 TYR N N 15 119.78 0.05 . . . . . . . 46 TYR N . 51902 1 573 . 1 . 1 47 47 MET H H 1 8.313 0.02 . . . . . . . 47 MET H . 51902 1 574 . 1 . 1 47 47 MET HA H 1 4.857 0.02 . . . . . . . 47 MET HA . 51902 1 575 . 1 . 1 47 47 MET HB2 H 1 2.511 0.02 . . . . . . . 47 MET HB2 . 51902 1 576 . 1 . 1 47 47 MET HB3 H 1 2.234 0.02 . . . . . . . 47 MET HB3 . 51902 1 577 . 1 . 1 47 47 MET HG2 H 1 2.382 0.02 . . . . . . . 47 MET HG2 . 51902 1 578 . 1 . 1 47 47 MET HG3 H 1 2.519 0.02 . . . . . . . 47 MET HG3 . 51902 1 579 . 1 . 1 47 47 MET HE1 H 1 0.772 0.02 . . . . . . . 47 MET QE . 51902 1 580 . 1 . 1 47 47 MET HE2 H 1 0.772 0.02 . . . . . . . 47 MET QE . 51902 1 581 . 1 . 1 47 47 MET HE3 H 1 0.772 0.02 . . . . . . . 47 MET QE . 51902 1 582 . 1 . 1 47 47 MET C C 13 173.593 0.05 . . . . . . . 47 MET C . 51902 1 583 . 1 . 1 47 47 MET CA C 13 54.769 0.05 . . . . . . . 47 MET CA . 51902 1 584 . 1 . 1 47 47 MET CB C 13 36.02 0.05 . . . . . . . 47 MET CB . 51902 1 585 . 1 . 1 47 47 MET CG C 13 29.992 0.05 . . . . . . . 47 MET CG . 51902 1 586 . 1 . 1 47 47 MET CE C 13 14.349 0.05 . . . . . . . 47 MET CE . 51902 1 587 . 1 . 1 47 47 MET N N 15 113.527 0.05 . . . . . . . 47 MET N . 51902 1 588 . 1 . 1 48 48 THR H H 1 8.694 0.02 . . . . . . . 48 THR H . 51902 1 589 . 1 . 1 48 48 THR HA H 1 5.496 0.02 . . . . . . . 48 THR HA . 51902 1 590 . 1 . 1 48 48 THR HB H 1 4.091 0.02 . . . . . . . 48 THR HB . 51902 1 591 . 1 . 1 48 48 THR HG21 H 1 1.184 0.02 . . . . . . . 48 THR QG2 . 51902 1 592 . 1 . 1 48 48 THR HG22 H 1 1.184 0.02 . . . . . . . 48 THR QG2 . 51902 1 593 . 1 . 1 48 48 THR HG23 H 1 1.184 0.02 . . . . . . . 48 THR QG2 . 51902 1 594 . 1 . 1 48 48 THR C C 13 174.736 0.05 . . . . . . . 48 THR C . 51902 1 595 . 1 . 1 48 48 THR CA C 13 59.693 0.05 . . . . . . . 48 THR CA . 51902 1 596 . 1 . 1 48 48 THR CB C 13 71.073 0.05 . . . . . . . 48 THR CB . 51902 1 597 . 1 . 1 48 48 THR CG2 C 13 21.87 0.05 . . . . . . . 48 THR CG2 . 51902 1 598 . 1 . 1 48 48 THR N N 15 112.501 0.05 . . . . . . . 48 THR N . 51902 1 599 . 1 . 1 49 49 VAL H H 1 9.141 0.02 . . . . . . . 49 VAL H . 51902 1 600 . 1 . 1 49 49 VAL HA H 1 4.827 0.02 . . . . . . . 49 VAL HA . 51902 1 601 . 1 . 1 49 49 VAL HB H 1 1.885 0.02 . . . . . . . 49 VAL HB . 51902 1 602 . 1 . 1 49 49 VAL HG11 H 1 0.733 0.02 . . . . . . . 49 VAL QG1 . 51902 1 603 . 1 . 1 49 49 VAL HG12 H 1 0.733 0.02 . . . . . . . 49 VAL QG1 . 51902 1 604 . 1 . 1 49 49 VAL HG13 H 1 0.733 0.02 . . . . . . . 49 VAL QG1 . 51902 1 605 . 1 . 1 49 49 VAL HG21 H 1 0.806 0.02 . . . . . . . 49 VAL QG2 . 51902 1 606 . 1 . 1 49 49 VAL HG22 H 1 0.806 0.02 . . . . . . . 49 VAL QG2 . 51902 1 607 . 1 . 1 49 49 VAL HG23 H 1 0.806 0.02 . . . . . . . 49 VAL QG2 . 51902 1 608 . 1 . 1 49 49 VAL C C 13 174.709 0.05 . . . . . . . 49 VAL C . 51902 1 609 . 1 . 1 49 49 VAL CA C 13 60.608 0.05 . . . . . . . 49 VAL CA . 51902 1 610 . 1 . 1 49 49 VAL CB C 13 34.794 0.05 . . . . . . . 49 VAL CB . 51902 1 611 . 1 . 1 49 49 VAL CG1 C 13 21.754 0.05 . . . . . . . 49 VAL CG1 . 51902 1 612 . 1 . 1 49 49 VAL CG2 C 13 22.117 0.05 . . . . . . . 49 VAL CG2 . 51902 1 613 . 1 . 1 49 49 VAL N N 15 120.887 0.05 . . . . . . . 49 VAL N . 51902 1 614 . 1 . 1 50 50 ASP H H 1 8.679 0.02 . . . . . . . 50 ASP H . 51902 1 615 . 1 . 1 50 50 ASP HA H 1 4.883 0.02 . . . . . . . 50 ASP HA . 51902 1 616 . 1 . 1 50 50 ASP HB2 H 1 2.89 0.02 . . . . . . . 50 ASP HB2 . 51902 1 617 . 1 . 1 50 50 ASP HB3 H 1 2.47 0.02 . . . . . . . 50 ASP HB3 . 51902 1 618 . 1 . 1 50 50 ASP C C 13 174.106 0.05 . . . . . . . 50 ASP C . 51902 1 619 . 1 . 1 50 50 ASP CA C 13 52.68 0.05 . . . . . . . 50 ASP CA . 51902 1 620 . 1 . 1 50 50 ASP CB C 13 39.736 0.05 . . . . . . . 50 ASP CB . 51902 1 621 . 1 . 1 50 50 ASP N N 15 129.163 0.05 . . . . . . . 50 ASP N . 51902 1 622 . 1 . 1 51 51 GLU H H 1 7.545 0.02 . . . . . . . 51 GLU H . 51902 1 623 . 1 . 1 51 51 GLU HA H 1 4.516 0.02 . . . . . . . 51 GLU HA . 51902 1 624 . 1 . 1 51 51 GLU HB2 H 1 1.633 0.02 . . . . . . . 51 GLU HB2 . 51902 1 625 . 1 . 1 51 51 GLU HB3 H 1 1.81 0.02 . . . . . . . 51 GLU HB3 . 51902 1 626 . 1 . 1 51 51 GLU HG2 H 1 2.176 0.02 . . . . . . . 51 GLU HG2 . 51902 1 627 . 1 . 1 51 51 GLU HG3 H 1 2.017 0.02 . . . . . . . 51 GLU HG3 . 51902 1 628 . 1 . 1 51 51 GLU C C 13 174.474 0.05 . . . . . . . 51 GLU C . 51902 1 629 . 1 . 1 51 51 GLU CA C 13 55.208 0.05 . . . . . . . 51 GLU CA . 51902 1 630 . 1 . 1 51 51 GLU CB C 13 32.875 0.05 . . . . . . . 51 GLU CB . 51902 1 631 . 1 . 1 51 51 GLU CG C 13 36.973 0.05 . . . . . . . 51 GLU CG . 51902 1 632 . 1 . 1 51 51 GLU N N 15 122.021 0.05 . . . . . . . 51 GLU N . 51902 1 633 . 1 . 1 52 52 VAL H H 1 8.104 0.02 . . . . . . . 52 VAL H . 51902 1 634 . 1 . 1 52 52 VAL HA H 1 4.06 0.02 . . . . . . . 52 VAL HA . 51902 1 635 . 1 . 1 52 52 VAL HB H 1 2.106 0.02 . . . . . . . 52 VAL HB . 51902 1 636 . 1 . 1 52 52 VAL HG11 H 1 0.804 0.02 . . . . . . . 52 VAL QG1 . 51902 1 637 . 1 . 1 52 52 VAL HG12 H 1 0.804 0.02 . . . . . . . 52 VAL QG1 . 51902 1 638 . 1 . 1 52 52 VAL HG13 H 1 0.804 0.02 . . . . . . . 52 VAL QG1 . 51902 1 639 . 1 . 1 52 52 VAL HG21 H 1 0.93 0.02 . . . . . . . 52 VAL QG2 . 51902 1 640 . 1 . 1 52 52 VAL HG22 H 1 0.93 0.02 . . . . . . . 52 VAL QG2 . 51902 1 641 . 1 . 1 52 52 VAL HG23 H 1 0.93 0.02 . . . . . . . 52 VAL QG2 . 51902 1 642 . 1 . 1 52 52 VAL C C 13 176.901 0.05 . . . . . . . 52 VAL C . 51902 1 643 . 1 . 1 52 52 VAL CA C 13 63.261 0.05 . . . . . . . 52 VAL CA . 51902 1 644 . 1 . 1 52 52 VAL CB C 13 32.811 0.05 . . . . . . . 52 VAL CB . 51902 1 645 . 1 . 1 52 52 VAL CG1 C 13 21.98 0.05 . . . . . . . 52 VAL CG1 . 51902 1 646 . 1 . 1 52 52 VAL CG2 C 13 20.153 0.05 . . . . . . . 52 VAL CG2 . 51902 1 647 . 1 . 1 52 52 VAL N N 15 120.193 0.05 . . . . . . . 52 VAL N . 51902 1 648 . 1 . 1 53 53 SER H H 1 9.06 0.02 . . . . . . . 53 SER H . 51902 1 649 . 1 . 1 53 53 SER HA H 1 4.627 0.02 . . . . . . . 53 SER HA . 51902 1 650 . 1 . 1 53 53 SER HB2 H 1 4.033 0.02 . . . . . . . 53 SER HB2 . 51902 1 651 . 1 . 1 53 53 SER HB3 H 1 3.969 0.02 . . . . . . . 53 SER HB3 . 51902 1 652 . 1 . 1 53 53 SER C C 13 175.829 0.05 . . . . . . . 53 SER C . 51902 1 653 . 1 . 1 53 53 SER CA C 13 57.021 0.05 . . . . . . . 53 SER CA . 51902 1 654 . 1 . 1 53 53 SER CB C 13 63.211 0.05 . . . . . . . 53 SER CB . 51902 1 655 . 1 . 1 53 53 SER N N 15 117.032 0.05 . . . . . . . 53 SER N . 51902 1 656 . 1 . 1 54 54 ASP H H 1 9.008 0.02 . . . . . . . 54 ASP H . 51902 1 657 . 1 . 1 54 54 ASP HA H 1 4.285 0.02 . . . . . . . 54 ASP HA . 51902 1 658 . 1 . 1 54 54 ASP HB2 H 1 2.662 0.02 . . . . . . . 54 ASP HB2 . 51902 1 659 . 1 . 1 54 54 ASP HB3 H 1 2.623 0.02 . . . . . . . 54 ASP HB3 . 51902 1 660 . 1 . 1 54 54 ASP C C 13 178.552 0.05 . . . . . . . 54 ASP C . 51902 1 661 . 1 . 1 54 54 ASP CA C 13 57.942 0.05 . . . . . . . 54 ASP CA . 51902 1 662 . 1 . 1 54 54 ASP CB C 13 40.339 0.05 . . . . . . . 54 ASP CB . 51902 1 663 . 1 . 1 54 54 ASP N N 15 130.137 0.05 . . . . . . . 54 ASP N . 51902 1 664 . 1 . 1 55 55 GLU H H 1 8.505 0.02 . . . . . . . 55 GLU H . 51902 1 665 . 1 . 1 55 55 GLU HA H 1 4.115 0.02 . . . . . . . 55 GLU HA . 51902 1 666 . 1 . 1 55 55 GLU HB2 H 1 2.019 0.02 . . . . . . . 55 GLU HB2 . 51902 1 667 . 1 . 1 55 55 GLU HB3 H 1 1.913 0.02 . . . . . . . 55 GLU HB3 . 51902 1 668 . 1 . 1 55 55 GLU HG2 H 1 2.235 0.02 . . . . . . . 55 GLU HG2 . 51902 1 669 . 1 . 1 55 55 GLU HG3 H 1 2.286 0.02 . . . . . . . 55 GLU HG3 . 51902 1 670 . 1 . 1 55 55 GLU C C 13 178.916 0.05 . . . . . . . 55 GLU C . 51902 1 671 . 1 . 1 55 55 GLU CA C 13 59.534 0.05 . . . . . . . 55 GLU CA . 51902 1 672 . 1 . 1 55 55 GLU CB C 13 29.47 0.05 . . . . . . . 55 GLU CB . 51902 1 673 . 1 . 1 55 55 GLU CG C 13 36.187 0.05 . . . . . . . 55 GLU CG . 51902 1 674 . 1 . 1 55 55 GLU N N 15 120.984 0.05 . . . . . . . 55 GLU N . 51902 1 675 . 1 . 1 56 56 LYS H H 1 7.563 0.02 . . . . . . . 56 LYS H . 51902 1 676 . 1 . 1 56 56 LYS HA H 1 4.133 0.02 . . . . . . . 56 LYS HA . 51902 1 677 . 1 . 1 56 56 LYS HB2 H 1 1.863 0.02 . . . . . . . 56 LYS HB2 . 51902 1 678 . 1 . 1 56 56 LYS HB3 H 1 1.79 0.02 . . . . . . . 56 LYS HB3 . 51902 1 679 . 1 . 1 56 56 LYS HG2 H 1 1.404 0.02 . . . . . . . 56 LYS HG2 . 51902 1 680 . 1 . 1 56 56 LYS HG3 H 1 1.536 0.02 . . . . . . . 56 LYS HG3 . 51902 1 681 . 1 . 1 56 56 LYS HD2 H 1 1.684 0.02 . . . . . . . 56 LYS HD2 . 51902 1 682 . 1 . 1 56 56 LYS HD3 H 1 1.75 0.02 . . . . . . . 56 LYS HD3 . 51902 1 683 . 1 . 1 56 56 LYS HE2 H 1 2.943 0.02 . . . . . . . 56 LYS HE2 . 51902 1 684 . 1 . 1 56 56 LYS HE3 H 1 2.877 0.02 . . . . . . . 56 LYS HE3 . 51902 1 685 . 1 . 1 56 56 LYS C C 13 179.272 0.05 . . . . . . . 56 LYS C . 51902 1 686 . 1 . 1 56 56 LYS CA C 13 59.296 0.05 . . . . . . . 56 LYS CA . 51902 1 687 . 1 . 1 56 56 LYS CB C 13 32.269 0.05 . . . . . . . 56 LYS CB . 51902 1 688 . 1 . 1 56 56 LYS CG C 13 25.502 0.05 . . . . . . . 56 LYS CG . 51902 1 689 . 1 . 1 56 56 LYS CD C 13 28.718 0.05 . . . . . . . 56 LYS CD . 51902 1 690 . 1 . 1 56 56 LYS CE C 13 41.709 0.05 . . . . . . . 56 LYS CE . 51902 1 691 . 1 . 1 56 56 LYS N N 15 120.026 0.05 . . . . . . . 56 LYS N . 51902 1 692 . 1 . 1 57 57 VAL H H 1 8.154 0.02 . . . . . . . 57 VAL H . 51902 1 693 . 1 . 1 57 57 VAL HA H 1 3.254 0.02 . . . . . . . 57 VAL HA . 51902 1 694 . 1 . 1 57 57 VAL HB H 1 2.25 0.02 . . . . . . . 57 VAL HB . 51902 1 695 . 1 . 1 57 57 VAL HG11 H 1 0.919 0.02 . . . . . . . 57 VAL QG1 . 51902 1 696 . 1 . 1 57 57 VAL HG12 H 1 0.919 0.02 . . . . . . . 57 VAL QG1 . 51902 1 697 . 1 . 1 57 57 VAL HG13 H 1 0.919 0.02 . . . . . . . 57 VAL QG1 . 51902 1 698 . 1 . 1 57 57 VAL HG21 H 1 0.728 0.02 . . . . . . . 57 VAL QG2 . 51902 1 699 . 1 . 1 57 57 VAL HG22 H 1 0.728 0.02 . . . . . . . 57 VAL QG2 . 51902 1 700 . 1 . 1 57 57 VAL HG23 H 1 0.728 0.02 . . . . . . . 57 VAL QG2 . 51902 1 701 . 1 . 1 57 57 VAL C C 13 176.762 0.05 . . . . . . . 57 VAL C . 51902 1 702 . 1 . 1 57 57 VAL CA C 13 67.886 0.05 . . . . . . . 57 VAL CA . 51902 1 703 . 1 . 1 57 57 VAL CB C 13 31.213 0.05 . . . . . . . 57 VAL CB . 51902 1 704 . 1 . 1 57 57 VAL CG1 C 13 23.959 0.05 . . . . . . . 57 VAL CG1 . 51902 1 705 . 1 . 1 57 57 VAL CG2 C 13 21.664 0.05 . . . . . . . 57 VAL CG2 . 51902 1 706 . 1 . 1 57 57 VAL N N 15 119.649 0.05 . . . . . . . 57 VAL N . 51902 1 707 . 1 . 1 58 58 HIS H H 1 8.107 0.02 . . . . . . . 58 HIS H . 51902 1 708 . 1 . 1 58 58 HIS HA H 1 4.203 0.02 . . . . . . . 58 HIS HA . 51902 1 709 . 1 . 1 58 58 HIS HB2 H 1 3.194 0.02 . . . . . . . 58 HIS HB2 . 51902 1 710 . 1 . 1 58 58 HIS HB3 H 1 3.293 0.02 . . . . . . . 58 HIS HB3 . 51902 1 711 . 1 . 1 58 58 HIS HD2 H 1 7.161 0.02 . . . . . . . 58 HIS HD2 . 51902 1 712 . 1 . 1 58 58 HIS HE1 H 1 8.161 0.02 . . . . . . . 58 HIS HE1 . 51902 1 713 . 1 . 1 58 58 HIS C C 13 178.368 0.05 . . . . . . . 58 HIS C . 51902 1 714 . 1 . 1 58 58 HIS CA C 13 60.369 0.05 . . . . . . . 58 HIS CA . 51902 1 715 . 1 . 1 58 58 HIS CB C 13 30.076 0.05 . . . . . . . 58 HIS CB . 51902 1 716 . 1 . 1 58 58 HIS CD2 C 13 119.18 0.05 . . . . . . . 58 HIS CD2 . 51902 1 717 . 1 . 1 58 58 HIS CE1 C 13 137.631 0.05 . . . . . . . 58 HIS CE1 . 51902 1 718 . 1 . 1 58 58 HIS N N 15 117.798 0.05 . . . . . . . 58 HIS N . 51902 1 719 . 1 . 1 59 59 ASN H H 1 7.951 0.02 . . . . . . . 59 ASN H . 51902 1 720 . 1 . 1 59 59 ASN HA H 1 4.339 0.02 . . . . . . . 59 ASN HA . 51902 1 721 . 1 . 1 59 59 ASN HB2 H 1 2.887 0.02 . . . . . . . 59 ASN HB2 . 51902 1 722 . 1 . 1 59 59 ASN HB3 H 1 2.974 0.02 . . . . . . . 59 ASN HB3 . 51902 1 723 . 1 . 1 59 59 ASN HD21 H 1 7.676 0.02 . . . . . . . 59 ASN HD21 . 51902 1 724 . 1 . 1 59 59 ASN HD22 H 1 7.01 0.02 . . . . . . . 59 ASN HD22 . 51902 1 725 . 1 . 1 59 59 ASN C C 13 177.649 0.05 . . . . . . . 59 ASN C . 51902 1 726 . 1 . 1 59 59 ASN CA C 13 56.899 0.05 . . . . . . . 59 ASN CA . 51902 1 727 . 1 . 1 59 59 ASN CB C 13 38.858 0.05 . . . . . . . 59 ASN CB . 51902 1 728 . 1 . 1 59 59 ASN N N 15 119.081 0.05 . . . . . . . 59 ASN N . 51902 1 729 . 1 . 1 59 59 ASN ND2 N 15 112.012 0.05 . . . . . . . 59 ASN ND2 . 51902 1 730 . 1 . 1 60 60 ILE H H 1 8.411 0.02 . . . . . . . 60 ILE H . 51902 1 731 . 1 . 1 60 60 ILE HA H 1 3.351 0.02 . . . . . . . 60 ILE HA . 51902 1 732 . 1 . 1 60 60 ILE HB H 1 1.733 0.02 . . . . . . . 60 ILE HB . 51902 1 733 . 1 . 1 60 60 ILE HG12 H 1 0.977 0.02 . . . . . . . 60 ILE HG12 . 51902 1 734 . 1 . 1 60 60 ILE HG13 H 1 1.891 0.02 . . . . . . . 60 ILE HG13 . 51902 1 735 . 1 . 1 60 60 ILE HG21 H 1 0.454 0.02 . . . . . . . 60 ILE QG2 . 51902 1 736 . 1 . 1 60 60 ILE HG22 H 1 0.454 0.02 . . . . . . . 60 ILE QG2 . 51902 1 737 . 1 . 1 60 60 ILE HG23 H 1 0.454 0.02 . . . . . . . 60 ILE QG2 . 51902 1 738 . 1 . 1 60 60 ILE HD11 H 1 0.646 0.02 . . . . . . . 60 ILE QD1 . 51902 1 739 . 1 . 1 60 60 ILE HD12 H 1 0.646 0.02 . . . . . . . 60 ILE QD1 . 51902 1 740 . 1 . 1 60 60 ILE HD13 H 1 0.646 0.02 . . . . . . . 60 ILE QD1 . 51902 1 741 . 1 . 1 60 60 ILE C C 13 176.758 0.05 . . . . . . . 60 ILE C . 51902 1 742 . 1 . 1 60 60 ILE CA C 13 65.828 0.05 . . . . . . . 60 ILE CA . 51902 1 743 . 1 . 1 60 60 ILE CB C 13 38.768 0.05 . . . . . . . 60 ILE CB . 51902 1 744 . 1 . 1 60 60 ILE CG1 C 13 28.798 0.05 . . . . . . . 60 ILE CG1 . 51902 1 745 . 1 . 1 60 60 ILE CG2 C 13 16.835 0.05 . . . . . . . 60 ILE CG2 . 51902 1 746 . 1 . 1 60 60 ILE CD1 C 13 14.577 0.05 . . . . . . . 60 ILE CD1 . 51902 1 747 . 1 . 1 60 60 ILE N N 15 122.533 0.05 . . . . . . . 60 ILE N . 51902 1 748 . 1 . 1 61 61 ILE H H 1 8.335 0.02 . . . . . . . 61 ILE H . 51902 1 749 . 1 . 1 61 61 ILE HA H 1 3.377 0.02 . . . . . . . 61 ILE HA . 51902 1 750 . 1 . 1 61 61 ILE HB H 1 1.386 0.02 . . . . . . . 61 ILE HB . 51902 1 751 . 1 . 1 61 61 ILE HG12 H 1 1.323 0.02 . . . . . . . 61 ILE HG12 . 51902 1 752 . 1 . 1 61 61 ILE HG13 H 1 0.659 0.02 . . . . . . . 61 ILE HG13 . 51902 1 753 . 1 . 1 61 61 ILE HG21 H 1 0.163 0.02 . . . . . . . 61 ILE QG2 . 51902 1 754 . 1 . 1 61 61 ILE HG22 H 1 0.163 0.02 . . . . . . . 61 ILE QG2 . 51902 1 755 . 1 . 1 61 61 ILE HG23 H 1 0.163 0.02 . . . . . . . 61 ILE QG2 . 51902 1 756 . 1 . 1 61 61 ILE HD11 H 1 0.702 0.02 . . . . . . . 61 ILE QD1 . 51902 1 757 . 1 . 1 61 61 ILE HD12 H 1 0.702 0.02 . . . . . . . 61 ILE QD1 . 51902 1 758 . 1 . 1 61 61 ILE HD13 H 1 0.702 0.02 . . . . . . . 61 ILE QD1 . 51902 1 759 . 1 . 1 61 61 ILE C C 13 179.715 0.05 . . . . . . . 61 ILE C . 51902 1 760 . 1 . 1 61 61 ILE CA C 13 62.319 0.05 . . . . . . . 61 ILE CA . 51902 1 761 . 1 . 1 61 61 ILE CB C 13 35.324 0.05 . . . . . . . 61 ILE CB . 51902 1 762 . 1 . 1 61 61 ILE CG1 C 13 26.879 0.05 . . . . . . . 61 ILE CG1 . 51902 1 763 . 1 . 1 61 61 ILE CG2 C 13 17.603 0.05 . . . . . . . 61 ILE CG2 . 51902 1 764 . 1 . 1 61 61 ILE CD1 C 13 12.962 0.05 . . . . . . . 61 ILE CD1 . 51902 1 765 . 1 . 1 61 61 ILE N N 15 117.274 0.05 . . . . . . . 61 ILE N . 51902 1 766 . 1 . 1 62 62 THR H H 1 8.298 0.02 . . . . . . . 62 THR H . 51902 1 767 . 1 . 1 62 62 THR HA H 1 3.892 0.02 . . . . . . . 62 THR HA . 51902 1 768 . 1 . 1 62 62 THR HB H 1 4.367 0.02 . . . . . . . 62 THR HB . 51902 1 769 . 1 . 1 62 62 THR HG21 H 1 1.224 0.02 . . . . . . . 62 THR QG2 . 51902 1 770 . 1 . 1 62 62 THR HG22 H 1 1.224 0.02 . . . . . . . 62 THR QG2 . 51902 1 771 . 1 . 1 62 62 THR HG23 H 1 1.224 0.02 . . . . . . . 62 THR QG2 . 51902 1 772 . 1 . 1 62 62 THR C C 13 175.721 0.05 . . . . . . . 62 THR C . 51902 1 773 . 1 . 1 62 62 THR CA C 13 66.944 0.05 . . . . . . . 62 THR CA . 51902 1 774 . 1 . 1 62 62 THR CB C 13 68.678 0.05 . . . . . . . 62 THR CB . 51902 1 775 . 1 . 1 62 62 THR CG2 C 13 21.45 0.05 . . . . . . . 62 THR CG2 . 51902 1 776 . 1 . 1 62 62 THR N N 15 117.532 0.05 . . . . . . . 62 THR N . 51902 1 777 . 1 . 1 63 63 THR H H 1 7.708 0.02 . . . . . . . 63 THR H . 51902 1 778 . 1 . 1 63 63 THR HA H 1 3.764 0.02 . . . . . . . 63 THR HA . 51902 1 779 . 1 . 1 63 63 THR HB H 1 4.139 0.02 . . . . . . . 63 THR HB . 51902 1 780 . 1 . 1 63 63 THR HG21 H 1 1.212 0.02 . . . . . . . 63 THR QG2 . 51902 1 781 . 1 . 1 63 63 THR HG22 H 1 1.212 0.02 . . . . . . . 63 THR QG2 . 51902 1 782 . 1 . 1 63 63 THR HG23 H 1 1.212 0.02 . . . . . . . 63 THR QG2 . 51902 1 783 . 1 . 1 63 63 THR C C 13 176.462 0.05 . . . . . . . 63 THR C . 51902 1 784 . 1 . 1 63 63 THR CA C 13 67.135 0.05 . . . . . . . 63 THR CA . 51902 1 785 . 1 . 1 63 63 THR CB C 13 68.702 0.05 . . . . . . . 63 THR CB . 51902 1 786 . 1 . 1 63 63 THR CG2 C 13 20.849 0.05 . . . . . . . 63 THR CG2 . 51902 1 787 . 1 . 1 63 63 THR N N 15 117.84 0.05 . . . . . . . 63 THR N . 51902 1 788 . 1 . 1 64 64 LEU H H 1 8.131 0.02 . . . . . . . 64 LEU H . 51902 1 789 . 1 . 1 64 64 LEU HA H 1 3.378 0.02 . . . . . . . 64 LEU HA . 51902 1 790 . 1 . 1 64 64 LEU HB2 H 1 1.301 0.02 . . . . . . . 64 LEU HB2 . 51902 1 791 . 1 . 1 64 64 LEU HB3 H 1 0.319 0.02 . . . . . . . 64 LEU HB3 . 51902 1 792 . 1 . 1 64 64 LEU HG H 1 1.159 0.02 . . . . . . . 64 LEU HG . 51902 1 793 . 1 . 1 64 64 LEU HD11 H 1 0.379 0.02 . . . . . . . 64 LEU QD1 . 51902 1 794 . 1 . 1 64 64 LEU HD12 H 1 0.379 0.02 . . . . . . . 64 LEU QD1 . 51902 1 795 . 1 . 1 64 64 LEU HD13 H 1 0.379 0.02 . . . . . . . 64 LEU QD1 . 51902 1 796 . 1 . 1 64 64 LEU HD21 H 1 0.253 0.02 . . . . . . . 64 LEU QD2 . 51902 1 797 . 1 . 1 64 64 LEU HD22 H 1 0.253 0.02 . . . . . . . 64 LEU QD2 . 51902 1 798 . 1 . 1 64 64 LEU HD23 H 1 0.253 0.02 . . . . . . . 64 LEU QD2 . 51902 1 799 . 1 . 1 64 64 LEU C C 13 179.74 0.05 . . . . . . . 64 LEU C . 51902 1 800 . 1 . 1 64 64 LEU CA C 13 57.224 0.05 . . . . . . . 64 LEU CA . 51902 1 801 . 1 . 1 64 64 LEU CB C 13 42.51 0.05 . . . . . . . 64 LEU CB . 51902 1 802 . 1 . 1 64 64 LEU CG C 13 26.299 0.05 . . . . . . . 64 LEU CG . 51902 1 803 . 1 . 1 64 64 LEU CD1 C 13 26.335 0.05 . . . . . . . 64 LEU CD1 . 51902 1 804 . 1 . 1 64 64 LEU CD2 C 13 22.638 0.05 . . . . . . . 64 LEU CD2 . 51902 1 805 . 1 . 1 64 64 LEU N N 15 118.242 0.05 . . . . . . . 64 LEU N . 51902 1 806 . 1 . 1 65 65 SER H H 1 8.199 0.02 . . . . . . . 65 SER H . 51902 1 807 . 1 . 1 65 65 SER HA H 1 3.833 0.02 . . . . . . . 65 SER HA . 51902 1 808 . 1 . 1 65 65 SER HB2 H 1 3.103 0.02 . . . . . . . 65 SER HB2 . 51902 1 809 . 1 . 1 65 65 SER HB3 H 1 2.232 0.02 . . . . . . . 65 SER HB3 . 51902 1 810 . 1 . 1 65 65 SER C C 13 173.386 0.05 . . . . . . . 65 SER C . 51902 1 811 . 1 . 1 65 65 SER CA C 13 64.301 0.05 . . . . . . . 65 SER CA . 51902 1 812 . 1 . 1 65 65 SER CB C 13 61.363 0.05 . . . . . . . 65 SER CB . 51902 1 813 . 1 . 1 65 65 SER N N 15 118.665 0.05 . . . . . . . 65 SER N . 51902 1 814 . 1 . 1 66 66 GLU H H 1 7.423 0.02 . . . . . . . 66 GLU H . 51902 1 815 . 1 . 1 66 66 GLU HA H 1 3.872 0.02 . . . . . . . 66 GLU HA . 51902 1 816 . 1 . 1 66 66 GLU HB2 H 1 2.012 0.02 . . . . . . . 66 GLU HB2 . 51902 1 817 . 1 . 1 66 66 GLU HB3 H 1 2.027 0.02 . . . . . . . 66 GLU HB3 . 51902 1 818 . 1 . 1 66 66 GLU HG2 H 1 2.491 0.02 . . . . . . . 66 GLU HG2 . 51902 1 819 . 1 . 1 66 66 GLU HG3 H 1 2.302 0.02 . . . . . . . 66 GLU HG3 . 51902 1 820 . 1 . 1 66 66 GLU C C 13 178.517 0.05 . . . . . . . 66 GLU C . 51902 1 821 . 1 . 1 66 66 GLU CA C 13 58.526 0.05 . . . . . . . 66 GLU CA . 51902 1 822 . 1 . 1 66 66 GLU CB C 13 29.439 0.05 . . . . . . . 66 GLU CB . 51902 1 823 . 1 . 1 66 66 GLU CG C 13 36.634 0.05 . . . . . . . 66 GLU CG . 51902 1 824 . 1 . 1 66 66 GLU N N 15 115.855 0.05 . . . . . . . 66 GLU N . 51902 1 825 . 1 . 1 67 67 LYS H H 1 7.902 0.02 . . . . . . . 67 LYS H . 51902 1 826 . 1 . 1 67 67 LYS HA H 1 4.292 0.02 . . . . . . . 67 LYS HA . 51902 1 827 . 1 . 1 67 67 LYS HB2 H 1 1.619 0.02 . . . . . . . 67 LYS HB2 . 51902 1 828 . 1 . 1 67 67 LYS HB3 H 1 2.003 0.02 . . . . . . . 67 LYS HB3 . 51902 1 829 . 1 . 1 67 67 LYS HG2 H 1 1.42 0.02 . . . . . . . 67 LYS HG2 . 51902 1 830 . 1 . 1 67 67 LYS HG3 H 1 1.499 0.02 . . . . . . . 67 LYS HG3 . 51902 1 831 . 1 . 1 67 67 LYS HD2 H 1 1.414 0.02 . . . . . . . 67 LYS HD2 . 51902 1 832 . 1 . 1 67 67 LYS HD3 H 1 1.581 0.02 . . . . . . . 67 LYS HD3 . 51902 1 833 . 1 . 1 67 67 LYS HE2 H 1 2.925 0.02 . . . . . . . 67 LYS HE2 . 51902 1 834 . 1 . 1 67 67 LYS HE3 H 1 2.935 0.02 . . . . . . . 67 LYS HE3 . 51902 1 835 . 1 . 1 67 67 LYS C C 13 176.579 0.05 . . . . . . . 67 LYS C . 51902 1 836 . 1 . 1 67 67 LYS CA C 13 57.225 0.05 . . . . . . . 67 LYS CA . 51902 1 837 . 1 . 1 67 67 LYS CB C 13 33.798 0.05 . . . . . . . 67 LYS CB . 51902 1 838 . 1 . 1 67 67 LYS CG C 13 25.227 0.05 . . . . . . . 67 LYS CG . 51902 1 839 . 1 . 1 67 67 LYS CD C 13 28.683 0.05 . . . . . . . 67 LYS CD . 51902 1 840 . 1 . 1 67 67 LYS CE C 13 41.841 0.05 . . . . . . . 67 LYS CE . 51902 1 841 . 1 . 1 67 67 LYS N N 15 114.18 0.05 . . . . . . . 67 LYS N . 51902 1 842 . 1 . 1 68 68 LEU H H 1 7.685 0.02 . . . . . . . 68 LEU H . 51902 1 843 . 1 . 1 68 68 LEU HA H 1 4.539 0.02 . . . . . . . 68 LEU HA . 51902 1 844 . 1 . 1 68 68 LEU HB2 H 1 0.887 0.02 . . . . . . . 68 LEU HB2 . 51902 1 845 . 1 . 1 68 68 LEU HB3 H 1 1.126 0.02 . . . . . . . 68 LEU HB3 . 51902 1 846 . 1 . 1 68 68 LEU HG H 1 1.019 0.02 . . . . . . . 68 LEU HG . 51902 1 847 . 1 . 1 68 68 LEU HD11 H 1 0.7 0.02 . . . . . . . 68 LEU QD1 . 51902 1 848 . 1 . 1 68 68 LEU HD12 H 1 0.7 0.02 . . . . . . . 68 LEU QD1 . 51902 1 849 . 1 . 1 68 68 LEU HD13 H 1 0.7 0.02 . . . . . . . 68 LEU QD1 . 51902 1 850 . 1 . 1 68 68 LEU HD21 H 1 0.533 0.02 . . . . . . . 68 LEU QD2 . 51902 1 851 . 1 . 1 68 68 LEU HD22 H 1 0.533 0.02 . . . . . . . 68 LEU QD2 . 51902 1 852 . 1 . 1 68 68 LEU HD23 H 1 0.533 0.02 . . . . . . . 68 LEU QD2 . 51902 1 853 . 1 . 1 68 68 LEU C C 13 177.051 0.05 . . . . . . . 68 LEU C . 51902 1 854 . 1 . 1 68 68 LEU CA C 13 56.34 0.05 . . . . . . . 68 LEU CA . 51902 1 855 . 1 . 1 68 68 LEU CB C 13 45.807 0.05 . . . . . . . 68 LEU CB . 51902 1 856 . 1 . 1 68 68 LEU CG C 13 26.941 0.05 . . . . . . . 68 LEU CG . 51902 1 857 . 1 . 1 68 68 LEU CD1 C 13 23.613 0.05 . . . . . . . 68 LEU CD1 . 51902 1 858 . 1 . 1 68 68 LEU CD2 C 13 26.266 0.05 . . . . . . . 68 LEU CD2 . 51902 1 859 . 1 . 1 68 68 LEU N N 15 117.88 0.05 . . . . . . . 68 LEU N . 51902 1 860 . 1 . 1 69 69 PHE H H 1 7.858 0.02 . . . . . . . 69 PHE H . 51902 1 861 . 1 . 1 69 69 PHE HA H 1 4.529 0.02 . . . . . . . 69 PHE HA . 51902 1 862 . 1 . 1 69 69 PHE HB2 H 1 2.669 0.02 . . . . . . . 69 PHE HB2 . 51902 1 863 . 1 . 1 69 69 PHE HB3 H 1 3.069 0.02 . . . . . . . 69 PHE HB3 . 51902 1 864 . 1 . 1 69 69 PHE HD1 H 1 6.87 0.02 . . . . . . . 69 PHE QD . 51902 1 865 . 1 . 1 69 69 PHE HD2 H 1 6.87 0.02 . . . . . . . 69 PHE QD . 51902 1 866 . 1 . 1 69 69 PHE HE1 H 1 6.805 0.02 . . . . . . . 69 PHE QE . 51902 1 867 . 1 . 1 69 69 PHE HE2 H 1 6.805 0.02 . . . . . . . 69 PHE QE . 51902 1 868 . 1 . 1 69 69 PHE HZ H 1 6.821 0.02 . . . . . . . 69 PHE HZ . 51902 1 869 . 1 . 1 69 69 PHE C C 13 174.989 0.05 . . . . . . . 69 PHE C . 51902 1 870 . 1 . 1 69 69 PHE CA C 13 57.807 0.05 . . . . . . . 69 PHE CA . 51902 1 871 . 1 . 1 69 69 PHE CB C 13 39.313 0.05 . . . . . . . 69 PHE CB . 51902 1 872 . 1 . 1 69 69 PHE CD1 C 13 130.739 0.05 . . . . . . . 69 PHE CD1 . 51902 1 873 . 1 . 1 69 69 PHE CD2 C 13 130.739 0.05 . . . . . . . 69 PHE CD2 . 51902 1 874 . 1 . 1 69 69 PHE CE1 C 13 130.512 0.05 . . . . . . . 69 PHE CE1 . 51902 1 875 . 1 . 1 69 69 PHE CE2 C 13 130.512 0.05 . . . . . . . 69 PHE CE2 . 51902 1 876 . 1 . 1 69 69 PHE CZ C 13 129.13 0.05 . . . . . . . 69 PHE CZ . 51902 1 877 . 1 . 1 69 69 PHE N N 15 115.345 0.05 . . . . . . . 69 PHE N . 51902 1 878 . 1 . 1 70 70 ALA H H 1 8.678 0.02 . . . . . . . 70 ALA H . 51902 1 879 . 1 . 1 70 70 ALA HA H 1 4.691 0.02 . . . . . . . 70 ALA HA . 51902 1 880 . 1 . 1 70 70 ALA HB1 H 1 1.082 0.02 . . . . . . . 70 ALA QB . 51902 1 881 . 1 . 1 70 70 ALA HB2 H 1 1.082 0.02 . . . . . . . 70 ALA QB . 51902 1 882 . 1 . 1 70 70 ALA HB3 H 1 1.082 0.02 . . . . . . . 70 ALA QB . 51902 1 883 . 1 . 1 70 70 ALA C C 13 174.994 0.05 . . . . . . . 70 ALA C . 51902 1 884 . 1 . 1 70 70 ALA CA C 13 49.895 0.05 . . . . . . . 70 ALA CA . 51902 1 885 . 1 . 1 70 70 ALA CB C 13 21.799 0.05 . . . . . . . 70 ALA CB . 51902 1 886 . 1 . 1 70 70 ALA N N 15 119.448 0.05 . . . . . . . 70 ALA N . 51902 1 887 . 1 . 1 71 71 ASN H H 1 9.468 0.02 . . . . . . . 71 ASN H . 51902 1 888 . 1 . 1 71 71 ASN HA H 1 4.685 0.02 . . . . . . . 71 ASN HA . 51902 1 889 . 1 . 1 71 71 ASN HB2 H 1 2.297 0.02 . . . . . . . 71 ASN HB2 . 51902 1 890 . 1 . 1 71 71 ASN HB3 H 1 2.514 0.02 . . . . . . . 71 ASN HB3 . 51902 1 891 . 1 . 1 71 71 ASN HD21 H 1 7.593 0.02 . . . . . . . 71 ASN HD21 . 51902 1 892 . 1 . 1 71 71 ASN HD22 H 1 6.953 0.02 . . . . . . . 71 ASN HD22 . 51902 1 893 . 1 . 1 71 71 ASN C C 13 177.598 0.05 . . . . . . . 71 ASN C . 51902 1 894 . 1 . 1 71 71 ASN CA C 13 51.026 0.05 . . . . . . . 71 ASN CA . 51902 1 895 . 1 . 1 71 71 ASN CB C 13 37.252 0.05 . . . . . . . 71 ASN CB . 51902 1 896 . 1 . 1 71 71 ASN N N 15 118.849 0.05 . . . . . . . 71 ASN N . 51902 1 897 . 1 . 1 71 71 ASN ND2 N 15 111.317 0.05 . . . . . . . 71 ASN ND2 . 51902 1 898 . 1 . 1 72 72 THR H H 1 8.813 0.02 . . . . . . . 72 THR H . 51902 1 899 . 1 . 1 72 72 THR HA H 1 4.351 0.02 . . . . . . . 72 THR HA . 51902 1 900 . 1 . 1 72 72 THR HB H 1 3.995 0.02 . . . . . . . 72 THR HB . 51902 1 901 . 1 . 1 72 72 THR HG21 H 1 1.083 0.02 . . . . . . . 72 THR QG2 . 51902 1 902 . 1 . 1 72 72 THR HG22 H 1 1.083 0.02 . . . . . . . 72 THR QG2 . 51902 1 903 . 1 . 1 72 72 THR HG23 H 1 1.083 0.02 . . . . . . . 72 THR QG2 . 51902 1 904 . 1 . 1 72 72 THR CA C 13 64.434 0.05 . . . . . . . 72 THR CA . 51902 1 905 . 1 . 1 72 72 THR CB C 13 68.416 0.05 . . . . . . . 72 THR CB . 51902 1 906 . 1 . 1 72 72 THR CG2 C 13 20.701 0.05 . . . . . . . 72 THR CG2 . 51902 1 907 . 1 . 1 72 72 THR N N 15 114.493 0.05 . . . . . . . 72 THR N . 51902 1 908 . 1 . 1 73 73 VAL HA H 1 3.917 0.02 . . . . . . . 73 VAL HA . 51902 1 909 . 1 . 1 73 73 VAL HB H 1 2.102 0.02 . . . . . . . 73 VAL HB . 51902 1 910 . 1 . 1 73 73 VAL HG11 H 1 0.918 0.02 . . . . . . . 73 VAL QQG . 51902 1 911 . 1 . 1 73 73 VAL HG12 H 1 0.918 0.02 . . . . . . . 73 VAL QQG . 51902 1 912 . 1 . 1 73 73 VAL HG13 H 1 0.918 0.02 . . . . . . . 73 VAL QQG . 51902 1 913 . 1 . 1 73 73 VAL HG21 H 1 0.918 0.02 . . . . . . . 73 VAL QQG . 51902 1 914 . 1 . 1 73 73 VAL HG22 H 1 0.918 0.02 . . . . . . . 73 VAL QQG . 51902 1 915 . 1 . 1 73 73 VAL HG23 H 1 0.918 0.02 . . . . . . . 73 VAL QQG . 51902 1 916 . 1 . 1 73 73 VAL C C 13 177.28 0.05 . . . . . . . 73 VAL C . 51902 1 917 . 1 . 1 73 73 VAL CA C 13 65.484 0.05 . . . . . . . 73 VAL CA . 51902 1 918 . 1 . 1 73 73 VAL CB C 13 32.713 0.05 . . . . . . . 73 VAL CB . 51902 1 919 . 1 . 1 73 73 VAL CG1 C 13 21.054 0.05 . . . . . . . 73 VAL CG1 . 51902 1 920 . 1 . 1 73 73 VAL CG2 C 13 21.054 0.05 . . . . . . . 73 VAL CG2 . 51902 1 921 . 1 . 1 74 74 ILE H H 1 6.95 0.02 . . . . . . . 74 ILE H . 51902 1 922 . 1 . 1 74 74 ILE HA H 1 4.493 0.02 . . . . . . . 74 ILE HA . 51902 1 923 . 1 . 1 74 74 ILE HB H 1 2.094 0.02 . . . . . . . 74 ILE HB . 51902 1 924 . 1 . 1 74 74 ILE HG12 H 1 1.545 0.02 . . . . . . . 74 ILE HG12 . 51902 1 925 . 1 . 1 74 74 ILE HG13 H 1 1.901 0.02 . . . . . . . 74 ILE HG13 . 51902 1 926 . 1 . 1 74 74 ILE HG21 H 1 0.867 0.02 . . . . . . . 74 ILE QG2 . 51902 1 927 . 1 . 1 74 74 ILE HG22 H 1 0.867 0.02 . . . . . . . 74 ILE QG2 . 51902 1 928 . 1 . 1 74 74 ILE HG23 H 1 0.867 0.02 . . . . . . . 74 ILE QG2 . 51902 1 929 . 1 . 1 74 74 ILE HD11 H 1 0.939 0.02 . . . . . . . 74 ILE QD1 . 51902 1 930 . 1 . 1 74 74 ILE HD12 H 1 0.939 0.02 . . . . . . . 74 ILE QD1 . 51902 1 931 . 1 . 1 74 74 ILE HD13 H 1 0.939 0.02 . . . . . . . 74 ILE QD1 . 51902 1 932 . 1 . 1 74 74 ILE C C 13 174.691 0.05 . . . . . . . 74 ILE C . 51902 1 933 . 1 . 1 74 74 ILE CA C 13 61.588 0.05 . . . . . . . 74 ILE CA . 51902 1 934 . 1 . 1 74 74 ILE CB C 13 41.439 0.05 . . . . . . . 74 ILE CB . 51902 1 935 . 1 . 1 74 74 ILE CG1 C 13 26.056 0.05 . . . . . . . 74 ILE CG1 . 51902 1 936 . 1 . 1 74 74 ILE CG2 C 13 13.669 0.05 . . . . . . . 74 ILE CG2 . 51902 1 937 . 1 . 1 74 74 ILE CD1 C 13 18.64 0.05 . . . . . . . 74 ILE CD1 . 51902 1 938 . 1 . 1 74 74 ILE N N 15 107.592 0.05 . . . . . . . 74 ILE N . 51902 1 939 . 1 . 1 75 75 GLU H H 1 8.65 0.02 . . . . . . . 75 GLU H . 51902 1 940 . 1 . 1 75 75 GLU HA H 1 4.309 0.02 . . . . . . . 75 GLU HA . 51902 1 941 . 1 . 1 75 75 GLU HB2 H 1 2.351 0.02 . . . . . . . 75 GLU HB2 . 51902 1 942 . 1 . 1 75 75 GLU HB3 H 1 2.538 0.02 . . . . . . . 75 GLU HB3 . 51902 1 943 . 1 . 1 75 75 GLU HG2 H 1 2.881 0.02 . . . . . . . 75 GLU HG2 . 51902 1 944 . 1 . 1 75 75 GLU HG3 H 1 2.969 0.02 . . . . . . . 75 GLU HG3 . 51902 1 945 . 1 . 1 75 75 GLU C C 13 176.304 0.05 . . . . . . . 75 GLU C . 51902 1 946 . 1 . 1 75 75 GLU CA C 13 55.34 0.05 . . . . . . . 75 GLU CA . 51902 1 947 . 1 . 1 75 75 GLU CB C 13 33.97 0.05 . . . . . . . 75 GLU CB . 51902 1 948 . 1 . 1 75 75 GLU CG C 13 38.77 0.05 . . . . . . . 75 GLU CG . 51902 1 949 . 1 . 1 75 75 GLU N N 15 120.299 0.05 . . . . . . . 75 GLU N . 51902 1 950 . 1 . 1 76 76 GLU H H 1 9.581 0.02 . . . . . . . 76 GLU H . 51902 1 951 . 1 . 1 76 76 GLU HA H 1 4.637 0.02 . . . . . . . 76 GLU HA . 51902 1 952 . 1 . 1 76 76 GLU HB2 H 1 1.878 0.02 . . . . . . . 76 GLU QB . 51902 1 953 . 1 . 1 76 76 GLU HB3 H 1 1.878 0.02 . . . . . . . 76 GLU QB . 51902 1 954 . 1 . 1 76 76 GLU HG2 H 1 1.89 0.02 . . . . . . . 76 GLU QG . 51902 1 955 . 1 . 1 76 76 GLU HG3 H 1 1.89 0.02 . . . . . . . 76 GLU QG . 51902 1 956 . 1 . 1 76 76 GLU C C 13 173.165 0.05 . . . . . . . 76 GLU C . 51902 1 957 . 1 . 1 76 76 GLU CA C 13 54.246 0.05 . . . . . . . 76 GLU CA . 51902 1 958 . 1 . 1 76 76 GLU CB C 13 32.843 0.05 . . . . . . . 76 GLU CB . 51902 1 959 . 1 . 1 76 76 GLU CG C 13 34.847 0.05 . . . . . . . 76 GLU CG . 51902 1 960 . 1 . 1 76 76 GLU N N 15 119.216 0.05 . . . . . . . 76 GLU N . 51902 1 961 . 1 . 1 77 77 TYR H H 1 7.969 0.02 . . . . . . . 77 TYR H . 51902 1 962 . 1 . 1 77 77 TYR HA H 1 6.09 0.02 . . . . . . . 77 TYR HA . 51902 1 963 . 1 . 1 77 77 TYR HB2 H 1 2.607 0.02 . . . . . . . 77 TYR HB2 . 51902 1 964 . 1 . 1 77 77 TYR HB3 H 1 3.042 0.02 . . . . . . . 77 TYR HB3 . 51902 1 965 . 1 . 1 77 77 TYR HD1 H 1 6.628 0.02 . . . . . . . 77 TYR QD . 51902 1 966 . 1 . 1 77 77 TYR HD2 H 1 6.628 0.02 . . . . . . . 77 TYR QD . 51902 1 967 . 1 . 1 77 77 TYR HE1 H 1 6.538 0.02 . . . . . . . 77 TYR QE . 51902 1 968 . 1 . 1 77 77 TYR HE2 H 1 6.538 0.02 . . . . . . . 77 TYR QE . 51902 1 969 . 1 . 1 77 77 TYR C C 13 174.08 0.05 . . . . . . . 77 TYR C . 51902 1 970 . 1 . 1 77 77 TYR CA C 13 55.254 0.05 . . . . . . . 77 TYR CA . 51902 1 971 . 1 . 1 77 77 TYR CB C 13 42.809 0.05 . . . . . . . 77 TYR CB . 51902 1 972 . 1 . 1 77 77 TYR CD1 C 13 133.15 0.05 . . . . . . . 77 TYR CD1 . 51902 1 973 . 1 . 1 77 77 TYR CD2 C 13 133.15 0.05 . . . . . . . 77 TYR CD2 . 51902 1 974 . 1 . 1 77 77 TYR CE1 C 13 118.731 0.05 . . . . . . . 77 TYR CE1 . 51902 1 975 . 1 . 1 77 77 TYR CE2 C 13 118.731 0.05 . . . . . . . 77 TYR CE2 . 51902 1 976 . 1 . 1 77 77 TYR N N 15 114.805 0.05 . . . . . . . 77 TYR N . 51902 1 977 . 1 . 1 78 78 SER H H 1 8.764 0.02 . . . . . . . 78 SER H . 51902 1 978 . 1 . 1 78 78 SER HA H 1 4.635 0.02 . . . . . . . 78 SER HA . 51902 1 979 . 1 . 1 78 78 SER HB2 H 1 3.785 0.02 . . . . . . . 78 SER QB . 51902 1 980 . 1 . 1 78 78 SER HB3 H 1 3.785 0.02 . . . . . . . 78 SER QB . 51902 1 981 . 1 . 1 78 78 SER C C 13 172.228 0.05 . . . . . . . 78 SER C . 51902 1 982 . 1 . 1 78 78 SER CA C 13 57.38 0.05 . . . . . . . 78 SER CA . 51902 1 983 . 1 . 1 78 78 SER CB C 13 65.216 0.05 . . . . . . . 78 SER CB . 51902 1 984 . 1 . 1 78 78 SER N N 15 113.746 0.05 . . . . . . . 78 SER N . 51902 1 985 . 1 . 1 79 79 TYR H H 1 8.847 0.02 . . . . . . . 79 TYR H . 51902 1 986 . 1 . 1 79 79 TYR HA H 1 5.965 0.02 . . . . . . . 79 TYR HA . 51902 1 987 . 1 . 1 79 79 TYR HB2 H 1 2.872 0.02 . . . . . . . 79 TYR HB2 . 51902 1 988 . 1 . 1 79 79 TYR HB3 H 1 2.838 0.02 . . . . . . . 79 TYR HB3 . 51902 1 989 . 1 . 1 79 79 TYR HD1 H 1 6.754 0.02 . . . . . . . 79 TYR QD . 51902 1 990 . 1 . 1 79 79 TYR HD2 H 1 6.754 0.02 . . . . . . . 79 TYR QD . 51902 1 991 . 1 . 1 79 79 TYR HE1 H 1 6.752 0.02 . . . . . . . 79 TYR QE . 51902 1 992 . 1 . 1 79 79 TYR HE2 H 1 6.752 0.02 . . . . . . . 79 TYR QE . 51902 1 993 . 1 . 1 79 79 TYR C C 13 172.854 0.05 . . . . . . . 79 TYR C . 51902 1 994 . 1 . 1 79 79 TYR CA C 13 55.724 0.05 . . . . . . . 79 TYR CA . 51902 1 995 . 1 . 1 79 79 TYR CB C 13 43.292 0.05 . . . . . . . 79 TYR CB . 51902 1 996 . 1 . 1 79 79 TYR CD1 C 13 133.052 0.05 . . . . . . . 79 TYR CD1 . 51902 1 997 . 1 . 1 79 79 TYR CD2 C 13 133.052 0.05 . . . . . . . 79 TYR CD2 . 51902 1 998 . 1 . 1 79 79 TYR CE1 C 13 117.65 0.05 . . . . . . . 79 TYR CE1 . 51902 1 999 . 1 . 1 79 79 TYR CE2 C 13 117.65 0.05 . . . . . . . 79 TYR CE2 . 51902 1 1000 . 1 . 1 79 79 TYR N N 15 119.827 0.05 . . . . . . . 79 TYR N . 51902 1 1001 . 1 . 1 80 80 LYS H H 1 8.607 0.02 . . . . . . . 80 LYS H . 51902 1 1002 . 1 . 1 80 80 LYS HA H 1 4.476 0.02 . . . . . . . 80 LYS HA . 51902 1 1003 . 1 . 1 80 80 LYS HB2 H 1 1.628 0.02 . . . . . . . 80 LYS HB2 . 51902 1 1004 . 1 . 1 80 80 LYS HB3 H 1 1.736 0.02 . . . . . . . 80 LYS HB3 . 51902 1 1005 . 1 . 1 80 80 LYS HG2 H 1 1.267 0.02 . . . . . . . 80 LYS HG2 . 51902 1 1006 . 1 . 1 80 80 LYS HG3 H 1 1.363 0.02 . . . . . . . 80 LYS HG3 . 51902 1 1007 . 1 . 1 80 80 LYS HD2 H 1 1.611 0.02 . . . . . . . 80 LYS HD2 . 51902 1 1008 . 1 . 1 80 80 LYS HD3 H 1 1.753 0.02 . . . . . . . 80 LYS HD3 . 51902 1 1009 . 1 . 1 80 80 LYS HE2 H 1 2.883 0.02 . . . . . . . 80 LYS QE . 51902 1 1010 . 1 . 1 80 80 LYS HE3 H 1 2.883 0.02 . . . . . . . 80 LYS QE . 51902 1 1011 . 1 . 1 80 80 LYS C C 13 174.508 0.05 . . . . . . . 80 LYS C . 51902 1 1012 . 1 . 1 80 80 LYS CA C 13 54.689 0.05 . . . . . . . 80 LYS CA . 51902 1 1013 . 1 . 1 80 80 LYS CB C 13 36.594 0.05 . . . . . . . 80 LYS CB . 51902 1 1014 . 1 . 1 80 80 LYS CG C 13 24.251 0.05 . . . . . . . 80 LYS CG . 51902 1 1015 . 1 . 1 80 80 LYS CD C 13 29.069 0.05 . . . . . . . 80 LYS CD . 51902 1 1016 . 1 . 1 80 80 LYS CE C 13 41.623 0.05 . . . . . . . 80 LYS CE . 51902 1 1017 . 1 . 1 80 80 LYS N N 15 118.806 0.05 . . . . . . . 80 LYS N . 51902 1 1018 . 1 . 1 81 81 VAL H H 1 8.717 0.02 . . . . . . . 81 VAL H . 51902 1 1019 . 1 . 1 81 81 VAL HA H 1 4.472 0.02 . . . . . . . 81 VAL HA . 51902 1 1020 . 1 . 1 81 81 VAL HB H 1 2.076 0.02 . . . . . . . 81 VAL HB . 51902 1 1021 . 1 . 1 81 81 VAL HG11 H 1 1.015 0.02 . . . . . . . 81 VAL QG1 . 51902 1 1022 . 1 . 1 81 81 VAL HG12 H 1 1.015 0.02 . . . . . . . 81 VAL QG1 . 51902 1 1023 . 1 . 1 81 81 VAL HG13 H 1 1.015 0.02 . . . . . . . 81 VAL QG1 . 51902 1 1024 . 1 . 1 81 81 VAL HG21 H 1 1.037 0.02 . . . . . . . 81 VAL QG2 . 51902 1 1025 . 1 . 1 81 81 VAL HG22 H 1 1.037 0.02 . . . . . . . 81 VAL QG2 . 51902 1 1026 . 1 . 1 81 81 VAL HG23 H 1 1.037 0.02 . . . . . . . 81 VAL QG2 . 51902 1 1027 . 1 . 1 81 81 VAL C C 13 176.523 0.05 . . . . . . . 81 VAL C . 51902 1 1028 . 1 . 1 81 81 VAL CA C 13 61.958 0.05 . . . . . . . 81 VAL CA . 51902 1 1029 . 1 . 1 81 81 VAL CB C 13 32.001 0.05 . . . . . . . 81 VAL CB . 51902 1 1030 . 1 . 1 81 81 VAL CG1 C 13 21.71 0.05 . . . . . . . 81 VAL CG1 . 51902 1 1031 . 1 . 1 81 81 VAL CG2 C 13 21.167 0.05 . . . . . . . 81 VAL CG2 . 51902 1 1032 . 1 . 1 81 81 VAL N N 15 123.488 0.05 . . . . . . . 81 VAL N . 51902 1 1033 . 1 . 1 82 82 LEU H H 1 8.98 0.02 . . . . . . . 82 LEU H . 51902 1 1034 . 1 . 1 82 82 LEU HA H 1 4.399 0.02 . . . . . . . 82 LEU HA . 51902 1 1035 . 1 . 1 82 82 LEU HB2 H 1 1.668 0.02 . . . . . . . 82 LEU HB2 . 51902 1 1036 . 1 . 1 82 82 LEU HB3 H 1 1.512 0.02 . . . . . . . 82 LEU HB3 . 51902 1 1037 . 1 . 1 82 82 LEU HG H 1 1.605 0.02 . . . . . . . 82 LEU HG . 51902 1 1038 . 1 . 1 82 82 LEU HD11 H 1 0.919 0.02 . . . . . . . 82 LEU QD1 . 51902 1 1039 . 1 . 1 82 82 LEU HD12 H 1 0.919 0.02 . . . . . . . 82 LEU QD1 . 51902 1 1040 . 1 . 1 82 82 LEU HD13 H 1 0.919 0.02 . . . . . . . 82 LEU QD1 . 51902 1 1041 . 1 . 1 82 82 LEU HD21 H 1 0.818 0.02 . . . . . . . 82 LEU QD2 . 51902 1 1042 . 1 . 1 82 82 LEU HD22 H 1 0.818 0.02 . . . . . . . 82 LEU QD2 . 51902 1 1043 . 1 . 1 82 82 LEU HD23 H 1 0.818 0.02 . . . . . . . 82 LEU QD2 . 51902 1 1044 . 1 . 1 82 82 LEU C C 13 176.857 0.05 . . . . . . . 82 LEU C . 51902 1 1045 . 1 . 1 82 82 LEU CA C 13 55.001 0.05 . . . . . . . 82 LEU CA . 51902 1 1046 . 1 . 1 82 82 LEU CB C 13 41.849 0.05 . . . . . . . 82 LEU CB . 51902 1 1047 . 1 . 1 82 82 LEU CG C 13 26.971 0.05 . . . . . . . 82 LEU CG . 51902 1 1048 . 1 . 1 82 82 LEU CD1 C 13 25.345 0.05 . . . . . . . 82 LEU CD1 . 51902 1 1049 . 1 . 1 82 82 LEU CD2 C 13 22.829 0.05 . . . . . . . 82 LEU CD2 . 51902 1 1050 . 1 . 1 82 82 LEU N N 15 129.097 0.05 . . . . . . . 82 LEU N . 51902 1 1051 . 1 . 1 83 83 ASP H H 1 8.444 0.02 . . . . . . . 83 ASP H . 51902 1 1052 . 1 . 1 83 83 ASP HA H 1 4.643 0.02 . . . . . . . 83 ASP HA . 51902 1 1053 . 1 . 1 83 83 ASP HB2 H 1 2.566 0.02 . . . . . . . 83 ASP HB2 . 51902 1 1054 . 1 . 1 83 83 ASP HB3 H 1 2.676 0.02 . . . . . . . 83 ASP HB3 . 51902 1 1055 . 1 . 1 83 83 ASP C C 13 175.845 0.05 . . . . . . . 83 ASP C . 51902 1 1056 . 1 . 1 83 83 ASP CA C 13 54.239 0.05 . . . . . . . 83 ASP CA . 51902 1 1057 . 1 . 1 83 83 ASP CB C 13 41.558 0.05 . . . . . . . 83 ASP CB . 51902 1 1058 . 1 . 1 83 83 ASP N N 15 121.552 0.05 . . . . . . . 83 ASP N . 51902 1 1059 . 1 . 1 84 84 ASP H H 1 8.363 0.02 . . . . . . . 84 ASP H . 51902 1 1060 . 1 . 1 84 84 ASP HA H 1 4.58 0.02 . . . . . . . 84 ASP HA . 51902 1 1061 . 1 . 1 84 84 ASP HB2 H 1 2.624 0.02 . . . . . . . 84 ASP HB2 . 51902 1 1062 . 1 . 1 84 84 ASP HB3 H 1 2.57 0.02 . . . . . . . 84 ASP HB3 . 51902 1 1063 . 1 . 1 84 84 ASP C C 13 176.435 0.05 . . . . . . . 84 ASP C . 51902 1 1064 . 1 . 1 84 84 ASP CA C 13 54.347 0.05 . . . . . . . 84 ASP CA . 51902 1 1065 . 1 . 1 84 84 ASP CB C 13 41.505 0.05 . . . . . . . 84 ASP CB . 51902 1 1066 . 1 . 1 84 84 ASP N N 15 121.498 0.05 . . . . . . . 84 ASP N . 51902 1 1067 . 1 . 1 85 85 GLU H H 1 8.435 0.02 . . . . . . . 85 GLU H . 51902 1 1068 . 1 . 1 85 85 GLU HA H 1 4.25 0.02 . . . . . . . 85 GLU HA . 51902 1 1069 . 1 . 1 85 85 GLU HB2 H 1 2.026 0.02 . . . . . . . 85 GLU HB2 . 51902 1 1070 . 1 . 1 85 85 GLU HB3 H 1 1.916 0.02 . . . . . . . 85 GLU HB3 . 51902 1 1071 . 1 . 1 85 85 GLU HG2 H 1 2.19 0.02 . . . . . . . 85 GLU HG2 . 51902 1 1072 . 1 . 1 85 85 GLU HG3 H 1 2.243 0.02 . . . . . . . 85 GLU HG3 . 51902 1 1073 . 1 . 1 85 85 GLU C C 13 176.646 0.05 . . . . . . . 85 GLU C . 51902 1 1074 . 1 . 1 85 85 GLU CA C 13 56.838 0.05 . . . . . . . 85 GLU CA . 51902 1 1075 . 1 . 1 85 85 GLU CB C 13 30.045 0.05 . . . . . . . 85 GLU CB . 51902 1 1076 . 1 . 1 85 85 GLU CG C 13 36.106 0.05 . . . . . . . 85 GLU CG . 51902 1 1077 . 1 . 1 85 85 GLU N N 15 121.666 0.05 . . . . . . . 85 GLU N . 51902 1 1078 . 1 . 1 86 86 LYS H H 1 8.249 0.02 . . . . . . . 86 LYS H . 51902 1 1079 . 1 . 1 86 86 LYS HA H 1 4.249 0.02 . . . . . . . 86 LYS HA . 51902 1 1080 . 1 . 1 86 86 LYS HB2 H 1 1.739 0.02 . . . . . . . 86 LYS HB2 . 51902 1 1081 . 1 . 1 86 86 LYS HB3 H 1 1.76 0.02 . . . . . . . 86 LYS HB3 . 51902 1 1082 . 1 . 1 86 86 LYS HG2 H 1 1.39 0.02 . . . . . . . 86 LYS QG . 51902 1 1083 . 1 . 1 86 86 LYS HG3 H 1 1.39 0.02 . . . . . . . 86 LYS QG . 51902 1 1084 . 1 . 1 86 86 LYS HD2 H 1 1.632 0.02 . . . . . . . 86 LYS HD2 . 51902 1 1085 . 1 . 1 86 86 LYS HD3 H 1 1.582 0.02 . . . . . . . 86 LYS HD3 . 51902 1 1086 . 1 . 1 86 86 LYS HE2 H 1 2.953 0.02 . . . . . . . 86 LYS QE . 51902 1 1087 . 1 . 1 86 86 LYS HE3 H 1 2.953 0.02 . . . . . . . 86 LYS QE . 51902 1 1088 . 1 . 1 86 86 LYS C C 13 176.651 0.05 . . . . . . . 86 LYS C . 51902 1 1089 . 1 . 1 86 86 LYS CA C 13 56.379 0.05 . . . . . . . 86 LYS CA . 51902 1 1090 . 1 . 1 86 86 LYS CB C 13 33.036 0.05 . . . . . . . 86 LYS CB . 51902 1 1091 . 1 . 1 86 86 LYS CG C 13 24.501 0.05 . . . . . . . 86 LYS CG . 51902 1 1092 . 1 . 1 86 86 LYS CD C 13 28.836 0.05 . . . . . . . 86 LYS CD . 51902 1 1093 . 1 . 1 86 86 LYS CE C 13 41.746 0.05 . . . . . . . 86 LYS CE . 51902 1 1094 . 1 . 1 86 86 LYS N N 15 122.021 0.05 . . . . . . . 86 LYS N . 51902 1 1095 . 1 . 1 87 87 GLU H H 1 8.393 0.02 . . . . . . . 87 GLU H . 51902 1 1096 . 1 . 1 87 87 GLU HA H 1 4.205 0.02 . . . . . . . 87 GLU HA . 51902 1 1097 . 1 . 1 87 87 GLU HB2 H 1 2.006 0.02 . . . . . . . 87 GLU HB2 . 51902 1 1098 . 1 . 1 87 87 GLU HB3 H 1 1.895 0.02 . . . . . . . 87 GLU HB3 . 51902 1 1099 . 1 . 1 87 87 GLU HG2 H 1 2.194 0.02 . . . . . . . 87 GLU HG2 . 51902 1 1100 . 1 . 1 87 87 GLU HG3 H 1 2.245 0.02 . . . . . . . 87 GLU HG3 . 51902 1 1101 . 1 . 1 87 87 GLU C C 13 176.243 0.05 . . . . . . . 87 GLU C . 51902 1 1102 . 1 . 1 87 87 GLU CA C 13 56.706 0.05 . . . . . . . 87 GLU CA . 51902 1 1103 . 1 . 1 87 87 GLU CB C 13 30.208 0.05 . . . . . . . 87 GLU CB . 51902 1 1104 . 1 . 1 87 87 GLU CG C 13 35.972 0.05 . . . . . . . 87 GLU CG . 51902 1 1105 . 1 . 1 87 87 GLU N N 15 121.631 0.05 . . . . . . . 87 GLU N . 51902 1 1106 . 1 . 1 88 88 ASN H H 1 8.391 0.02 . . . . . . . 88 ASN H . 51902 1 1107 . 1 . 1 88 88 ASN HA H 1 4.666 0.02 . . . . . . . 88 ASN HA . 51902 1 1108 . 1 . 1 88 88 ASN HB2 H 1 2.785 0.02 . . . . . . . 88 ASN HB2 . 51902 1 1109 . 1 . 1 88 88 ASN HB3 H 1 2.695 0.02 . . . . . . . 88 ASN HB3 . 51902 1 1110 . 1 . 1 88 88 ASN HD21 H 1 6.87 0.02 . . . . . . . 88 ASN HD21 . 51902 1 1111 . 1 . 1 88 88 ASN HD22 H 1 7.574 0.02 . . . . . . . 88 ASN HD22 . 51902 1 1112 . 1 . 1 88 88 ASN C C 13 173.779 0.05 . . . . . . . 88 ASN C . 51902 1 1113 . 1 . 1 88 88 ASN CA C 13 53.177 0.05 . . . . . . . 88 ASN CA . 51902 1 1114 . 1 . 1 88 88 ASN CB C 13 39.093 0.05 . . . . . . . 88 ASN CB . 51902 1 1115 . 1 . 1 88 88 ASN N N 15 120.038 0.05 . . . . . . . 88 ASN N . 51902 1 1116 . 1 . 1 88 88 ASN ND2 N 15 113.298 0.05 . . . . . . . 88 ASN ND2 . 51902 1 1117 . 1 . 1 89 89 ALA H H 1 7.823 0.02 . . . . . . . 89 ALA H . 51902 1 1118 . 1 . 1 89 89 ALA HA H 1 4.064 0.02 . . . . . . . 89 ALA HA . 51902 1 1119 . 1 . 1 89 89 ALA HB1 H 1 1.291 0.02 . . . . . . . 89 ALA QB . 51902 1 1120 . 1 . 1 89 89 ALA HB2 H 1 1.291 0.02 . . . . . . . 89 ALA QB . 51902 1 1121 . 1 . 1 89 89 ALA HB3 H 1 1.291 0.02 . . . . . . . 89 ALA QB . 51902 1 1122 . 1 . 1 89 89 ALA CA C 13 53.892 0.05 . . . . . . . 89 ALA CA . 51902 1 1123 . 1 . 1 89 89 ALA CB C 13 20.191 0.05 . . . . . . . 89 ALA CB . 51902 1 1124 . 1 . 1 89 89 ALA N N 15 129.785 0.05 . . . . . . . 89 ALA N . 51902 1 stop_ save_