data_16564 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16564 _Entry.Title ; NMR Structure of Agrobacterium tumefaciens protein Atu1219: Northeast Structural Genomics Consortium target AtT14 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-10-18 _Entry.Accession_date 2009-10-18 _Entry.Last_release_date 2012-08-03 _Entry.Original_release_date 2012-08-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 John Cort . R. . 16564 2 Adelinda Yee . . . 16564 3 Cheryl Arrowsmith . H. . 16564 4 Michael Kennedy . A. . 16564 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 16564 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Protein . 16564 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16564 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 421 16564 '15N chemical shifts' 107 16564 '1H chemical shifts' 636 16564 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-08-03 2009-10-18 original author . 16564 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KPQ 'BMRB Entry Tracking System' 16564 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16564 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR Structure of Agrobacterium tumefaciens protein Atu1219' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 John Cort . R. . 16564 1 2 Adelinda Yee . . . 16564 1 3 Cheryl Arrowsmith . H. . 16564 1 4 Michael Kennedy . A. . 16564 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16564 _Assembly.ID 1 _Assembly.Name Atu1219 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Atu1219 1 $Atu1219 A . yes native no no . . . 16564 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Atu1219 _Entity.Sf_category entity _Entity.Sf_framecode Atu1219 _Entity.Entry_ID 16564 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Atu1219 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MEVQSMLLNDVKWEKPVTIS LQNGAPRIFNGVYEAFDFLQ HEWPARGDRAHEQALRLCRA SLMGDVAGEIARTAFVAASR QAHCLMEDKAEAPNTIASGS ; _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 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KPQ . "Nmr Structure Of Agrobacterium Tumefaciens Protein Atu1219: Northeast Structural Genomics Consortium Target Att14" . . . . . 100.00 100 100.00 100.00 2.33e-67 . . . . 16564 1 2 no GB AAK87021 . "conserved hypothetical protein [Agrobacterium fabrum str. C58]" . . . . . 98.00 98 100.00 100.00 8.48e-66 . . . . 16564 1 3 no GB EGL64935 . "hypothetical protein AGRO_2481 [Agrobacterium sp. ATCC 31749]" . . . . . 93.00 93 98.92 98.92 3.52e-61 . . . . 16564 1 4 no GB KEY55612 . "hypothetical protein EN41_17790 [Agrobacterium tumefaciens]" . . . . . 93.00 93 100.00 100.00 5.76e-62 . . . . 16564 1 5 no GB KJX88779 . "hypothetical protein SY94_1123 [Agrobacterium tumefaciens]" . . . . . 98.00 98 100.00 100.00 8.48e-66 . . . . 16564 1 6 no REF NP_354236 . "conserved hypothetical protein [Agrobacterium fabrum str. C58]" . . . . . 98.00 98 100.00 100.00 8.48e-66 . . . . 16564 1 7 no REF WP_006312770 . "hypothetical protein [Agrobacterium sp. ATCC 31749]" . . . . . 93.00 93 98.92 98.92 3.52e-61 . . . . 16564 1 8 no REF WP_010971479 . "hypothetical protein [Agrobacterium fabrum]" . . . . . 98.00 98 100.00 100.00 8.48e-66 . . . . 16564 1 9 no REF WP_035256530 . "hypothetical protein [Agrobacterium tumefaciens]" . . . . . 93.00 93 100.00 100.00 5.76e-62 . . . . 16564 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16564 1 2 . GLU . 16564 1 3 . VAL . 16564 1 4 . GLN . 16564 1 5 . SER . 16564 1 6 . MET . 16564 1 7 . LEU . 16564 1 8 . LEU . 16564 1 9 . ASN . 16564 1 10 . ASP . 16564 1 11 . VAL . 16564 1 12 . LYS . 16564 1 13 . TRP . 16564 1 14 . GLU . 16564 1 15 . LYS . 16564 1 16 . PRO . 16564 1 17 . VAL . 16564 1 18 . THR . 16564 1 19 . ILE . 16564 1 20 . SER . 16564 1 21 . LEU . 16564 1 22 . GLN . 16564 1 23 . ASN . 16564 1 24 . GLY . 16564 1 25 . ALA . 16564 1 26 . PRO . 16564 1 27 . ARG . 16564 1 28 . ILE . 16564 1 29 . PHE . 16564 1 30 . ASN . 16564 1 31 . GLY . 16564 1 32 . VAL . 16564 1 33 . TYR . 16564 1 34 . GLU . 16564 1 35 . ALA . 16564 1 36 . PHE . 16564 1 37 . ASP . 16564 1 38 . PHE . 16564 1 39 . LEU . 16564 1 40 . GLN . 16564 1 41 . HIS . 16564 1 42 . GLU . 16564 1 43 . TRP . 16564 1 44 . PRO . 16564 1 45 . ALA . 16564 1 46 . ARG . 16564 1 47 . GLY . 16564 1 48 . ASP . 16564 1 49 . ARG . 16564 1 50 . ALA . 16564 1 51 . HIS . 16564 1 52 . GLU . 16564 1 53 . GLN . 16564 1 54 . ALA . 16564 1 55 . LEU . 16564 1 56 . ARG . 16564 1 57 . LEU . 16564 1 58 . CYS . 16564 1 59 . ARG . 16564 1 60 . ALA . 16564 1 61 . SER . 16564 1 62 . LEU . 16564 1 63 . MET . 16564 1 64 . GLY . 16564 1 65 . ASP . 16564 1 66 . VAL . 16564 1 67 . ALA . 16564 1 68 . GLY . 16564 1 69 . GLU . 16564 1 70 . ILE . 16564 1 71 . ALA . 16564 1 72 . ARG . 16564 1 73 . THR . 16564 1 74 . ALA . 16564 1 75 . PHE . 16564 1 76 . VAL . 16564 1 77 . ALA . 16564 1 78 . ALA . 16564 1 79 . SER . 16564 1 80 . ARG . 16564 1 81 . GLN . 16564 1 82 . ALA . 16564 1 83 . HIS . 16564 1 84 . CYS . 16564 1 85 . LEU . 16564 1 86 . MET . 16564 1 87 . GLU . 16564 1 88 . ASP . 16564 1 89 . LYS . 16564 1 90 . ALA . 16564 1 91 . GLU . 16564 1 92 . ALA . 16564 1 93 . PRO . 16564 1 94 . ASN . 16564 1 95 . THR . 16564 1 96 . ILE . 16564 1 97 . ALA . 16564 1 98 . SER . 16564 1 99 . GLY . 16564 1 100 . SER . 16564 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16564 1 . GLU 2 2 16564 1 . VAL 3 3 16564 1 . GLN 4 4 16564 1 . SER 5 5 16564 1 . MET 6 6 16564 1 . LEU 7 7 16564 1 . LEU 8 8 16564 1 . ASN 9 9 16564 1 . ASP 10 10 16564 1 . VAL 11 11 16564 1 . LYS 12 12 16564 1 . TRP 13 13 16564 1 . GLU 14 14 16564 1 . LYS 15 15 16564 1 . PRO 16 16 16564 1 . VAL 17 17 16564 1 . THR 18 18 16564 1 . ILE 19 19 16564 1 . SER 20 20 16564 1 . LEU 21 21 16564 1 . GLN 22 22 16564 1 . ASN 23 23 16564 1 . GLY 24 24 16564 1 . ALA 25 25 16564 1 . PRO 26 26 16564 1 . ARG 27 27 16564 1 . ILE 28 28 16564 1 . PHE 29 29 16564 1 . ASN 30 30 16564 1 . GLY 31 31 16564 1 . VAL 32 32 16564 1 . TYR 33 33 16564 1 . GLU 34 34 16564 1 . ALA 35 35 16564 1 . PHE 36 36 16564 1 . ASP 37 37 16564 1 . PHE 38 38 16564 1 . LEU 39 39 16564 1 . GLN 40 40 16564 1 . HIS 41 41 16564 1 . GLU 42 42 16564 1 . TRP 43 43 16564 1 . PRO 44 44 16564 1 . ALA 45 45 16564 1 . ARG 46 46 16564 1 . GLY 47 47 16564 1 . ASP 48 48 16564 1 . ARG 49 49 16564 1 . ALA 50 50 16564 1 . HIS 51 51 16564 1 . GLU 52 52 16564 1 . GLN 53 53 16564 1 . ALA 54 54 16564 1 . LEU 55 55 16564 1 . ARG 56 56 16564 1 . LEU 57 57 16564 1 . CYS 58 58 16564 1 . ARG 59 59 16564 1 . ALA 60 60 16564 1 . SER 61 61 16564 1 . LEU 62 62 16564 1 . MET 63 63 16564 1 . GLY 64 64 16564 1 . ASP 65 65 16564 1 . VAL 66 66 16564 1 . ALA 67 67 16564 1 . GLY 68 68 16564 1 . GLU 69 69 16564 1 . ILE 70 70 16564 1 . ALA 71 71 16564 1 . ARG 72 72 16564 1 . THR 73 73 16564 1 . ALA 74 74 16564 1 . PHE 75 75 16564 1 . VAL 76 76 16564 1 . ALA 77 77 16564 1 . ALA 78 78 16564 1 . SER 79 79 16564 1 . ARG 80 80 16564 1 . GLN 81 81 16564 1 . ALA 82 82 16564 1 . HIS 83 83 16564 1 . CYS 84 84 16564 1 . LEU 85 85 16564 1 . MET 86 86 16564 1 . GLU 87 87 16564 1 . ASP 88 88 16564 1 . LYS 89 89 16564 1 . ALA 90 90 16564 1 . GLU 91 91 16564 1 . ALA 92 92 16564 1 . PRO 93 93 16564 1 . ASN 94 94 16564 1 . THR 95 95 16564 1 . ILE 96 96 16564 1 . ALA 97 97 16564 1 . SER 98 98 16564 1 . GLY 99 99 16564 1 . SER 100 100 16564 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16564 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Atu1219 . 358 organism . 'Agrobacterium tumefaciens' 'Agrobacterium tumefaciens' . . Eubacteria . Agrobacterium tumefaciens 'C58 / ATCC33970' . . . . . . . . . . . . . . . Atu1219 . . . . 16564 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 16564 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Atu1219 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET11 . . . . . . 16564 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16564 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Atu1219 '[U-100% 13C; U-100% 15N]' . . 1 $Atu1219 . . 0.9 . . mM . . . . 16564 1 2 'sodium chloride' 'natural abundance' . . . . . . 450 . . mM . . . . 16564 1 3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16564 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 16564 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16564 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16564 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16564 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 Atu1219 '[U-100% 13C; U-100% 15N]' . . 1 $Atu1219 . . 0.9 . . mM . . . . 16564 2 2 'sodium chloride' 'natural abundance' . . . . . . 450 . . mM . . . . 16564 2 3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16564 2 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 16564 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16564 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16564 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Atu1219 '[U-100% 15N], 7% 13C biosynthetically directed labeling' . . 1 $Atu1219 . . 0.9 . . mM . . . . 16564 3 2 'sodium chloride' 'natural abundance' . . . . . . 450 . . mM . . . . 16564 3 3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16564 3 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 16564 3 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16564 3 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16564 3 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 16564 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.45 . M 16564 1 pH 6.5 . pH 16564 1 pressure 1 . atm 16564 1 temperature 293 . K 16564 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16564 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16564 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16564 1 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16564 _Software.ID 2 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16564 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16564 2 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 16564 _Software.ID 3 _Software.Name AutoStruct _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 16564 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16564 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16564 _Software.ID 4 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16564 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16564 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16564 _Software.ID 5 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16564 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16564 5 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 16564 _Software.ID 6 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 16564 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16564 6 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 16564 _Software.ID 7 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 16564 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16564 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16564 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16564 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16564 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16564 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 16564 1 2 spectrometer_2 Varian INOVA . 750 . . . 16564 1 3 spectrometer_3 Varian UnityPlus . 500 . . . 16564 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16564 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16564 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16564 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16564 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16564 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16564 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16564 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16564 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16564 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16564 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16564 1 11 '4D 1H-13C-13C-1H HMQC-NOESY-HMQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16564 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16564 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16564 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16564 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16564 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16564 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16564 1 2 '2D 1H-13C HSQC' . . . 16564 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 4 $SPARKY . . 16564 1 5 $NMRPipe . . 16564 1 7 $Felix . . 16564 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.37 0.02 . 1 . . . . 1 MET HA . 16564 1 2 . 1 1 1 1 MET HB2 H 1 1.90 0.02 . 2 . . . . 1 MET HB2 . 16564 1 3 . 1 1 1 1 MET HB3 H 1 1.99 0.02 . 2 . . . . 1 MET HB3 . 16564 1 4 . 1 1 1 1 MET C C 13 175.9 0.2 . 1 . . . . 1 MET C . 16564 1 5 . 1 1 1 1 MET CA C 13 55.6 0.2 . 1 . . . . 1 MET CA . 16564 1 6 . 1 1 1 1 MET CB C 13 32.6 0.2 . 1 . . . . 1 MET CB . 16564 1 7 . 1 1 2 2 GLU H H 1 8.44 0.02 . 1 . . . . 2 GLU H . 16564 1 8 . 1 1 2 2 GLU HA H 1 4.28 0.02 . 1 . . . . 2 GLU HA . 16564 1 9 . 1 1 2 2 GLU HB2 H 1 1.93 0.02 . 2 . . . . 2 GLU HB2 . 16564 1 10 . 1 1 2 2 GLU HB3 H 1 2.02 0.02 . 2 . . . . 2 GLU HB3 . 16564 1 11 . 1 1 2 2 GLU C C 13 176.7 0.2 . 1 . . . . 2 GLU C . 16564 1 12 . 1 1 2 2 GLU CA C 13 56.8 0.2 . 1 . . . . 2 GLU CA . 16564 1 13 . 1 1 2 2 GLU CB C 13 30.1 0.2 . 1 . . . . 2 GLU CB . 16564 1 14 . 1 1 2 2 GLU N N 15 122.6 0.2 . 1 . . . . 2 GLU N . 16564 1 15 . 1 1 3 3 VAL H H 1 8.21 0.02 . 1 . . . . 3 VAL H . 16564 1 16 . 1 1 3 3 VAL HA H 1 4.52 0.02 . 1 . . . . 3 VAL HA . 16564 1 17 . 1 1 3 3 VAL HB H 1 2.06 0.02 . 1 . . . . 3 VAL HB . 16564 1 18 . 1 1 3 3 VAL HG11 H 1 0.90 0.02 . 1 . . . . 3 VAL HG1 . 16564 1 19 . 1 1 3 3 VAL HG12 H 1 0.90 0.02 . 1 . . . . 3 VAL HG1 . 16564 1 20 . 1 1 3 3 VAL HG13 H 1 0.90 0.02 . 1 . . . . 3 VAL HG1 . 16564 1 21 . 1 1 3 3 VAL HG21 H 1 0.93 0.02 . 1 . . . . 3 VAL HG2 . 16564 1 22 . 1 1 3 3 VAL HG22 H 1 0.93 0.02 . 1 . . . . 3 VAL HG2 . 16564 1 23 . 1 1 3 3 VAL HG23 H 1 0.93 0.02 . 1 . . . . 3 VAL HG2 . 16564 1 24 . 1 1 3 3 VAL C C 13 176.4 0.2 . 1 . . . . 3 VAL C . 16564 1 25 . 1 1 3 3 VAL CA C 13 62.9 0.2 . 1 . . . . 3 VAL CA . 16564 1 26 . 1 1 3 3 VAL CB C 13 32.7 0.2 . 1 . . . . 3 VAL CB . 16564 1 27 . 1 1 3 3 VAL CG1 C 13 21.3 0.2 . 1 . . . . 3 VAL CG1 . 16564 1 28 . 1 1 3 3 VAL CG2 C 13 20.9 0.2 . 1 . . . . 3 VAL CG2 . 16564 1 29 . 1 1 3 3 VAL N N 15 121.5 0.2 . 1 . . . . 3 VAL N . 16564 1 30 . 1 1 4 4 GLN H H 1 8.48 0.02 . 1 . . . . 4 GLN H . 16564 1 31 . 1 1 4 4 GLN HA H 1 4.27 0.02 . 1 . . . . 4 GLN HA . 16564 1 32 . 1 1 4 4 GLN HB2 H 1 1.99 0.02 . 2 . . . . 4 GLN HB2 . 16564 1 33 . 1 1 4 4 GLN HB3 H 1 2.08 0.02 . 2 . . . . 4 GLN HB3 . 16564 1 34 . 1 1 4 4 GLN HE21 H 1 6.86 0.02 . 2 . . . . 4 GLN HE21 . 16564 1 35 . 1 1 4 4 GLN HE22 H 1 7.50 0.02 . 2 . . . . 4 GLN HE22 . 16564 1 36 . 1 1 4 4 GLN HG2 H 1 2.33 0.02 . 2 . . . . 4 GLN HG2 . 16564 1 37 . 1 1 4 4 GLN HG3 H 1 2.36 0.02 . 2 . . . . 4 GLN HG3 . 16564 1 38 . 1 1 4 4 GLN C C 13 176.3 0.2 . 1 . . . . 4 GLN C . 16564 1 39 . 1 1 4 4 GLN CA C 13 56.4 0.2 . 1 . . . . 4 GLN CA . 16564 1 40 . 1 1 4 4 GLN CB C 13 29.1 0.2 . 1 . . . . 4 GLN CB . 16564 1 41 . 1 1 4 4 GLN CD C 13 180.2 0.2 . 1 . . . . 4 GLN CD . 16564 1 42 . 1 1 4 4 GLN CG C 13 33.7 0.2 . 1 . . . . 4 GLN CG . 16564 1 43 . 1 1 4 4 GLN N N 15 123.2 0.2 . 1 . . . . 4 GLN N . 16564 1 44 . 1 1 4 4 GLN NE2 N 15 112.5 0.2 . 1 . . . . 4 GLN NE2 . 16564 1 45 . 1 1 5 5 SER H H 1 8.23 0.02 . 1 . . . . 5 SER H . 16564 1 46 . 1 1 5 5 SER HA H 1 4.34 0.02 . 1 . . . . 5 SER HA . 16564 1 47 . 1 1 5 5 SER HB2 H 1 3.82 0.02 . 2 . . . . 5 SER HB2 . 16564 1 48 . 1 1 5 5 SER HB3 H 1 3.87 0.02 . 2 . . . . 5 SER HB3 . 16564 1 49 . 1 1 5 5 SER C C 13 174.7 0.2 . 1 . . . . 5 SER C . 16564 1 50 . 1 1 5 5 SER CA C 13 58.9 0.2 . 1 . . . . 5 SER CA . 16564 1 51 . 1 1 5 5 SER CB C 13 63.5 0.2 . 1 . . . . 5 SER CB . 16564 1 52 . 1 1 5 5 SER N N 15 116.5 0.2 . 1 . . . . 5 SER N . 16564 1 53 . 1 1 6 6 MET H H 1 8.24 0.02 . 1 . . . . 6 MET H . 16564 1 54 . 1 1 6 6 MET HA H 1 4.40 0.02 . 1 . . . . 6 MET HA . 16564 1 55 . 1 1 6 6 MET HB2 H 1 1.99 0.02 . 2 . . . . 6 MET HB2 . 16564 1 56 . 1 1 6 6 MET HB3 H 1 2.04 0.02 . 2 . . . . 6 MET HB3 . 16564 1 57 . 1 1 6 6 MET C C 13 175.9 0.2 . 1 . . . . 6 MET C . 16564 1 58 . 1 1 6 6 MET CA C 13 56.1 0.2 . 1 . . . . 6 MET CA . 16564 1 59 . 1 1 6 6 MET CB C 13 32.9 0.2 . 1 . . . . 6 MET CB . 16564 1 60 . 1 1 6 6 MET CG C 13 32.2 0.2 . 1 . . . . 6 MET CG . 16564 1 61 . 1 1 6 6 MET N N 15 121.8 0.2 . 1 . . . . 6 MET N . 16564 1 62 . 1 1 7 7 LEU H H 1 7.86 0.02 . 1 . . . . 7 LEU H . 16564 1 63 . 1 1 7 7 LEU HA H 1 4.13 0.02 . 1 . . . . 7 LEU HA . 16564 1 64 . 1 1 7 7 LEU HB2 H 1 1.50 0.02 . 2 . . . . 7 LEU HB2 . 16564 1 65 . 1 1 7 7 LEU HB3 H 1 1.54 0.02 . 2 . . . . 7 LEU HB3 . 16564 1 66 . 1 1 7 7 LEU HD11 H 1 0.82 0.02 . 1 . . . . 7 LEU HD1 . 16564 1 67 . 1 1 7 7 LEU HD12 H 1 0.82 0.02 . 1 . . . . 7 LEU HD1 . 16564 1 68 . 1 1 7 7 LEU HD13 H 1 0.82 0.02 . 1 . . . . 7 LEU HD1 . 16564 1 69 . 1 1 7 7 LEU HD21 H 1 0.74 0.02 . 1 . . . . 7 LEU HD2 . 16564 1 70 . 1 1 7 7 LEU HD22 H 1 0.74 0.02 . 1 . . . . 7 LEU HD2 . 16564 1 71 . 1 1 7 7 LEU HD23 H 1 0.74 0.02 . 1 . . . . 7 LEU HD2 . 16564 1 72 . 1 1 7 7 LEU HG H 1 1.50 0.02 . 1 . . . . 7 LEU HG . 16564 1 73 . 1 1 7 7 LEU C C 13 177.1 0.2 . 1 . . . . 7 LEU C . 16564 1 74 . 1 1 7 7 LEU CA C 13 55.9 0.2 . 1 . . . . 7 LEU CA . 16564 1 75 . 1 1 7 7 LEU CB C 13 42.0 0.2 . 1 . . . . 7 LEU CB . 16564 1 76 . 1 1 7 7 LEU CD1 C 13 24.8 0.2 . 1 . . . . 7 LEU CD1 . 16564 1 77 . 1 1 7 7 LEU CD2 C 13 23.8 0.2 . 1 . . . . 7 LEU CD2 . 16564 1 78 . 1 1 7 7 LEU CG C 13 26.9 0.2 . 1 . . . . 7 LEU CG . 16564 1 79 . 1 1 7 7 LEU N N 15 121.6 0.2 . 1 . . . . 7 LEU N . 16564 1 80 . 1 1 8 8 LEU H H 1 7.92 0.02 . 1 . . . . 8 LEU H . 16564 1 81 . 1 1 8 8 LEU HA H 1 4.32 0.02 . 1 . . . . 8 LEU HA . 16564 1 82 . 1 1 8 8 LEU HB2 H 1 1.41 0.02 . 2 . . . . 8 LEU HB2 . 16564 1 83 . 1 1 8 8 LEU HB3 H 1 1.65 0.02 . 2 . . . . 8 LEU HB3 . 16564 1 84 . 1 1 8 8 LEU HD11 H 1 0.84 0.02 . 1 . . . . 8 LEU HD1 . 16564 1 85 . 1 1 8 8 LEU HD12 H 1 0.84 0.02 . 1 . . . . 8 LEU HD1 . 16564 1 86 . 1 1 8 8 LEU HD13 H 1 0.84 0.02 . 1 . . . . 8 LEU HD1 . 16564 1 87 . 1 1 8 8 LEU HD21 H 1 0.76 0.02 . 1 . . . . 8 LEU HD2 . 16564 1 88 . 1 1 8 8 LEU HD22 H 1 0.76 0.02 . 1 . . . . 8 LEU HD2 . 16564 1 89 . 1 1 8 8 LEU HD23 H 1 0.76 0.02 . 1 . . . . 8 LEU HD2 . 16564 1 90 . 1 1 8 8 LEU HG H 1 1.54 0.02 . 1 . . . . 8 LEU HG . 16564 1 91 . 1 1 8 8 LEU C C 13 176.5 0.2 . 1 . . . . 8 LEU C . 16564 1 92 . 1 1 8 8 LEU CA C 13 54.7 0.2 . 1 . . . . 8 LEU CA . 16564 1 93 . 1 1 8 8 LEU CB C 13 42.5 0.2 . 1 . . . . 8 LEU CB . 16564 1 94 . 1 1 8 8 LEU CD1 C 13 25.2 0.2 . 1 . . . . 8 LEU CD1 . 16564 1 95 . 1 1 8 8 LEU CD2 C 13 23.1 0.2 . 1 . . . . 8 LEU CD2 . 16564 1 96 . 1 1 8 8 LEU CG C 13 27.0 0.2 . 1 . . . . 8 LEU CG . 16564 1 97 . 1 1 8 8 LEU N N 15 120.5 0.2 . 1 . . . . 8 LEU N . 16564 1 98 . 1 1 9 9 ASN H H 1 8.24 0.02 . 1 . . . . 9 ASN H . 16564 1 99 . 1 1 9 9 ASN HA H 1 4.66 0.02 . 1 . . . . 9 ASN HA . 16564 1 100 . 1 1 9 9 ASN HB2 H 1 2.66 0.02 . 2 . . . . 9 ASN HB2 . 16564 1 101 . 1 1 9 9 ASN HB3 H 1 2.75 0.02 . 2 . . . . 9 ASN HB3 . 16564 1 102 . 1 1 9 9 ASN HD21 H 1 6.84 0.02 . 2 . . . . 9 ASN HD21 . 16564 1 103 . 1 1 9 9 ASN HD22 H 1 7.53 0.02 . 2 . . . . 9 ASN HD22 . 16564 1 104 . 1 1 9 9 ASN C C 13 173.9 0.2 . 1 . . . . 9 ASN C . 16564 1 105 . 1 1 9 9 ASN CA C 13 53.2 0.2 . 1 . . . . 9 ASN CA . 16564 1 106 . 1 1 9 9 ASN CB C 13 39.6 0.2 . 1 . . . . 9 ASN CB . 16564 1 107 . 1 1 9 9 ASN CG C 13 177.0 0.2 . 1 . . . . 9 ASN CG . 16564 1 108 . 1 1 9 9 ASN N N 15 118.9 0.2 . 1 . . . . 9 ASN N . 16564 1 109 . 1 1 9 9 ASN ND2 N 15 113.4 0.2 . 1 . . . . 9 ASN ND2 . 16564 1 110 . 1 1 10 10 ASP H H 1 7.91 0.02 . 1 . . . . 10 ASP H . 16564 1 111 . 1 1 10 10 ASP HA H 1 4.49 0.02 . 1 . . . . 10 ASP HA . 16564 1 112 . 1 1 10 10 ASP HB2 H 1 2.41 0.02 . 2 . . . . 10 ASP HB2 . 16564 1 113 . 1 1 10 10 ASP HB3 H 1 2.57 0.02 . 2 . . . . 10 ASP HB3 . 16564 1 114 . 1 1 10 10 ASP C C 13 175.3 0.2 . 1 . . . . 10 ASP C . 16564 1 115 . 1 1 10 10 ASP CA C 13 53.6 0.2 . 1 . . . . 10 ASP CA . 16564 1 116 . 1 1 10 10 ASP CB C 13 41.9 0.2 . 1 . . . . 10 ASP CB . 16564 1 117 . 1 1 10 10 ASP N N 15 117.8 0.2 . 1 . . . . 10 ASP N . 16564 1 118 . 1 1 11 11 VAL H H 1 8.29 0.02 . 1 . . . . 11 VAL H . 16564 1 119 . 1 1 11 11 VAL HA H 1 4.00 0.02 . 1 . . . . 11 VAL HA . 16564 1 120 . 1 1 11 11 VAL HB H 1 1.73 0.02 . 1 . . . . 11 VAL HB . 16564 1 121 . 1 1 11 11 VAL HG11 H 1 0.91 0.02 . 1 . . . . 11 VAL HG1 . 16564 1 122 . 1 1 11 11 VAL HG12 H 1 0.91 0.02 . 1 . . . . 11 VAL HG1 . 16564 1 123 . 1 1 11 11 VAL HG13 H 1 0.91 0.02 . 1 . . . . 11 VAL HG1 . 16564 1 124 . 1 1 11 11 VAL HG21 H 1 0.89 0.02 . 1 . . . . 11 VAL HG2 . 16564 1 125 . 1 1 11 11 VAL HG22 H 1 0.89 0.02 . 1 . . . . 11 VAL HG2 . 16564 1 126 . 1 1 11 11 VAL HG23 H 1 0.89 0.02 . 1 . . . . 11 VAL HG2 . 16564 1 127 . 1 1 11 11 VAL C C 13 174.3 0.2 . 1 . . . . 11 VAL C . 16564 1 128 . 1 1 11 11 VAL CA C 13 62.0 0.2 . 1 . . . . 11 VAL CA . 16564 1 129 . 1 1 11 11 VAL CB C 13 34.1 0.2 . 1 . . . . 11 VAL CB . 16564 1 130 . 1 1 11 11 VAL CG1 C 13 21.6 0.2 . 1 . . . . 11 VAL CG1 . 16564 1 131 . 1 1 11 11 VAL CG2 C 13 20.8 0.2 . 1 . . . . 11 VAL CG2 . 16564 1 132 . 1 1 11 11 VAL N N 15 123.6 0.2 . 1 . . . . 11 VAL N . 16564 1 133 . 1 1 12 12 LYS H H 1 8.47 0.02 . 1 . . . . 12 LYS H . 16564 1 134 . 1 1 12 12 LYS HA H 1 4.32 0.02 . 1 . . . . 12 LYS HA . 16564 1 135 . 1 1 12 12 LYS HB2 H 1 1.74 0.02 . 2 . . . . 12 LYS HB2 . 16564 1 136 . 1 1 12 12 LYS HB3 H 1 1.77 0.02 . 2 . . . . 12 LYS HB3 . 16564 1 137 . 1 1 12 12 LYS HD2 H 1 1.52 0.02 . 2 . . . . 12 LYS HD2 . 16564 1 138 . 1 1 12 12 LYS HD3 H 1 1.54 0.02 . 2 . . . . 12 LYS HD3 . 16564 1 139 . 1 1 12 12 LYS HE2 H 1 2.89 0.02 . 2 . . . . 12 LYS HE2 . 16564 1 140 . 1 1 12 12 LYS HE3 H 1 2.94 0.02 . 2 . . . . 12 LYS HE3 . 16564 1 141 . 1 1 12 12 LYS HG2 H 1 1.37 0.02 . 2 . . . . 12 LYS HG2 . 16564 1 142 . 1 1 12 12 LYS HG3 H 1 1.43 0.02 . 2 . . . . 12 LYS HG3 . 16564 1 143 . 1 1 12 12 LYS C C 13 177.1 0.2 . 1 . . . . 12 LYS C . 16564 1 144 . 1 1 12 12 LYS CA C 13 55.5 0.2 . 1 . . . . 12 LYS CA . 16564 1 145 . 1 1 12 12 LYS CB C 13 33.3 0.2 . 1 . . . . 12 LYS CB . 16564 1 146 . 1 1 12 12 LYS CD C 13 28.4 0.2 . 1 . . . . 12 LYS CD . 16564 1 147 . 1 1 12 12 LYS CE C 13 42.1 0.2 . 1 . . . . 12 LYS CE . 16564 1 148 . 1 1 12 12 LYS CG C 13 24.7 0.2 . 1 . . . . 12 LYS CG . 16564 1 149 . 1 1 12 12 LYS N N 15 125.5 0.2 . 1 . . . . 12 LYS N . 16564 1 150 . 1 1 13 13 TRP H H 1 8.44 0.02 . 1 . . . . 13 TRP H . 16564 1 151 . 1 1 13 13 TRP HA H 1 5.11 0.02 . 1 . . . . 13 TRP HA . 16564 1 152 . 1 1 13 13 TRP HB2 H 1 2.87 0.02 . 2 . . . . 13 TRP HB2 . 16564 1 153 . 1 1 13 13 TRP HB3 H 1 3.12 0.02 . 2 . . . . 13 TRP HB3 . 16564 1 154 . 1 1 13 13 TRP HD1 H 1 7.01 0.02 . 1 . . . . 13 TRP HD1 . 16564 1 155 . 1 1 13 13 TRP HE1 H 1 8.61 0.02 . 1 . . . . 13 TRP HE1 . 16564 1 156 . 1 1 13 13 TRP HE3 H 1 7.41 0.02 . 1 . . . . 13 TRP HE3 . 16564 1 157 . 1 1 13 13 TRP HH2 H 1 6.28 0.02 . 1 . . . . 13 TRP HH2 . 16564 1 158 . 1 1 13 13 TRP HZ2 H 1 6.73 0.02 . 1 . . . . 13 TRP HZ2 . 16564 1 159 . 1 1 13 13 TRP HZ3 H 1 6.68 0.02 . 1 . . . . 13 TRP HZ3 . 16564 1 160 . 1 1 13 13 TRP C C 13 176.3 0.2 . 1 . . . . 13 TRP C . 16564 1 161 . 1 1 13 13 TRP CA C 13 53.8 0.2 . 1 . . . . 13 TRP CA . 16564 1 162 . 1 1 13 13 TRP CB C 13 30.1 0.2 . 1 . . . . 13 TRP CB . 16564 1 163 . 1 1 13 13 TRP CD1 C 13 123.6 0.2 . 1 . . . . 13 TRP CD1 . 16564 1 164 . 1 1 13 13 TRP CE3 C 13 120.9 0.2 . 1 . . . . 13 TRP CE3 . 16564 1 165 . 1 1 13 13 TRP CH2 C 13 124.8 0.2 . 1 . . . . 13 TRP CH2 . 16564 1 166 . 1 1 13 13 TRP CZ2 C 13 112.1 0.2 . 1 . . . . 13 TRP CZ2 . 16564 1 167 . 1 1 13 13 TRP CZ3 C 13 121.8 0.2 . 1 . . . . 13 TRP CZ3 . 16564 1 168 . 1 1 13 13 TRP N N 15 124.5 0.2 . 1 . . . . 13 TRP N . 16564 1 169 . 1 1 13 13 TRP NE1 N 15 127.5 0.2 . 1 . . . . 13 TRP NE1 . 16564 1 170 . 1 1 14 14 GLU H H 1 9.16 0.02 . 1 . . . . 14 GLU H . 16564 1 171 . 1 1 14 14 GLU HA H 1 4.06 0.02 . 1 . . . . 14 GLU HA . 16564 1 172 . 1 1 14 14 GLU HB2 H 1 2.09 0.02 . 2 . . . . 14 GLU HB2 . 16564 1 173 . 1 1 14 14 GLU HB3 H 1 2.12 0.02 . 2 . . . . 14 GLU HB3 . 16564 1 174 . 1 1 14 14 GLU HG2 H 1 2.28 0.02 . 2 . . . . 14 GLU HG2 . 16564 1 175 . 1 1 14 14 GLU HG3 H 1 2.40 0.02 . 2 . . . . 14 GLU HG3 . 16564 1 176 . 1 1 14 14 GLU C C 13 176.8 0.2 . 1 . . . . 14 GLU C . 16564 1 177 . 1 1 14 14 GLU CA C 13 58.9 0.2 . 1 . . . . 14 GLU CA . 16564 1 178 . 1 1 14 14 GLU CB C 13 29.6 0.2 . 1 . . . . 14 GLU CB . 16564 1 179 . 1 1 14 14 GLU CG C 13 36.6 0.2 . 1 . . . . 14 GLU CG . 16564 1 180 . 1 1 14 14 GLU N N 15 124.0 0.2 . 1 . . . . 14 GLU N . 16564 1 181 . 1 1 15 15 LYS H H 1 8.25 0.02 . 1 . . . . 15 LYS H . 16564 1 182 . 1 1 15 15 LYS HA H 1 4.93 0.02 . 1 . . . . 15 LYS HA . 16564 1 183 . 1 1 15 15 LYS HB2 H 1 1.60 0.02 . 2 . . . . 15 LYS HB2 . 16564 1 184 . 1 1 15 15 LYS HB3 H 1 1.74 0.02 . 2 . . . . 15 LYS HB3 . 16564 1 185 . 1 1 15 15 LYS HD2 H 1 1.62 0.02 . 2 . . . . 15 LYS HD2 . 16564 1 186 . 1 1 15 15 LYS HD3 H 1 1.65 0.02 . 2 . . . . 15 LYS HD3 . 16564 1 187 . 1 1 15 15 LYS HE2 H 1 2.93 0.02 . 2 . . . . 15 LYS HE2 . 16564 1 188 . 1 1 15 15 LYS HE3 H 1 2.95 0.02 . 2 . . . . 15 LYS HE3 . 16564 1 189 . 1 1 15 15 LYS HG2 H 1 1.39 0.02 . 2 . . . . 15 LYS HG2 . 16564 1 190 . 1 1 15 15 LYS HG3 H 1 1.41 0.02 . 2 . . . . 15 LYS HG3 . 16564 1 191 . 1 1 15 15 LYS CA C 13 52.1 0.2 . 1 . . . . 15 LYS CA . 16564 1 192 . 1 1 15 15 LYS CB C 13 33.6 0.2 . 1 . . . . 15 LYS CB . 16564 1 193 . 1 1 15 15 LYS CD C 13 29.2 0.2 . 1 . . . . 15 LYS CD . 16564 1 194 . 1 1 15 15 LYS CG C 13 24.7 0.2 . 1 . . . . 15 LYS CG . 16564 1 195 . 1 1 15 15 LYS N N 15 118.0 0.2 . 1 . . . . 15 LYS N . 16564 1 196 . 1 1 16 16 PRO HA H 1 5.06 0.02 . 1 . . . . 16 PRO HA . 16564 1 197 . 1 1 16 16 PRO HB2 H 1 1.79 0.02 . 2 . . . . 16 PRO HB2 . 16564 1 198 . 1 1 16 16 PRO HB3 H 1 2.38 0.02 . 2 . . . . 16 PRO HB3 . 16564 1 199 . 1 1 16 16 PRO HD2 H 1 3.72 0.02 . 2 . . . . 16 PRO HD2 . 16564 1 200 . 1 1 16 16 PRO HD3 H 1 3.89 0.02 . 2 . . . . 16 PRO HD3 . 16564 1 201 . 1 1 16 16 PRO HG2 H 1 1.92 0.02 . 2 . . . . 16 PRO HG2 . 16564 1 202 . 1 1 16 16 PRO HG3 H 1 2.07 0.02 . 2 . . . . 16 PRO HG3 . 16564 1 203 . 1 1 16 16 PRO C C 13 177.3 0.2 . 1 . . . . 16 PRO C . 16564 1 204 . 1 1 16 16 PRO CA C 13 62.7 0.2 . 1 . . . . 16 PRO CA . 16564 1 205 . 1 1 16 16 PRO CB C 13 33.4 0.2 . 1 . . . . 16 PRO CB . 16564 1 206 . 1 1 16 16 PRO CD C 13 51.0 0.2 . 1 . . . . 16 PRO CD . 16564 1 207 . 1 1 16 16 PRO CG C 13 26.8 0.2 . 1 . . . . 16 PRO CG . 16564 1 208 . 1 1 17 17 VAL H H 1 8.87 0.02 . 1 . . . . 17 VAL H . 16564 1 209 . 1 1 17 17 VAL HA H 1 4.32 0.02 . 1 . . . . 17 VAL HA . 16564 1 210 . 1 1 17 17 VAL HB H 1 2.22 0.02 . 1 . . . . 17 VAL HB . 16564 1 211 . 1 1 17 17 VAL HG11 H 1 0.95 0.02 . 1 . . . . 17 VAL HG1 . 16564 1 212 . 1 1 17 17 VAL HG12 H 1 0.95 0.02 . 1 . . . . 17 VAL HG1 . 16564 1 213 . 1 1 17 17 VAL HG13 H 1 0.95 0.02 . 1 . . . . 17 VAL HG1 . 16564 1 214 . 1 1 17 17 VAL HG21 H 1 0.75 0.02 . 1 . . . . 17 VAL HG2 . 16564 1 215 . 1 1 17 17 VAL HG22 H 1 0.75 0.02 . 1 . . . . 17 VAL HG2 . 16564 1 216 . 1 1 17 17 VAL HG23 H 1 0.75 0.02 . 1 . . . . 17 VAL HG2 . 16564 1 217 . 1 1 17 17 VAL C C 13 174.6 0.2 . 1 . . . . 17 VAL C . 16564 1 218 . 1 1 17 17 VAL CA C 13 62.1 0.2 . 1 . . . . 17 VAL CA . 16564 1 219 . 1 1 17 17 VAL CB C 13 35.5 0.2 . 1 . . . . 17 VAL CB . 16564 1 220 . 1 1 17 17 VAL CG1 C 13 21.9 0.2 . 1 . . . . 17 VAL CG1 . 16564 1 221 . 1 1 17 17 VAL CG2 C 13 23.4 0.2 . 1 . . . . 17 VAL CG2 . 16564 1 222 . 1 1 17 17 VAL N N 15 121.1 0.2 . 1 . . . . 17 VAL N . 16564 1 223 . 1 1 18 18 THR H H 1 8.96 0.02 . 1 . . . . 18 THR H . 16564 1 224 . 1 1 18 18 THR HA H 1 5.26 0.02 . 1 . . . . 18 THR HA . 16564 1 225 . 1 1 18 18 THR HB H 1 3.99 0.02 . 1 . . . . 18 THR HB . 16564 1 226 . 1 1 18 18 THR HG21 H 1 1.13 0.02 . 1 . . . . 18 THR HG2 . 16564 1 227 . 1 1 18 18 THR HG22 H 1 1.13 0.02 . 1 . . . . 18 THR HG2 . 16564 1 228 . 1 1 18 18 THR HG23 H 1 1.13 0.02 . 1 . . . . 18 THR HG2 . 16564 1 229 . 1 1 18 18 THR C C 13 173.1 0.2 . 1 . . . . 18 THR C . 16564 1 230 . 1 1 18 18 THR CA C 13 62.1 0.2 . 1 . . . . 18 THR CA . 16564 1 231 . 1 1 18 18 THR CB C 13 69.1 0.2 . 1 . . . . 18 THR CB . 16564 1 232 . 1 1 18 18 THR CG2 C 13 22.3 0.2 . 1 . . . . 18 THR CG2 . 16564 1 233 . 1 1 18 18 THR N N 15 124.6 0.2 . 1 . . . . 18 THR N . 16564 1 234 . 1 1 19 19 ILE H H 1 9.14 0.02 . 1 . . . . 19 ILE H . 16564 1 235 . 1 1 19 19 ILE HA H 1 5.07 0.02 . 1 . . . . 19 ILE HA . 16564 1 236 . 1 1 19 19 ILE HB H 1 1.97 0.02 . 1 . . . . 19 ILE HB . 16564 1 237 . 1 1 19 19 ILE HD11 H 1 0.65 0.02 . 1 . . . . 19 ILE HD1 . 16564 1 238 . 1 1 19 19 ILE HD12 H 1 0.65 0.02 . 1 . . . . 19 ILE HD1 . 16564 1 239 . 1 1 19 19 ILE HD13 H 1 0.65 0.02 . 1 . . . . 19 ILE HD1 . 16564 1 240 . 1 1 19 19 ILE HG12 H 1 1.24 0.02 . 2 . . . . 19 ILE HG12 . 16564 1 241 . 1 1 19 19 ILE HG13 H 1 1.29 0.02 . 2 . . . . 19 ILE HG13 . 16564 1 242 . 1 1 19 19 ILE HG21 H 1 0.85 0.02 . 1 . . . . 19 ILE HG2 . 16564 1 243 . 1 1 19 19 ILE HG22 H 1 0.85 0.02 . 1 . . . . 19 ILE HG2 . 16564 1 244 . 1 1 19 19 ILE HG23 H 1 0.85 0.02 . 1 . . . . 19 ILE HG2 . 16564 1 245 . 1 1 19 19 ILE C C 13 174.6 0.2 . 1 . . . . 19 ILE C . 16564 1 246 . 1 1 19 19 ILE CA C 13 57.7 0.2 . 1 . . . . 19 ILE CA . 16564 1 247 . 1 1 19 19 ILE CB C 13 41.1 0.2 . 1 . . . . 19 ILE CB . 16564 1 248 . 1 1 19 19 ILE CD1 C 13 13.8 0.2 . 1 . . . . 19 ILE CD1 . 16564 1 249 . 1 1 19 19 ILE CG1 C 13 27.9 0.2 . 1 . . . . 19 ILE CG1 . 16564 1 250 . 1 1 19 19 ILE CG2 C 13 17.7 0.2 . 1 . . . . 19 ILE CG2 . 16564 1 251 . 1 1 19 19 ILE N N 15 125.3 0.2 . 1 . . . . 19 ILE N . 16564 1 252 . 1 1 20 20 SER H H 1 8.79 0.02 . 1 . . . . 20 SER H . 16564 1 253 . 1 1 20 20 SER HA H 1 4.64 0.02 . 1 . . . . 20 SER HA . 16564 1 254 . 1 1 20 20 SER HB2 H 1 3.61 0.02 . 2 . . . . 20 SER HB2 . 16564 1 255 . 1 1 20 20 SER HB3 H 1 3.64 0.02 . 2 . . . . 20 SER HB3 . 16564 1 256 . 1 1 20 20 SER C C 13 174.4 0.2 . 1 . . . . 20 SER C . 16564 1 257 . 1 1 20 20 SER CA C 13 56.6 0.2 . 1 . . . . 20 SER CA . 16564 1 258 . 1 1 20 20 SER CB C 13 64.6 0.2 . 1 . . . . 20 SER CB . 16564 1 259 . 1 1 20 20 SER N N 15 117.1 0.2 . 1 . . . . 20 SER N . 16564 1 260 . 1 1 21 21 LEU H H 1 8.71 0.02 . 1 . . . . 21 LEU H . 16564 1 261 . 1 1 21 21 LEU HA H 1 4.56 0.02 . 1 . . . . 21 LEU HA . 16564 1 262 . 1 1 21 21 LEU HB2 H 1 1.68 0.02 . 2 . . . . 21 LEU HB2 . 16564 1 263 . 1 1 21 21 LEU HB3 H 1 1.96 0.02 . 2 . . . . 21 LEU HB3 . 16564 1 264 . 1 1 21 21 LEU HD11 H 1 0.98 0.02 . 1 . . . . 21 LEU HD1 . 16564 1 265 . 1 1 21 21 LEU HD12 H 1 0.98 0.02 . 1 . . . . 21 LEU HD1 . 16564 1 266 . 1 1 21 21 LEU HD13 H 1 0.98 0.02 . 1 . . . . 21 LEU HD1 . 16564 1 267 . 1 1 21 21 LEU HD21 H 1 0.98 0.02 . 1 . . . . 21 LEU HD2 . 16564 1 268 . 1 1 21 21 LEU HD22 H 1 0.98 0.02 . 1 . . . . 21 LEU HD2 . 16564 1 269 . 1 1 21 21 LEU HD23 H 1 0.98 0.02 . 1 . . . . 21 LEU HD2 . 16564 1 270 . 1 1 21 21 LEU HG H 1 1.70 0.02 . 1 . . . . 21 LEU HG . 16564 1 271 . 1 1 21 21 LEU C C 13 178.7 0.2 . 1 . . . . 21 LEU C . 16564 1 272 . 1 1 21 21 LEU CA C 13 53.9 0.2 . 1 . . . . 21 LEU CA . 16564 1 273 . 1 1 21 21 LEU CB C 13 42.3 0.2 . 1 . . . . 21 LEU CB . 16564 1 274 . 1 1 21 21 LEU CD1 C 13 25.6 0.2 . 1 . . . . 21 LEU CD1 . 16564 1 275 . 1 1 21 21 LEU CD2 C 13 22.9 0.2 . 1 . . . . 21 LEU CD2 . 16564 1 276 . 1 1 21 21 LEU CG C 13 27.3 0.2 . 1 . . . . 21 LEU CG . 16564 1 277 . 1 1 21 21 LEU N N 15 124.6 0.2 . 1 . . . . 21 LEU N . 16564 1 278 . 1 1 22 22 GLN H H 1 8.88 0.02 . 1 . . . . 22 GLN H . 16564 1 279 . 1 1 22 22 GLN HA H 1 4.02 0.02 . 1 . . . . 22 GLN HA . 16564 1 280 . 1 1 22 22 GLN HB2 H 1 2.05 0.02 . 2 . . . . 22 GLN HB2 . 16564 1 281 . 1 1 22 22 GLN HB3 H 1 2.08 0.02 . 2 . . . . 22 GLN HB3 . 16564 1 282 . 1 1 22 22 GLN HE21 H 1 6.88 0.02 . 2 . . . . 22 GLN HE21 . 16564 1 283 . 1 1 22 22 GLN HE22 H 1 7.59 0.02 . 2 . . . . 22 GLN HE22 . 16564 1 284 . 1 1 22 22 GLN HG2 H 1 2.37 0.02 . 2 . . . . 22 GLN HG2 . 16564 1 285 . 1 1 22 22 GLN HG3 H 1 2.40 0.02 . 2 . . . . 22 GLN HG3 . 16564 1 286 . 1 1 22 22 GLN C C 13 176.5 0.2 . 1 . . . . 22 GLN C . 16564 1 287 . 1 1 22 22 GLN CA C 13 58.5 0.2 . 1 . . . . 22 GLN CA . 16564 1 288 . 1 1 22 22 GLN CB C 13 28.3 0.2 . 1 . . . . 22 GLN CB . 16564 1 289 . 1 1 22 22 GLN CD C 13 180.4 0.2 . 1 . . . . 22 GLN CD . 16564 1 290 . 1 1 22 22 GLN CG C 13 33.9 0.2 . 1 . . . . 22 GLN CG . 16564 1 291 . 1 1 22 22 GLN N N 15 121.0 0.2 . 1 . . . . 22 GLN N . 16564 1 292 . 1 1 22 22 GLN NE2 N 15 112.7 0.2 . 1 . . . . 22 GLN NE2 . 16564 1 293 . 1 1 23 23 ASN H H 1 8.12 0.02 . 1 . . . . 23 ASN H . 16564 1 294 . 1 1 23 23 ASN HA H 1 4.59 0.02 . 1 . . . . 23 ASN HA . 16564 1 295 . 1 1 23 23 ASN HB2 H 1 2.81 0.02 . 2 . . . . 23 ASN HB2 . 16564 1 296 . 1 1 23 23 ASN HB3 H 1 3.04 0.02 . 2 . . . . 23 ASN HB3 . 16564 1 297 . 1 1 23 23 ASN HD21 H 1 6.81 0.02 . 2 . . . . 23 ASN HD21 . 16564 1 298 . 1 1 23 23 ASN HD22 H 1 7.51 0.02 . 2 . . . . 23 ASN HD22 . 16564 1 299 . 1 1 23 23 ASN C C 13 175.7 0.2 . 1 . . . . 23 ASN C . 16564 1 300 . 1 1 23 23 ASN CA C 13 53.0 0.2 . 1 . . . . 23 ASN CA . 16564 1 301 . 1 1 23 23 ASN CB C 13 38.0 0.2 . 1 . . . . 23 ASN CB . 16564 1 302 . 1 1 23 23 ASN CG C 13 177.1 0.2 . 1 . . . . 23 ASN CG . 16564 1 303 . 1 1 23 23 ASN N N 15 115.1 0.2 . 1 . . . . 23 ASN N . 16564 1 304 . 1 1 23 23 ASN ND2 N 15 110.9 0.2 . 1 . . . . 23 ASN ND2 . 16564 1 305 . 1 1 24 24 GLY H H 1 8.08 0.02 . 1 . . . . 24 GLY H . 16564 1 306 . 1 1 24 24 GLY HA2 H 1 3.79 0.02 . 2 . . . . 24 GLY HA2 . 16564 1 307 . 1 1 24 24 GLY HA3 H 1 4.10 0.02 . 2 . . . . 24 GLY HA3 . 16564 1 308 . 1 1 24 24 GLY C C 13 173.2 0.2 . 1 . . . . 24 GLY C . 16564 1 309 . 1 1 24 24 GLY CA C 13 44.8 0.2 . 1 . . . . 24 GLY CA . 16564 1 310 . 1 1 24 24 GLY N N 15 108.2 0.2 . 1 . . . . 24 GLY N . 16564 1 311 . 1 1 25 25 ALA H H 1 7.89 0.02 . 1 . . . . 25 ALA H . 16564 1 312 . 1 1 25 25 ALA HA H 1 4.57 0.02 . 1 . . . . 25 ALA HA . 16564 1 313 . 1 1 25 25 ALA HB1 H 1 1.37 0.02 . 1 . . . . 25 ALA HB . 16564 1 314 . 1 1 25 25 ALA HB2 H 1 1.37 0.02 . 1 . . . . 25 ALA HB . 16564 1 315 . 1 1 25 25 ALA HB3 H 1 1.37 0.02 . 1 . . . . 25 ALA HB . 16564 1 316 . 1 1 25 25 ALA CA C 13 50.3 0.2 . 1 . . . . 25 ALA CA . 16564 1 317 . 1 1 25 25 ALA CB C 13 18.4 0.2 . 1 . . . . 25 ALA CB . 16564 1 318 . 1 1 25 25 ALA N N 15 124.8 0.2 . 1 . . . . 25 ALA N . 16564 1 319 . 1 1 26 26 PRO HA H 1 4.96 0.02 . 1 . . . . 26 PRO HA . 16564 1 320 . 1 1 26 26 PRO HB2 H 1 1.66 0.02 . 2 . . . . 26 PRO HB2 . 16564 1 321 . 1 1 26 26 PRO HB3 H 1 2.10 0.02 . 2 . . . . 26 PRO HB3 . 16564 1 322 . 1 1 26 26 PRO HD2 H 1 3.63 0.02 . 2 . . . . 26 PRO HD2 . 16564 1 323 . 1 1 26 26 PRO HD3 H 1 3.81 0.02 . 2 . . . . 26 PRO HD3 . 16564 1 324 . 1 1 26 26 PRO HG2 H 1 1.96 0.02 . 2 . . . . 26 PRO HG2 . 16564 1 325 . 1 1 26 26 PRO HG3 H 1 2.04 0.02 . 2 . . . . 26 PRO HG3 . 16564 1 326 . 1 1 26 26 PRO C C 13 177.2 0.2 . 1 . . . . 26 PRO C . 16564 1 327 . 1 1 26 26 PRO CA C 13 62.3 0.2 . 1 . . . . 26 PRO CA . 16564 1 328 . 1 1 26 26 PRO CB C 13 32.7 0.2 . 1 . . . . 26 PRO CB . 16564 1 329 . 1 1 26 26 PRO CD C 13 50.1 0.2 . 1 . . . . 26 PRO CD . 16564 1 330 . 1 1 26 26 PRO CG C 13 27.5 0.2 . 1 . . . . 26 PRO CG . 16564 1 331 . 1 1 27 27 ARG H H 1 9.12 0.02 . 1 . . . . 27 ARG H . 16564 1 332 . 1 1 27 27 ARG HA H 1 4.41 0.02 . 1 . . . . 27 ARG HA . 16564 1 333 . 1 1 27 27 ARG HB2 H 1 1.44 0.02 . 2 . . . . 27 ARG HB2 . 16564 1 334 . 1 1 27 27 ARG HB3 H 1 1.49 0.02 . 2 . . . . 27 ARG HB3 . 16564 1 335 . 1 1 27 27 ARG HD2 H 1 2.87 0.02 . 2 . . . . 27 ARG HD2 . 16564 1 336 . 1 1 27 27 ARG HD3 H 1 3.05 0.02 . 2 . . . . 27 ARG HD3 . 16564 1 337 . 1 1 27 27 ARG HE H 1 6.99 0.02 . 1 . . . . 27 ARG HE . 16564 1 338 . 1 1 27 27 ARG HG2 H 1 1.04 0.02 . 2 . . . . 27 ARG HG2 . 16564 1 339 . 1 1 27 27 ARG HG3 H 1 1.31 0.02 . 2 . . . . 27 ARG HG3 . 16564 1 340 . 1 1 27 27 ARG C C 13 173.2 0.2 . 1 . . . . 27 ARG C . 16564 1 341 . 1 1 27 27 ARG CA C 13 54.9 0.2 . 1 . . . . 27 ARG CA . 16564 1 342 . 1 1 27 27 ARG CB C 13 32.7 0.2 . 1 . . . . 27 ARG CB . 16564 1 343 . 1 1 27 27 ARG CD C 13 42.7 0.2 . 1 . . . . 27 ARG CD . 16564 1 344 . 1 1 27 27 ARG CG C 13 26.9 0.2 . 1 . . . . 27 ARG CG . 16564 1 345 . 1 1 27 27 ARG CZ C 13 159.3 0.2 . 1 . . . . 27 ARG CZ . 16564 1 346 . 1 1 27 27 ARG N N 15 123.2 0.2 . 1 . . . . 27 ARG N . 16564 1 347 . 1 1 27 27 ARG NE N 15 83.8 0.2 . 1 . . . . 27 ARG NE . 16564 1 348 . 1 1 28 28 ILE H H 1 8.34 0.02 . 1 . . . . 28 ILE H . 16564 1 349 . 1 1 28 28 ILE HA H 1 4.61 0.02 . 1 . . . . 28 ILE HA . 16564 1 350 . 1 1 28 28 ILE HB H 1 1.56 0.02 . 1 . . . . 28 ILE HB . 16564 1 351 . 1 1 28 28 ILE HD11 H 1 0.81 0.02 . 1 . . . . 28 ILE HD1 . 16564 1 352 . 1 1 28 28 ILE HD12 H 1 0.81 0.02 . 1 . . . . 28 ILE HD1 . 16564 1 353 . 1 1 28 28 ILE HD13 H 1 0.81 0.02 . 1 . . . . 28 ILE HD1 . 16564 1 354 . 1 1 28 28 ILE HG12 H 1 1.11 0.02 . 2 . . . . 28 ILE HG12 . 16564 1 355 . 1 1 28 28 ILE HG13 H 1 1.44 0.02 . 2 . . . . 28 ILE HG13 . 16564 1 356 . 1 1 28 28 ILE HG21 H 1 0.78 0.02 . 1 . . . . 28 ILE HG2 . 16564 1 357 . 1 1 28 28 ILE HG22 H 1 0.78 0.02 . 1 . . . . 28 ILE HG2 . 16564 1 358 . 1 1 28 28 ILE HG23 H 1 0.78 0.02 . 1 . . . . 28 ILE HG2 . 16564 1 359 . 1 1 28 28 ILE C C 13 175.5 0.2 . 1 . . . . 28 ILE C . 16564 1 360 . 1 1 28 28 ILE CA C 13 60.9 0.2 . 1 . . . . 28 ILE CA . 16564 1 361 . 1 1 28 28 ILE CB C 13 39.6 0.2 . 1 . . . . 28 ILE CB . 16564 1 362 . 1 1 28 28 ILE CD1 C 13 13.8 0.2 . 1 . . . . 28 ILE CD1 . 16564 1 363 . 1 1 28 28 ILE CG1 C 13 28.3 0.2 . 1 . . . . 28 ILE CG1 . 16564 1 364 . 1 1 28 28 ILE CG2 C 13 18.5 0.2 . 1 . . . . 28 ILE CG2 . 16564 1 365 . 1 1 28 28 ILE N N 15 125.8 0.2 . 1 . . . . 28 ILE N . 16564 1 366 . 1 1 29 29 PHE H H 1 9.58 0.02 . 1 . . . . 29 PHE H . 16564 1 367 . 1 1 29 29 PHE HA H 1 4.62 0.02 . 1 . . . . 29 PHE HA . 16564 1 368 . 1 1 29 29 PHE HB2 H 1 2.84 0.02 . 2 . . . . 29 PHE HB2 . 16564 1 369 . 1 1 29 29 PHE HB3 H 1 3.35 0.02 . 2 . . . . 29 PHE HB3 . 16564 1 370 . 1 1 29 29 PHE HD1 H 1 7.11 0.02 . 3 . . . . 29 PHE HD1 . 16564 1 371 . 1 1 29 29 PHE HE1 H 1 6.94 0.02 . 3 . . . . 29 PHE HE1 . 16564 1 372 . 1 1 29 29 PHE HZ H 1 5.89 0.02 . 1 . . . . 29 PHE HZ . 16564 1 373 . 1 1 29 29 PHE C C 13 175.2 0.2 . 1 . . . . 29 PHE C . 16564 1 374 . 1 1 29 29 PHE CA C 13 57.5 0.2 . 1 . . . . 29 PHE CA . 16564 1 375 . 1 1 29 29 PHE CB C 13 42.0 0.2 . 1 . . . . 29 PHE CB . 16564 1 376 . 1 1 29 29 PHE CD1 C 13 131.2 0.2 . 3 . . . . 29 PHE CD1 . 16564 1 377 . 1 1 29 29 PHE CE1 C 13 131.1 0.2 . 3 . . . . 29 PHE CE1 . 16564 1 378 . 1 1 29 29 PHE CZ C 13 129.0 0.2 . 1 . . . . 29 PHE CZ . 16564 1 379 . 1 1 29 29 PHE N N 15 126.1 0.2 . 1 . . . . 29 PHE N . 16564 1 380 . 1 1 30 30 ASN H H 1 9.26 0.02 . 1 . . . . 30 ASN H . 16564 1 381 . 1 1 30 30 ASN HA H 1 4.99 0.02 . 1 . . . . 30 ASN HA . 16564 1 382 . 1 1 30 30 ASN HB2 H 1 2.73 0.02 . 2 . . . . 30 ASN HB2 . 16564 1 383 . 1 1 30 30 ASN HB3 H 1 2.88 0.02 . 2 . . . . 30 ASN HB3 . 16564 1 384 . 1 1 30 30 ASN HD21 H 1 6.65 0.02 . 2 . . . . 30 ASN HD21 . 16564 1 385 . 1 1 30 30 ASN HD22 H 1 7.93 0.02 . 2 . . . . 30 ASN HD22 . 16564 1 386 . 1 1 30 30 ASN C C 13 174.0 0.2 . 1 . . . . 30 ASN C . 16564 1 387 . 1 1 30 30 ASN CA C 13 53.6 0.2 . 1 . . . . 30 ASN CA . 16564 1 388 . 1 1 30 30 ASN CB C 13 41.2 0.2 . 1 . . . . 30 ASN CB . 16564 1 389 . 1 1 30 30 ASN CG C 13 176.8 0.2 . 1 . . . . 30 ASN CG . 16564 1 390 . 1 1 30 30 ASN N N 15 120.0 0.2 . 1 . . . . 30 ASN N . 16564 1 391 . 1 1 30 30 ASN ND2 N 15 113.6 0.2 . 1 . . . . 30 ASN ND2 . 16564 1 392 . 1 1 31 31 GLY H H 1 6.98 0.02 . 1 . . . . 31 GLY H . 16564 1 393 . 1 1 31 31 GLY HA2 H 1 2.97 0.02 . 2 . . . . 31 GLY HA2 . 16564 1 394 . 1 1 31 31 GLY HA3 H 1 3.72 0.02 . 2 . . . . 31 GLY HA3 . 16564 1 395 . 1 1 31 31 GLY C C 13 170.4 0.2 . 1 . . . . 31 GLY C . 16564 1 396 . 1 1 31 31 GLY CA C 13 44.9 0.2 . 1 . . . . 31 GLY CA . 16564 1 397 . 1 1 31 31 GLY N N 15 107.1 0.2 . 1 . . . . 31 GLY N . 16564 1 398 . 1 1 32 32 VAL H H 1 7.55 0.02 . 1 . . . . 32 VAL H . 16564 1 399 . 1 1 32 32 VAL HA H 1 2.95 0.02 . 1 . . . . 32 VAL HA . 16564 1 400 . 1 1 32 32 VAL HB H 1 1.73 0.02 . 1 . . . . 32 VAL HB . 16564 1 401 . 1 1 32 32 VAL HG11 H 1 0.95 0.02 . 1 . . . . 32 VAL HG1 . 16564 1 402 . 1 1 32 32 VAL HG12 H 1 0.95 0.02 . 1 . . . . 32 VAL HG1 . 16564 1 403 . 1 1 32 32 VAL HG13 H 1 0.95 0.02 . 1 . . . . 32 VAL HG1 . 16564 1 404 . 1 1 32 32 VAL HG21 H 1 1.07 0.02 . 1 . . . . 32 VAL HG2 . 16564 1 405 . 1 1 32 32 VAL HG22 H 1 1.07 0.02 . 1 . . . . 32 VAL HG2 . 16564 1 406 . 1 1 32 32 VAL HG23 H 1 1.07 0.02 . 1 . . . . 32 VAL HG2 . 16564 1 407 . 1 1 32 32 VAL C C 13 177.3 0.2 . 1 . . . . 32 VAL C . 16564 1 408 . 1 1 32 32 VAL CA C 13 65.8 0.2 . 1 . . . . 32 VAL CA . 16564 1 409 . 1 1 32 32 VAL CB C 13 32.8 0.2 . 1 . . . . 32 VAL CB . 16564 1 410 . 1 1 32 32 VAL CG1 C 13 23.9 0.2 . 1 . . . . 32 VAL CG1 . 16564 1 411 . 1 1 32 32 VAL CG2 C 13 24.1 0.2 . 1 . . . . 32 VAL CG2 . 16564 1 412 . 1 1 32 32 VAL N N 15 114.7 0.2 . 1 . . . . 32 VAL N . 16564 1 413 . 1 1 33 33 TYR H H 1 9.61 0.02 . 1 . . . . 33 TYR H . 16564 1 414 . 1 1 33 33 TYR HA H 1 3.96 0.02 . 1 . . . . 33 TYR HA . 16564 1 415 . 1 1 33 33 TYR HB2 H 1 2.89 0.02 . 2 . . . . 33 TYR HB2 . 16564 1 416 . 1 1 33 33 TYR HB3 H 1 2.97 0.02 . 2 . . . . 33 TYR HB3 . 16564 1 417 . 1 1 33 33 TYR HD1 H 1 6.99 0.02 . 3 . . . . 33 TYR HD1 . 16564 1 418 . 1 1 33 33 TYR HE1 H 1 6.82 0.02 . 3 . . . . 33 TYR HE1 . 16564 1 419 . 1 1 33 33 TYR C C 13 177.9 0.2 . 1 . . . . 33 TYR C . 16564 1 420 . 1 1 33 33 TYR CA C 13 63.5 0.2 . 1 . . . . 33 TYR CA . 16564 1 421 . 1 1 33 33 TYR CB C 13 37.3 0.2 . 1 . . . . 33 TYR CB . 16564 1 422 . 1 1 33 33 TYR CD1 C 13 133.1 0.2 . 3 . . . . 33 TYR CD1 . 16564 1 423 . 1 1 33 33 TYR CE1 C 13 118.2 0.2 . 3 . . . . 33 TYR CE1 . 16564 1 424 . 1 1 33 33 TYR N N 15 122.1 0.2 . 1 . . . . 33 TYR N . 16564 1 425 . 1 1 34 34 GLU H H 1 8.89 0.02 . 1 . . . . 34 GLU H . 16564 1 426 . 1 1 34 34 GLU HA H 1 4.06 0.02 . 1 . . . . 34 GLU HA . 16564 1 427 . 1 1 34 34 GLU HB2 H 1 2.12 0.02 . 2 . . . . 34 GLU HB2 . 16564 1 428 . 1 1 34 34 GLU HB3 H 1 2.17 0.02 . 2 . . . . 34 GLU HB3 . 16564 1 429 . 1 1 34 34 GLU HG2 H 1 2.47 0.02 . 2 . . . . 34 GLU HG2 . 16564 1 430 . 1 1 34 34 GLU HG3 H 1 2.50 0.02 . 2 . . . . 34 GLU HG3 . 16564 1 431 . 1 1 34 34 GLU C C 13 179.8 0.2 . 1 . . . . 34 GLU C . 16564 1 432 . 1 1 34 34 GLU CA C 13 59.1 0.2 . 1 . . . . 34 GLU CA . 16564 1 433 . 1 1 34 34 GLU CB C 13 30.0 0.2 . 1 . . . . 34 GLU CB . 16564 1 434 . 1 1 34 34 GLU CG C 13 36.8 0.2 . 1 . . . . 34 GLU CG . 16564 1 435 . 1 1 34 34 GLU N N 15 117.3 0.2 . 1 . . . . 34 GLU N . 16564 1 436 . 1 1 35 35 ALA H H 1 7.11 0.02 . 1 . . . . 35 ALA H . 16564 1 437 . 1 1 35 35 ALA HA H 1 3.57 0.02 . 1 . . . . 35 ALA HA . 16564 1 438 . 1 1 35 35 ALA HB1 H 1 0.60 0.02 . 1 . . . . 35 ALA HB . 16564 1 439 . 1 1 35 35 ALA HB2 H 1 0.60 0.02 . 1 . . . . 35 ALA HB . 16564 1 440 . 1 1 35 35 ALA HB3 H 1 0.60 0.02 . 1 . . . . 35 ALA HB . 16564 1 441 . 1 1 35 35 ALA C C 13 177.7 0.2 . 1 . . . . 35 ALA C . 16564 1 442 . 1 1 35 35 ALA CA C 13 55.4 0.2 . 1 . . . . 35 ALA CA . 16564 1 443 . 1 1 35 35 ALA CB C 13 17.9 0.2 . 1 . . . . 35 ALA CB . 16564 1 444 . 1 1 35 35 ALA N N 15 122.7 0.2 . 1 . . . . 35 ALA N . 16564 1 445 . 1 1 36 36 PHE H H 1 9.09 0.02 . 1 . . . . 36 PHE H . 16564 1 446 . 1 1 36 36 PHE HA H 1 4.13 0.02 . 1 . . . . 36 PHE HA . 16564 1 447 . 1 1 36 36 PHE HB2 H 1 2.86 0.02 . 2 . . . . 36 PHE HB2 . 16564 1 448 . 1 1 36 36 PHE HB3 H 1 3.16 0.02 . 2 . . . . 36 PHE HB3 . 16564 1 449 . 1 1 36 36 PHE HD1 H 1 6.95 0.02 . 3 . . . . 36 PHE HD1 . 16564 1 450 . 1 1 36 36 PHE HE1 H 1 7.22 0.02 . 3 . . . . 36 PHE HE1 . 16564 1 451 . 1 1 36 36 PHE HZ H 1 7.14 0.02 . 1 . . . . 36 PHE HZ . 16564 1 452 . 1 1 36 36 PHE C C 13 177.2 0.2 . 1 . . . . 36 PHE C . 16564 1 453 . 1 1 36 36 PHE CA C 13 60.2 0.2 . 1 . . . . 36 PHE CA . 16564 1 454 . 1 1 36 36 PHE CB C 13 39.8 0.2 . 1 . . . . 36 PHE CB . 16564 1 455 . 1 1 36 36 PHE CD1 C 13 131.3 0.2 . 3 . . . . 36 PHE CD1 . 16564 1 456 . 1 1 36 36 PHE CE1 C 13 131.4 0.2 . 3 . . . . 36 PHE CE1 . 16564 1 457 . 1 1 36 36 PHE CZ C 13 129.7 0.2 . 1 . . . . 36 PHE CZ . 16564 1 458 . 1 1 36 36 PHE N N 15 119.3 0.2 . 1 . . . . 36 PHE N . 16564 1 459 . 1 1 37 37 ASP H H 1 8.27 0.02 . 1 . . . . 37 ASP H . 16564 1 460 . 1 1 37 37 ASP HA H 1 4.07 0.02 . 1 . . . . 37 ASP HA . 16564 1 461 . 1 1 37 37 ASP HB2 H 1 2.49 0.02 . 2 . . . . 37 ASP HB2 . 16564 1 462 . 1 1 37 37 ASP HB3 H 1 2.71 0.02 . 2 . . . . 37 ASP HB3 . 16564 1 463 . 1 1 37 37 ASP C C 13 177.6 0.2 . 1 . . . . 37 ASP C . 16564 1 464 . 1 1 37 37 ASP CA C 13 57.8 0.2 . 1 . . . . 37 ASP CA . 16564 1 465 . 1 1 37 37 ASP CB C 13 42.1 0.2 . 1 . . . . 37 ASP CB . 16564 1 466 . 1 1 37 37 ASP N N 15 119.1 0.2 . 1 . . . . 37 ASP N . 16564 1 467 . 1 1 38 38 PHE H H 1 7.81 0.02 . 1 . . . . 38 PHE H . 16564 1 468 . 1 1 38 38 PHE HA H 1 4.41 0.02 . 1 . . . . 38 PHE HA . 16564 1 469 . 1 1 38 38 PHE HB2 H 1 3.33 0.02 . 2 . . . . 38 PHE HB2 . 16564 1 470 . 1 1 38 38 PHE HB3 H 1 3.59 0.02 . 2 . . . . 38 PHE HB3 . 16564 1 471 . 1 1 38 38 PHE HD1 H 1 7.47 0.02 . 3 . . . . 38 PHE HD1 . 16564 1 472 . 1 1 38 38 PHE HE1 H 1 7.41 0.02 . 3 . . . . 38 PHE HE1 . 16564 1 473 . 1 1 38 38 PHE HZ H 1 7.22 0.02 . 1 . . . . 38 PHE HZ . 16564 1 474 . 1 1 38 38 PHE C C 13 178.2 0.2 . 1 . . . . 38 PHE C . 16564 1 475 . 1 1 38 38 PHE CA C 13 62.1 0.2 . 1 . . . . 38 PHE CA . 16564 1 476 . 1 1 38 38 PHE CB C 13 41.4 0.2 . 1 . . . . 38 PHE CB . 16564 1 477 . 1 1 38 38 PHE CD1 C 13 132.3 0.2 . 3 . . . . 38 PHE CD1 . 16564 1 478 . 1 1 38 38 PHE CE1 C 13 132.0 0.2 . 3 . . . . 38 PHE CE1 . 16564 1 479 . 1 1 38 38 PHE CZ C 13 130.4 0.2 . 1 . . . . 38 PHE CZ . 16564 1 480 . 1 1 38 38 PHE N N 15 121.0 0.2 . 1 . . . . 38 PHE N . 16564 1 481 . 1 1 39 39 LEU H H 1 8.97 0.02 . 1 . . . . 39 LEU H . 16564 1 482 . 1 1 39 39 LEU HA H 1 3.89 0.02 . 1 . . . . 39 LEU HA . 16564 1 483 . 1 1 39 39 LEU HB2 H 1 0.79 0.02 . 2 . . . . 39 LEU HB2 . 16564 1 484 . 1 1 39 39 LEU HB3 H 1 1.99 0.02 . 2 . . . . 39 LEU HB3 . 16564 1 485 . 1 1 39 39 LEU HD11 H 1 0.70 0.02 . 1 . . . . 39 LEU HD1 . 16564 1 486 . 1 1 39 39 LEU HD12 H 1 0.70 0.02 . 1 . . . . 39 LEU HD1 . 16564 1 487 . 1 1 39 39 LEU HD13 H 1 0.70 0.02 . 1 . . . . 39 LEU HD1 . 16564 1 488 . 1 1 39 39 LEU HD21 H 1 0.01 0.02 . 1 . . . . 39 LEU HD2 . 16564 1 489 . 1 1 39 39 LEU HD22 H 1 0.01 0.02 . 1 . . . . 39 LEU HD2 . 16564 1 490 . 1 1 39 39 LEU HD23 H 1 0.01 0.02 . 1 . . . . 39 LEU HD2 . 16564 1 491 . 1 1 39 39 LEU HG H 1 1.92 0.02 . 1 . . . . 39 LEU HG . 16564 1 492 . 1 1 39 39 LEU C C 13 179.2 0.2 . 1 . . . . 39 LEU C . 16564 1 493 . 1 1 39 39 LEU CA C 13 58.0 0.2 . 1 . . . . 39 LEU CA . 16564 1 494 . 1 1 39 39 LEU CB C 13 44.0 0.2 . 1 . . . . 39 LEU CB . 16564 1 495 . 1 1 39 39 LEU CD1 C 13 28.4 0.2 . 1 . . . . 39 LEU CD1 . 16564 1 496 . 1 1 39 39 LEU CD2 C 13 23.4 0.2 . 1 . . . . 39 LEU CD2 . 16564 1 497 . 1 1 39 39 LEU CG C 13 26.9 0.2 . 1 . . . . 39 LEU CG . 16564 1 498 . 1 1 39 39 LEU N N 15 117.8 0.2 . 1 . . . . 39 LEU N . 16564 1 499 . 1 1 40 40 GLN H H 1 7.64 0.02 . 1 . . . . 40 GLN H . 16564 1 500 . 1 1 40 40 GLN HA H 1 3.89 0.02 . 1 . . . . 40 GLN HA . 16564 1 501 . 1 1 40 40 GLN HB2 H 1 1.02 0.02 . 2 . . . . 40 GLN HB2 . 16564 1 502 . 1 1 40 40 GLN HB3 H 1 1.21 0.02 . 2 . . . . 40 GLN HB3 . 16564 1 503 . 1 1 40 40 GLN HE21 H 1 5.82 0.02 . 2 . . . . 40 GLN HE21 . 16564 1 504 . 1 1 40 40 GLN HE22 H 1 6.22 0.02 . 2 . . . . 40 GLN HE22 . 16564 1 505 . 1 1 40 40 GLN HG2 H 1 1.47 0.02 . 2 . . . . 40 GLN HG2 . 16564 1 506 . 1 1 40 40 GLN HG3 H 1 1.58 0.02 . 2 . . . . 40 GLN HG3 . 16564 1 507 . 1 1 40 40 GLN C C 13 177.7 0.2 . 1 . . . . 40 GLN C . 16564 1 508 . 1 1 40 40 GLN CA C 13 58.1 0.2 . 1 . . . . 40 GLN CA . 16564 1 509 . 1 1 40 40 GLN CB C 13 30.7 0.2 . 1 . . . . 40 GLN CB . 16564 1 510 . 1 1 40 40 GLN CD C 13 179.4 0.2 . 1 . . . . 40 GLN CD . 16564 1 511 . 1 1 40 40 GLN CG C 13 34.4 0.2 . 1 . . . . 40 GLN CG . 16564 1 512 . 1 1 40 40 GLN N N 15 114.3 0.2 . 1 . . . . 40 GLN N . 16564 1 513 . 1 1 40 40 GLN NE2 N 15 110.3 0.2 . 1 . . . . 40 GLN NE2 . 16564 1 514 . 1 1 41 41 HIS H H 1 7.78 0.02 . 1 . . . . 41 HIS H . 16564 1 515 . 1 1 41 41 HIS HA H 1 4.91 0.02 . 1 . . . . 41 HIS HA . 16564 1 516 . 1 1 41 41 HIS HB2 H 1 3.06 0.02 . 2 . . . . 41 HIS HB2 . 16564 1 517 . 1 1 41 41 HIS HB3 H 1 3.22 0.02 . 2 . . . . 41 HIS HB3 . 16564 1 518 . 1 1 41 41 HIS HD2 H 1 7.17 0.02 . 1 . . . . 41 HIS HD2 . 16564 1 519 . 1 1 41 41 HIS C C 13 176.2 0.2 . 1 . . . . 41 HIS C . 16564 1 520 . 1 1 41 41 HIS CA C 13 57.9 0.2 . 1 . . . . 41 HIS CA . 16564 1 521 . 1 1 41 41 HIS CB C 13 32.5 0.2 . 1 . . . . 41 HIS CB . 16564 1 522 . 1 1 41 41 HIS CD2 C 13 122.4 0.2 . 1 . . . . 41 HIS CD2 . 16564 1 523 . 1 1 41 41 HIS N N 15 113.5 0.2 . 1 . . . . 41 HIS N . 16564 1 524 . 1 1 42 42 GLU H H 1 8.40 0.02 . 1 . . . . 42 GLU H . 16564 1 525 . 1 1 42 42 GLU HA H 1 4.55 0.02 . 1 . . . . 42 GLU HA . 16564 1 526 . 1 1 42 42 GLU HB2 H 1 1.31 0.02 . 2 . . . . 42 GLU HB2 . 16564 1 527 . 1 1 42 42 GLU HB3 H 1 2.09 0.02 . 2 . . . . 42 GLU HB3 . 16564 1 528 . 1 1 42 42 GLU HG2 H 1 2.10 0.02 . 2 . . . . 42 GLU HG2 . 16564 1 529 . 1 1 42 42 GLU HG3 H 1 2.12 0.02 . 2 . . . . 42 GLU HG3 . 16564 1 530 . 1 1 42 42 GLU C C 13 174.3 0.2 . 1 . . . . 42 GLU C . 16564 1 531 . 1 1 42 42 GLU CA C 13 55.1 0.2 . 1 . . . . 42 GLU CA . 16564 1 532 . 1 1 42 42 GLU CB C 13 32.6 0.2 . 1 . . . . 42 GLU CB . 16564 1 533 . 1 1 42 42 GLU CG C 13 37.5 0.2 . 1 . . . . 42 GLU CG . 16564 1 534 . 1 1 42 42 GLU N N 15 119.4 0.2 . 1 . . . . 42 GLU N . 16564 1 535 . 1 1 43 43 TRP H H 1 7.51 0.02 . 1 . . . . 43 TRP H . 16564 1 536 . 1 1 43 43 TRP HA H 1 4.39 0.02 . 1 . . . . 43 TRP HA . 16564 1 537 . 1 1 43 43 TRP HB2 H 1 2.99 0.02 . 2 . . . . 43 TRP HB2 . 16564 1 538 . 1 1 43 43 TRP HB3 H 1 3.39 0.02 . 2 . . . . 43 TRP HB3 . 16564 1 539 . 1 1 43 43 TRP HD1 H 1 6.76 0.02 . 1 . . . . 43 TRP HD1 . 16564 1 540 . 1 1 43 43 TRP HE1 H 1 10.60 0.02 . 1 . . . . 43 TRP HE1 . 16564 1 541 . 1 1 43 43 TRP HE3 H 1 7.53 0.02 . 1 . . . . 43 TRP HE3 . 16564 1 542 . 1 1 43 43 TRP HH2 H 1 6.83 0.02 . 1 . . . . 43 TRP HH2 . 16564 1 543 . 1 1 43 43 TRP HZ2 H 1 7.19 0.02 . 1 . . . . 43 TRP HZ2 . 16564 1 544 . 1 1 43 43 TRP HZ3 H 1 7.06 0.02 . 1 . . . . 43 TRP HZ3 . 16564 1 545 . 1 1 43 43 TRP CA C 13 54.7 0.2 . 1 . . . . 43 TRP CA . 16564 1 546 . 1 1 43 43 TRP CB C 13 30.8 0.2 . 1 . . . . 43 TRP CB . 16564 1 547 . 1 1 43 43 TRP CD1 C 13 126.9 0.2 . 1 . . . . 43 TRP CD1 . 16564 1 548 . 1 1 43 43 TRP CE3 C 13 120.3 0.2 . 1 . . . . 43 TRP CE3 . 16564 1 549 . 1 1 43 43 TRP CH2 C 13 124.9 0.2 . 1 . . . . 43 TRP CH2 . 16564 1 550 . 1 1 43 43 TRP CZ2 C 13 114.9 0.2 . 1 . . . . 43 TRP CZ2 . 16564 1 551 . 1 1 43 43 TRP CZ3 C 13 122.2 0.2 . 1 . . . . 43 TRP CZ3 . 16564 1 552 . 1 1 43 43 TRP N N 15 123.4 0.2 . 1 . . . . 43 TRP N . 16564 1 553 . 1 1 43 43 TRP NE1 N 15 129.7 0.2 . 1 . . . . 43 TRP NE1 . 16564 1 554 . 1 1 44 44 PRO HA H 1 4.34 0.02 . 1 . . . . 44 PRO HA . 16564 1 555 . 1 1 44 44 PRO HB2 H 1 1.91 0.02 . 2 . . . . 44 PRO HB2 . 16564 1 556 . 1 1 44 44 PRO HB3 H 1 1.97 0.02 . 2 . . . . 44 PRO HB3 . 16564 1 557 . 1 1 44 44 PRO HD2 H 1 2.11 0.02 . 2 . . . . 44 PRO HD2 . 16564 1 558 . 1 1 44 44 PRO HD3 H 1 3.28 0.02 . 2 . . . . 44 PRO HD3 . 16564 1 559 . 1 1 44 44 PRO HG2 H 1 1.14 0.02 . 2 . . . . 44 PRO HG2 . 16564 1 560 . 1 1 44 44 PRO HG3 H 1 1.16 0.02 . 2 . . . . 44 PRO HG3 . 16564 1 561 . 1 1 44 44 PRO C C 13 174.7 0.2 . 1 . . . . 44 PRO C . 16564 1 562 . 1 1 44 44 PRO CA C 13 63.8 0.2 . 1 . . . . 44 PRO CA . 16564 1 563 . 1 1 44 44 PRO CB C 13 31.5 0.2 . 1 . . . . 44 PRO CB . 16564 1 564 . 1 1 44 44 PRO CD C 13 50.2 0.2 . 1 . . . . 44 PRO CD . 16564 1 565 . 1 1 44 44 PRO CG C 13 26.8 0.2 . 1 . . . . 44 PRO CG . 16564 1 566 . 1 1 45 45 ALA H H 1 6.60 0.02 . 1 . . . . 45 ALA H . 16564 1 567 . 1 1 45 45 ALA HA H 1 4.56 0.02 . 1 . . . . 45 ALA HA . 16564 1 568 . 1 1 45 45 ALA HB1 H 1 1.25 0.02 . 1 . . . . 45 ALA HB . 16564 1 569 . 1 1 45 45 ALA HB2 H 1 1.25 0.02 . 1 . . . . 45 ALA HB . 16564 1 570 . 1 1 45 45 ALA HB3 H 1 1.25 0.02 . 1 . . . . 45 ALA HB . 16564 1 571 . 1 1 45 45 ALA C C 13 175.9 0.2 . 1 . . . . 45 ALA C . 16564 1 572 . 1 1 45 45 ALA CA C 13 50.6 0.2 . 1 . . . . 45 ALA CA . 16564 1 573 . 1 1 45 45 ALA CB C 13 21.4 0.2 . 1 . . . . 45 ALA CB . 16564 1 574 . 1 1 45 45 ALA N N 15 122.5 0.2 . 1 . . . . 45 ALA N . 16564 1 575 . 1 1 46 46 ARG H H 1 8.31 0.02 . 1 . . . . 46 ARG H . 16564 1 576 . 1 1 46 46 ARG HA H 1 4.04 0.02 . 1 . . . . 46 ARG HA . 16564 1 577 . 1 1 46 46 ARG HB2 H 1 1.72 0.02 . 2 . . . . 46 ARG HB2 . 16564 1 578 . 1 1 46 46 ARG HB3 H 1 1.77 0.02 . 2 . . . . 46 ARG HB3 . 16564 1 579 . 1 1 46 46 ARG HG2 H 1 1.56 0.02 . 2 . . . . 46 ARG HG2 . 16564 1 580 . 1 1 46 46 ARG HG3 H 1 1.66 0.02 . 2 . . . . 46 ARG HG3 . 16564 1 581 . 1 1 46 46 ARG C C 13 177.4 0.2 . 1 . . . . 46 ARG C . 16564 1 582 . 1 1 46 46 ARG CA C 13 56.6 0.2 . 1 . . . . 46 ARG CA . 16564 1 583 . 1 1 46 46 ARG CB C 13 30.4 0.2 . 1 . . . . 46 ARG CB . 16564 1 584 . 1 1 46 46 ARG CD C 13 43.4 0.2 . 1 . . . . 46 ARG CD . 16564 1 585 . 1 1 46 46 ARG CG C 13 27.2 0.2 . 1 . . . . 46 ARG CG . 16564 1 586 . 1 1 46 46 ARG N N 15 120.0 0.2 . 1 . . . . 46 ARG N . 16564 1 587 . 1 1 47 47 GLY H H 1 8.80 0.02 . 1 . . . . 47 GLY H . 16564 1 588 . 1 1 47 47 GLY HA2 H 1 3.69 0.02 . 2 . . . . 47 GLY HA2 . 16564 1 589 . 1 1 47 47 GLY HA3 H 1 3.82 0.02 . 2 . . . . 47 GLY HA3 . 16564 1 590 . 1 1 47 47 GLY C C 13 173.6 0.2 . 1 . . . . 47 GLY C . 16564 1 591 . 1 1 47 47 GLY CA C 13 46.2 0.2 . 1 . . . . 47 GLY CA . 16564 1 592 . 1 1 47 47 GLY N N 15 112.2 0.2 . 1 . . . . 47 GLY N . 16564 1 593 . 1 1 48 48 ASP H H 1 7.88 0.02 . 1 . . . . 48 ASP H . 16564 1 594 . 1 1 48 48 ASP HA H 1 4.78 0.02 . 1 . . . . 48 ASP HA . 16564 1 595 . 1 1 48 48 ASP HB2 H 1 2.82 0.02 . 2 . . . . 48 ASP HB2 . 16564 1 596 . 1 1 48 48 ASP HB3 H 1 3.08 0.02 . 2 . . . . 48 ASP HB3 . 16564 1 597 . 1 1 48 48 ASP CA C 13 53.0 0.2 . 1 . . . . 48 ASP CA . 16564 1 598 . 1 1 48 48 ASP CB C 13 42.6 0.2 . 1 . . . . 48 ASP CB . 16564 1 599 . 1 1 48 48 ASP N N 15 123.5 0.2 . 1 . . . . 48 ASP N . 16564 1 600 . 1 1 49 49 ARG HA H 1 4.14 0.02 . 1 . . . . 49 ARG HA . 16564 1 601 . 1 1 49 49 ARG HB2 H 1 1.86 0.02 . 2 . . . . 49 ARG HB2 . 16564 1 602 . 1 1 49 49 ARG HB3 H 1 1.91 0.02 . 2 . . . . 49 ARG HB3 . 16564 1 603 . 1 1 49 49 ARG C C 13 178.4 0.2 . 1 . . . . 49 ARG C . 16564 1 604 . 1 1 49 49 ARG CA C 13 59.3 0.2 . 1 . . . . 49 ARG CA . 16564 1 605 . 1 1 49 49 ARG CB C 13 29.7 0.2 . 1 . . . . 49 ARG CB . 16564 1 606 . 1 1 49 49 ARG CD C 13 43.0 0.2 . 1 . . . . 49 ARG CD . 16564 1 607 . 1 1 49 49 ARG CG C 13 26.9 0.2 . 1 . . . . 49 ARG CG . 16564 1 608 . 1 1 50 50 ALA H H 1 8.33 0.02 . 1 . . . . 50 ALA H . 16564 1 609 . 1 1 50 50 ALA HA H 1 4.15 0.02 . 1 . . . . 50 ALA HA . 16564 1 610 . 1 1 50 50 ALA HB1 H 1 1.44 0.02 . 1 . . . . 50 ALA HB . 16564 1 611 . 1 1 50 50 ALA HB2 H 1 1.44 0.02 . 1 . . . . 50 ALA HB . 16564 1 612 . 1 1 50 50 ALA HB3 H 1 1.44 0.02 . 1 . . . . 50 ALA HB . 16564 1 613 . 1 1 50 50 ALA C C 13 181.0 0.2 . 1 . . . . 50 ALA C . 16564 1 614 . 1 1 50 50 ALA CA C 13 55.2 0.2 . 1 . . . . 50 ALA CA . 16564 1 615 . 1 1 50 50 ALA CB C 13 17.7 0.2 . 1 . . . . 50 ALA CB . 16564 1 616 . 1 1 50 50 ALA N N 15 121.8 0.2 . 1 . . . . 50 ALA N . 16564 1 617 . 1 1 51 51 HIS H H 1 8.37 0.02 . 1 . . . . 51 HIS H . 16564 1 618 . 1 1 51 51 HIS HA H 1 3.58 0.02 . 1 . . . . 51 HIS HA . 16564 1 619 . 1 1 51 51 HIS HB2 H 1 3.17 0.02 . 2 . . . . 51 HIS HB2 . 16564 1 620 . 1 1 51 51 HIS HB3 H 1 3.32 0.02 . 2 . . . . 51 HIS HB3 . 16564 1 621 . 1 1 51 51 HIS HE1 H 1 7.49 0.02 . 1 . . . . 51 HIS HE1 . 16564 1 622 . 1 1 51 51 HIS C C 13 175.8 0.2 . 1 . . . . 51 HIS C . 16564 1 623 . 1 1 51 51 HIS CA C 13 61.0 0.2 . 1 . . . . 51 HIS CA . 16564 1 624 . 1 1 51 51 HIS CB C 13 31.3 0.2 . 1 . . . . 51 HIS CB . 16564 1 625 . 1 1 51 51 HIS CE1 C 13 138.2 0.2 . 1 . . . . 51 HIS CE1 . 16564 1 626 . 1 1 51 51 HIS N N 15 123.0 0.2 . 1 . . . . 51 HIS N . 16564 1 627 . 1 1 52 52 GLU H H 1 8.02 0.02 . 1 . . . . 52 GLU H . 16564 1 628 . 1 1 52 52 GLU HA H 1 3.69 0.02 . 1 . . . . 52 GLU HA . 16564 1 629 . 1 1 52 52 GLU HB2 H 1 2.11 0.02 . 2 . . . . 52 GLU HB2 . 16564 1 630 . 1 1 52 52 GLU HB3 H 1 2.17 0.02 . 2 . . . . 52 GLU HB3 . 16564 1 631 . 1 1 52 52 GLU HG2 H 1 2.18 0.02 . 2 . . . . 52 GLU HG2 . 16564 1 632 . 1 1 52 52 GLU HG3 H 1 2.34 0.02 . 2 . . . . 52 GLU HG3 . 16564 1 633 . 1 1 52 52 GLU C C 13 179.4 0.2 . 1 . . . . 52 GLU C . 16564 1 634 . 1 1 52 52 GLU CA C 13 59.5 0.2 . 1 . . . . 52 GLU CA . 16564 1 635 . 1 1 52 52 GLU CB C 13 29.4 0.2 . 1 . . . . 52 GLU CB . 16564 1 636 . 1 1 52 52 GLU CG C 13 36.0 0.2 . 1 . . . . 52 GLU CG . 16564 1 637 . 1 1 52 52 GLU N N 15 119.2 0.2 . 1 . . . . 52 GLU N . 16564 1 638 . 1 1 53 53 GLN H H 1 8.23 0.02 . 1 . . . . 53 GLN H . 16564 1 639 . 1 1 53 53 GLN HA H 1 4.04 0.02 . 1 . . . . 53 GLN HA . 16564 1 640 . 1 1 53 53 GLN HB2 H 1 2.02 0.02 . 2 . . . . 53 GLN HB2 . 16564 1 641 . 1 1 53 53 GLN HB3 H 1 2.10 0.02 . 2 . . . . 53 GLN HB3 . 16564 1 642 . 1 1 53 53 GLN HE21 H 1 6.88 0.02 . 2 . . . . 53 GLN HE21 . 16564 1 643 . 1 1 53 53 GLN HE22 H 1 7.45 0.02 . 2 . . . . 53 GLN HE22 . 16564 1 644 . 1 1 53 53 GLN HG2 H 1 2.37 0.02 . 2 . . . . 53 GLN HG2 . 16564 1 645 . 1 1 53 53 GLN HG3 H 1 2.39 0.02 . 2 . . . . 53 GLN HG3 . 16564 1 646 . 1 1 53 53 GLN C C 13 177.5 0.2 . 1 . . . . 53 GLN C . 16564 1 647 . 1 1 53 53 GLN CA C 13 58.6 0.2 . 1 . . . . 53 GLN CA . 16564 1 648 . 1 1 53 53 GLN CB C 13 28.7 0.2 . 1 . . . . 53 GLN CB . 16564 1 649 . 1 1 53 53 GLN CD C 13 179.8 0.2 . 1 . . . . 53 GLN CD . 16564 1 650 . 1 1 53 53 GLN CG C 13 33.8 0.2 . 1 . . . . 53 GLN CG . 16564 1 651 . 1 1 53 53 GLN N N 15 118.0 0.2 . 1 . . . . 53 GLN N . 16564 1 652 . 1 1 53 53 GLN NE2 N 15 111.9 0.2 . 1 . . . . 53 GLN NE2 . 16564 1 653 . 1 1 54 54 ALA H H 1 7.94 0.02 . 1 . . . . 54 ALA H . 16564 1 654 . 1 1 54 54 ALA HA H 1 3.98 0.02 . 1 . . . . 54 ALA HA . 16564 1 655 . 1 1 54 54 ALA HB1 H 1 1.27 0.02 . 1 . . . . 54 ALA HB . 16564 1 656 . 1 1 54 54 ALA HB2 H 1 1.27 0.02 . 1 . . . . 54 ALA HB . 16564 1 657 . 1 1 54 54 ALA HB3 H 1 1.27 0.02 . 1 . . . . 54 ALA HB . 16564 1 658 . 1 1 54 54 ALA C C 13 179.2 0.2 . 1 . . . . 54 ALA C . 16564 1 659 . 1 1 54 54 ALA CA C 13 55.3 0.2 . 1 . . . . 54 ALA CA . 16564 1 660 . 1 1 54 54 ALA CB C 13 17.8 0.2 . 1 . . . . 54 ALA CB . 16564 1 661 . 1 1 54 54 ALA N N 15 120.9 0.2 . 1 . . . . 54 ALA N . 16564 1 662 . 1 1 55 55 LEU H H 1 8.36 0.02 . 1 . . . . 55 LEU H . 16564 1 663 . 1 1 55 55 LEU HA H 1 3.75 0.02 . 1 . . . . 55 LEU HA . 16564 1 664 . 1 1 55 55 LEU HB2 H 1 1.47 0.02 . 2 . . . . 55 LEU HB2 . 16564 1 665 . 1 1 55 55 LEU HB3 H 1 1.51 0.02 . 2 . . . . 55 LEU HB3 . 16564 1 666 . 1 1 55 55 LEU HD11 H 1 0.52 0.02 . 1 . . . . 55 LEU HD1 . 16564 1 667 . 1 1 55 55 LEU HD12 H 1 0.52 0.02 . 1 . . . . 55 LEU HD1 . 16564 1 668 . 1 1 55 55 LEU HD13 H 1 0.52 0.02 . 1 . . . . 55 LEU HD1 . 16564 1 669 . 1 1 55 55 LEU HD21 H 1 0.61 0.02 . 1 . . . . 55 LEU HD2 . 16564 1 670 . 1 1 55 55 LEU HD22 H 1 0.61 0.02 . 1 . . . . 55 LEU HD2 . 16564 1 671 . 1 1 55 55 LEU HD23 H 1 0.61 0.02 . 1 . . . . 55 LEU HD2 . 16564 1 672 . 1 1 55 55 LEU HG H 1 1.17 0.02 . 1 . . . . 55 LEU HG . 16564 1 673 . 1 1 55 55 LEU C C 13 178.5 0.2 . 1 . . . . 55 LEU C . 16564 1 674 . 1 1 55 55 LEU CA C 13 59.0 0.2 . 1 . . . . 55 LEU CA . 16564 1 675 . 1 1 55 55 LEU CB C 13 42.4 0.2 . 1 . . . . 55 LEU CB . 16564 1 676 . 1 1 55 55 LEU CD1 C 13 26.0 0.2 . 1 . . . . 55 LEU CD1 . 16564 1 677 . 1 1 55 55 LEU CD2 C 13 26.0 0.2 . 1 . . . . 55 LEU CD2 . 16564 1 678 . 1 1 55 55 LEU CG C 13 26.9 0.2 . 1 . . . . 55 LEU CG . 16564 1 679 . 1 1 55 55 LEU N N 15 120.5 0.2 . 1 . . . . 55 LEU N . 16564 1 680 . 1 1 56 56 ARG H H 1 7.90 0.02 . 1 . . . . 56 ARG H . 16564 1 681 . 1 1 56 56 ARG HA H 1 3.91 0.02 . 1 . . . . 56 ARG HA . 16564 1 682 . 1 1 56 56 ARG HB2 H 1 1.87 0.02 . 2 . . . . 56 ARG HB2 . 16564 1 683 . 1 1 56 56 ARG HB3 H 1 1.90 0.02 . 2 . . . . 56 ARG HB3 . 16564 1 684 . 1 1 56 56 ARG HG2 H 1 1.50 0.02 . 2 . . . . 56 ARG HG2 . 16564 1 685 . 1 1 56 56 ARG HG3 H 1 1.71 0.02 . 2 . . . . 56 ARG HG3 . 16564 1 686 . 1 1 56 56 ARG C C 13 179.9 0.2 . 1 . . . . 56 ARG C . 16564 1 687 . 1 1 56 56 ARG CA C 13 59.4 0.2 . 1 . . . . 56 ARG CA . 16564 1 688 . 1 1 56 56 ARG CB C 13 30.3 0.2 . 1 . . . . 56 ARG CB . 16564 1 689 . 1 1 56 56 ARG CD C 13 43.1 0.2 . 1 . . . . 56 ARG CD . 16564 1 690 . 1 1 56 56 ARG CG C 13 27.5 0.2 . 1 . . . . 56 ARG CG . 16564 1 691 . 1 1 56 56 ARG N N 15 118.0 0.2 . 1 . . . . 56 ARG N . 16564 1 692 . 1 1 57 57 LEU H H 1 8.53 0.02 . 1 . . . . 57 LEU H . 16564 1 693 . 1 1 57 57 LEU HA H 1 4.15 0.02 . 1 . . . . 57 LEU HA . 16564 1 694 . 1 1 57 57 LEU HB2 H 1 1.09 0.02 . 2 . . . . 57 LEU HB2 . 16564 1 695 . 1 1 57 57 LEU HB3 H 1 1.81 0.02 . 2 . . . . 57 LEU HB3 . 16564 1 696 . 1 1 57 57 LEU HD11 H 1 0.77 0.02 . 1 . . . . 57 LEU HD1 . 16564 1 697 . 1 1 57 57 LEU HD12 H 1 0.77 0.02 . 1 . . . . 57 LEU HD1 . 16564 1 698 . 1 1 57 57 LEU HD13 H 1 0.77 0.02 . 1 . . . . 57 LEU HD1 . 16564 1 699 . 1 1 57 57 LEU HD21 H 1 0.81 0.02 . 1 . . . . 57 LEU HD2 . 16564 1 700 . 1 1 57 57 LEU HD22 H 1 0.81 0.02 . 1 . . . . 57 LEU HD2 . 16564 1 701 . 1 1 57 57 LEU HD23 H 1 0.81 0.02 . 1 . . . . 57 LEU HD2 . 16564 1 702 . 1 1 57 57 LEU HG H 1 1.74 0.02 . 1 . . . . 57 LEU HG . 16564 1 703 . 1 1 57 57 LEU C C 13 179.4 0.2 . 1 . . . . 57 LEU C . 16564 1 704 . 1 1 57 57 LEU CA C 13 57.7 0.2 . 1 . . . . 57 LEU CA . 16564 1 705 . 1 1 57 57 LEU CB C 13 41.9 0.2 . 1 . . . . 57 LEU CB . 16564 1 706 . 1 1 57 57 LEU CD1 C 13 26.2 0.2 . 1 . . . . 57 LEU CD1 . 16564 1 707 . 1 1 57 57 LEU CD2 C 13 22.9 0.2 . 1 . . . . 57 LEU CD2 . 16564 1 708 . 1 1 57 57 LEU CG C 13 27.7 0.2 . 1 . . . . 57 LEU CG . 16564 1 709 . 1 1 57 57 LEU N N 15 119.6 0.2 . 1 . . . . 57 LEU N . 16564 1 710 . 1 1 58 58 CYS H H 1 8.60 0.02 . 1 . . . . 58 CYS H . 16564 1 711 . 1 1 58 58 CYS HA H 1 4.06 0.02 . 1 . . . . 58 CYS HA . 16564 1 712 . 1 1 58 58 CYS HB2 H 1 2.29 0.02 . 2 . . . . 58 CYS HB2 . 16564 1 713 . 1 1 58 58 CYS HB3 H 1 3.21 0.02 . 2 . . . . 58 CYS HB3 . 16564 1 714 . 1 1 58 58 CYS C C 13 176.2 0.2 . 1 . . . . 58 CYS C . 16564 1 715 . 1 1 58 58 CYS CA C 13 64.9 0.2 . 1 . . . . 58 CYS CA . 16564 1 716 . 1 1 58 58 CYS CB C 13 27.4 0.2 . 1 . . . . 58 CYS CB . 16564 1 717 . 1 1 58 58 CYS N N 15 117.2 0.2 . 1 . . . . 58 CYS N . 16564 1 718 . 1 1 59 59 ARG H H 1 7.84 0.02 . 1 . . . . 59 ARG H . 16564 1 719 . 1 1 59 59 ARG HA H 1 3.10 0.02 . 1 . . . . 59 ARG HA . 16564 1 720 . 1 1 59 59 ARG HB2 H 1 1.72 0.02 . 2 . . . . 59 ARG HB2 . 16564 1 721 . 1 1 59 59 ARG HB3 H 1 1.76 0.02 . 2 . . . . 59 ARG HB3 . 16564 1 722 . 1 1 59 59 ARG HG2 H 1 1.35 0.02 . 2 . . . . 59 ARG HG2 . 16564 1 723 . 1 1 59 59 ARG HG3 H 1 1.38 0.02 . 2 . . . . 59 ARG HG3 . 16564 1 724 . 1 1 59 59 ARG C C 13 177.5 0.2 . 1 . . . . 59 ARG C . 16564 1 725 . 1 1 59 59 ARG CA C 13 59.9 0.2 . 1 . . . . 59 ARG CA . 16564 1 726 . 1 1 59 59 ARG CB C 13 29.7 0.2 . 1 . . . . 59 ARG CB . 16564 1 727 . 1 1 59 59 ARG CD C 13 42.8 0.2 . 1 . . . . 59 ARG CD . 16564 1 728 . 1 1 59 59 ARG CG C 13 27.5 0.2 . 1 . . . . 59 ARG CG . 16564 1 729 . 1 1 59 59 ARG N N 15 119.7 0.2 . 1 . . . . 59 ARG N . 16564 1 730 . 1 1 60 60 ALA H H 1 7.92 0.02 . 1 . . . . 60 ALA H . 16564 1 731 . 1 1 60 60 ALA HA H 1 4.15 0.02 . 1 . . . . 60 ALA HA . 16564 1 732 . 1 1 60 60 ALA HB1 H 1 1.44 0.02 . 1 . . . . 60 ALA HB . 16564 1 733 . 1 1 60 60 ALA HB2 H 1 1.44 0.02 . 1 . . . . 60 ALA HB . 16564 1 734 . 1 1 60 60 ALA HB3 H 1 1.44 0.02 . 1 . . . . 60 ALA HB . 16564 1 735 . 1 1 60 60 ALA C C 13 180.1 0.2 . 1 . . . . 60 ALA C . 16564 1 736 . 1 1 60 60 ALA CA C 13 54.6 0.2 . 1 . . . . 60 ALA CA . 16564 1 737 . 1 1 60 60 ALA CB C 13 19.0 0.2 . 1 . . . . 60 ALA CB . 16564 1 738 . 1 1 60 60 ALA N N 15 118.2 0.2 . 1 . . . . 60 ALA N . 16564 1 739 . 1 1 61 61 SER H H 1 8.14 0.02 . 1 . . . . 61 SER H . 16564 1 740 . 1 1 61 61 SER HA H 1 4.75 0.02 . 1 . . . . 61 SER HA . 16564 1 741 . 1 1 61 61 SER HB2 H 1 3.81 0.02 . 2 . . . . 61 SER HB2 . 16564 1 742 . 1 1 61 61 SER HB3 H 1 3.89 0.02 . 2 . . . . 61 SER HB3 . 16564 1 743 . 1 1 61 61 SER C C 13 179.4 0.2 . 1 . . . . 61 SER C . 16564 1 744 . 1 1 61 61 SER CA C 13 61.0 0.2 . 1 . . . . 61 SER CA . 16564 1 745 . 1 1 61 61 SER CB C 13 64.3 0.2 . 1 . . . . 61 SER CB . 16564 1 746 . 1 1 61 61 SER N N 15 115.0 0.2 . 1 . . . . 61 SER N . 16564 1 747 . 1 1 62 62 LEU H H 1 7.85 0.02 . 1 . . . . 62 LEU H . 16564 1 748 . 1 1 62 62 LEU HA H 1 4.13 0.02 . 1 . . . . 62 LEU HA . 16564 1 749 . 1 1 62 62 LEU HB2 H 1 1.38 0.02 . 2 . . . . 62 LEU HB2 . 16564 1 750 . 1 1 62 62 LEU HB3 H 1 1.82 0.02 . 2 . . . . 62 LEU HB3 . 16564 1 751 . 1 1 62 62 LEU HD11 H 1 0.42 0.02 . 1 . . . . 62 LEU HD1 . 16564 1 752 . 1 1 62 62 LEU HD12 H 1 0.42 0.02 . 1 . . . . 62 LEU HD1 . 16564 1 753 . 1 1 62 62 LEU HD13 H 1 0.42 0.02 . 1 . . . . 62 LEU HD1 . 16564 1 754 . 1 1 62 62 LEU HD21 H 1 0.77 0.02 . 1 . . . . 62 LEU HD2 . 16564 1 755 . 1 1 62 62 LEU HD22 H 1 0.77 0.02 . 1 . . . . 62 LEU HD2 . 16564 1 756 . 1 1 62 62 LEU HD23 H 1 0.77 0.02 . 1 . . . . 62 LEU HD2 . 16564 1 757 . 1 1 62 62 LEU HG H 1 1.69 0.02 . 1 . . . . 62 LEU HG . 16564 1 758 . 1 1 62 62 LEU C C 13 178.0 0.2 . 1 . . . . 62 LEU C . 16564 1 759 . 1 1 62 62 LEU CA C 13 57.4 0.2 . 1 . . . . 62 LEU CA . 16564 1 760 . 1 1 62 62 LEU CB C 13 41.2 0.2 . 1 . . . . 62 LEU CB . 16564 1 761 . 1 1 62 62 LEU CD1 C 13 26.2 0.2 . 1 . . . . 62 LEU CD1 . 16564 1 762 . 1 1 62 62 LEU CD2 C 13 22.8 0.2 . 1 . . . . 62 LEU CD2 . 16564 1 763 . 1 1 62 62 LEU CG C 13 26.6 0.2 . 1 . . . . 62 LEU CG . 16564 1 764 . 1 1 62 62 LEU N N 15 121.8 0.2 . 1 . . . . 62 LEU N . 16564 1 765 . 1 1 63 63 MET H H 1 7.49 0.02 . 1 . . . . 63 MET H . 16564 1 766 . 1 1 63 63 MET HA H 1 4.49 0.02 . 1 . . . . 63 MET HA . 16564 1 767 . 1 1 63 63 MET HB2 H 1 2.04 0.02 . 2 . . . . 63 MET HB2 . 16564 1 768 . 1 1 63 63 MET HB3 H 1 2.27 0.02 . 2 . . . . 63 MET HB3 . 16564 1 769 . 1 1 63 63 MET HE1 H 1 2.04 0.02 . 1 . . . . 63 MET HE . 16564 1 770 . 1 1 63 63 MET HE2 H 1 2.04 0.02 . 1 . . . . 63 MET HE . 16564 1 771 . 1 1 63 63 MET HE3 H 1 2.04 0.02 . 1 . . . . 63 MET HE . 16564 1 772 . 1 1 63 63 MET HG2 H 1 2.54 0.02 . 2 . . . . 63 MET HG2 . 16564 1 773 . 1 1 63 63 MET HG3 H 1 2.64 0.02 . 2 . . . . 63 MET HG3 . 16564 1 774 . 1 1 63 63 MET C C 13 176.5 0.2 . 1 . . . . 63 MET C . 16564 1 775 . 1 1 63 63 MET CA C 13 55.3 0.2 . 1 . . . . 63 MET CA . 16564 1 776 . 1 1 63 63 MET CB C 13 32.6 0.2 . 1 . . . . 63 MET CB . 16564 1 777 . 1 1 63 63 MET CE C 13 16.6 0.2 . 1 . . . . 63 MET CE . 16564 1 778 . 1 1 63 63 MET CG C 13 32.0 0.2 . 1 . . . . 63 MET CG . 16564 1 779 . 1 1 63 63 MET N N 15 114.3 0.2 . 1 . . . . 63 MET N . 16564 1 780 . 1 1 64 64 GLY H H 1 7.82 0.02 . 1 . . . . 64 GLY H . 16564 1 781 . 1 1 64 64 GLY HA2 H 1 3.85 0.02 . 2 . . . . 64 GLY HA2 . 16564 1 782 . 1 1 64 64 GLY HA3 H 1 4.25 0.02 . 2 . . . . 64 GLY HA3 . 16564 1 783 . 1 1 64 64 GLY C C 13 174.7 0.2 . 1 . . . . 64 GLY C . 16564 1 784 . 1 1 64 64 GLY CA C 13 45.2 0.2 . 1 . . . . 64 GLY CA . 16564 1 785 . 1 1 64 64 GLY N N 15 106.7 0.2 . 1 . . . . 64 GLY N . 16564 1 786 . 1 1 65 65 ASP H H 1 8.07 0.02 . 1 . . . . 65 ASP H . 16564 1 787 . 1 1 65 65 ASP HA H 1 4.65 0.02 . 1 . . . . 65 ASP HA . 16564 1 788 . 1 1 65 65 ASP HB2 H 1 2.46 0.02 . 2 . . . . 65 ASP HB2 . 16564 1 789 . 1 1 65 65 ASP HB3 H 1 2.70 0.02 . 2 . . . . 65 ASP HB3 . 16564 1 790 . 1 1 65 65 ASP C C 13 175.8 0.2 . 1 . . . . 65 ASP C . 16564 1 791 . 1 1 65 65 ASP CA C 13 56.1 0.2 . 1 . . . . 65 ASP CA . 16564 1 792 . 1 1 65 65 ASP CB C 13 42.7 0.2 . 1 . . . . 65 ASP CB . 16564 1 793 . 1 1 65 65 ASP N N 15 118.7 0.2 . 1 . . . . 65 ASP N . 16564 1 794 . 1 1 66 66 VAL H H 1 6.73 0.02 . 1 . . . . 66 VAL H . 16564 1 795 . 1 1 66 66 VAL HA H 1 4.36 0.02 . 1 . . . . 66 VAL HA . 16564 1 796 . 1 1 66 66 VAL HB H 1 1.69 0.02 . 1 . . . . 66 VAL HB . 16564 1 797 . 1 1 66 66 VAL HG11 H 1 0.92 0.02 . 1 . . . . 66 VAL HG1 . 16564 1 798 . 1 1 66 66 VAL HG12 H 1 0.92 0.02 . 1 . . . . 66 VAL HG1 . 16564 1 799 . 1 1 66 66 VAL HG13 H 1 0.92 0.02 . 1 . . . . 66 VAL HG1 . 16564 1 800 . 1 1 66 66 VAL HG21 H 1 0.81 0.02 . 1 . . . . 66 VAL HG2 . 16564 1 801 . 1 1 66 66 VAL HG22 H 1 0.81 0.02 . 1 . . . . 66 VAL HG2 . 16564 1 802 . 1 1 66 66 VAL HG23 H 1 0.81 0.02 . 1 . . . . 66 VAL HG2 . 16564 1 803 . 1 1 66 66 VAL C C 13 174.7 0.2 . 1 . . . . 66 VAL C . 16564 1 804 . 1 1 66 66 VAL CA C 13 59.7 0.2 . 1 . . . . 66 VAL CA . 16564 1 805 . 1 1 66 66 VAL CB C 13 36.3 0.2 . 1 . . . . 66 VAL CB . 16564 1 806 . 1 1 66 66 VAL CG1 C 13 21.5 0.2 . 1 . . . . 66 VAL CG1 . 16564 1 807 . 1 1 66 66 VAL CG2 C 13 22.0 0.2 . 1 . . . . 66 VAL CG2 . 16564 1 808 . 1 1 66 66 VAL N N 15 114.1 0.2 . 1 . . . . 66 VAL N . 16564 1 809 . 1 1 67 67 ALA H H 1 8.67 0.02 . 1 . . . . 67 ALA H . 16564 1 810 . 1 1 67 67 ALA HA H 1 4.34 0.02 . 1 . . . . 67 ALA HA . 16564 1 811 . 1 1 67 67 ALA HB1 H 1 1.61 0.02 . 1 . . . . 67 ALA HB . 16564 1 812 . 1 1 67 67 ALA HB2 H 1 1.61 0.02 . 1 . . . . 67 ALA HB . 16564 1 813 . 1 1 67 67 ALA HB3 H 1 1.61 0.02 . 1 . . . . 67 ALA HB . 16564 1 814 . 1 1 67 67 ALA C C 13 179.0 0.2 . 1 . . . . 67 ALA C . 16564 1 815 . 1 1 67 67 ALA CA C 13 52.5 0.2 . 1 . . . . 67 ALA CA . 16564 1 816 . 1 1 67 67 ALA CB C 13 19.2 0.2 . 1 . . . . 67 ALA CB . 16564 1 817 . 1 1 67 67 ALA N N 15 129.0 0.2 . 1 . . . . 67 ALA N . 16564 1 818 . 1 1 68 68 GLY H H 1 9.25 0.02 . 1 . . . . 68 GLY H . 16564 1 819 . 1 1 68 68 GLY HA2 H 1 3.99 0.02 . 2 . . . . 68 GLY HA2 . 16564 1 820 . 1 1 68 68 GLY HA3 H 1 4.17 0.02 . 2 . . . . 68 GLY HA3 . 16564 1 821 . 1 1 68 68 GLY C C 13 177.4 0.2 . 1 . . . . 68 GLY C . 16564 1 822 . 1 1 68 68 GLY CA C 13 48.0 0.2 . 1 . . . . 68 GLY CA . 16564 1 823 . 1 1 68 68 GLY N N 15 110.1 0.2 . 1 . . . . 68 GLY N . 16564 1 824 . 1 1 69 69 GLU H H 1 9.10 0.02 . 1 . . . . 69 GLU H . 16564 1 825 . 1 1 69 69 GLU HA H 1 3.94 0.02 . 1 . . . . 69 GLU HA . 16564 1 826 . 1 1 69 69 GLU HB2 H 1 1.98 0.02 . 2 . . . . 69 GLU HB2 . 16564 1 827 . 1 1 69 69 GLU HB3 H 1 2.06 0.02 . 2 . . . . 69 GLU HB3 . 16564 1 828 . 1 1 69 69 GLU C C 13 178.0 0.2 . 1 . . . . 69 GLU C . 16564 1 829 . 1 1 69 69 GLU CA C 13 59.0 0.2 . 1 . . . . 69 GLU CA . 16564 1 830 . 1 1 69 69 GLU CB C 13 29.3 0.2 . 1 . . . . 69 GLU CB . 16564 1 831 . 1 1 69 69 GLU N N 15 120.5 0.2 . 1 . . . . 69 GLU N . 16564 1 832 . 1 1 70 70 ILE H H 1 7.22 0.02 . 1 . . . . 70 ILE H . 16564 1 833 . 1 1 70 70 ILE HA H 1 3.84 0.02 . 1 . . . . 70 ILE HA . 16564 1 834 . 1 1 70 70 ILE HB H 1 2.20 0.02 . 1 . . . . 70 ILE HB . 16564 1 835 . 1 1 70 70 ILE HD11 H 1 0.88 0.02 . 1 . . . . 70 ILE HD1 . 16564 1 836 . 1 1 70 70 ILE HD12 H 1 0.88 0.02 . 1 . . . . 70 ILE HD1 . 16564 1 837 . 1 1 70 70 ILE HD13 H 1 0.88 0.02 . 1 . . . . 70 ILE HD1 . 16564 1 838 . 1 1 70 70 ILE HG12 H 1 1.32 0.02 . 2 . . . . 70 ILE HG12 . 16564 1 839 . 1 1 70 70 ILE HG13 H 1 1.62 0.02 . 2 . . . . 70 ILE HG13 . 16564 1 840 . 1 1 70 70 ILE HG21 H 1 0.91 0.02 . 1 . . . . 70 ILE HG2 . 16564 1 841 . 1 1 70 70 ILE HG22 H 1 0.91 0.02 . 1 . . . . 70 ILE HG2 . 16564 1 842 . 1 1 70 70 ILE HG23 H 1 0.91 0.02 . 1 . . . . 70 ILE HG2 . 16564 1 843 . 1 1 70 70 ILE C C 13 179.3 0.2 . 1 . . . . 70 ILE C . 16564 1 844 . 1 1 70 70 ILE CA C 13 63.3 0.2 . 1 . . . . 70 ILE CA . 16564 1 845 . 1 1 70 70 ILE CB C 13 36.6 0.2 . 1 . . . . 70 ILE CB . 16564 1 846 . 1 1 70 70 ILE CD1 C 13 11.5 0.2 . 1 . . . . 70 ILE CD1 . 16564 1 847 . 1 1 70 70 ILE CG1 C 13 28.6 0.2 . 1 . . . . 70 ILE CG1 . 16564 1 848 . 1 1 70 70 ILE CG2 C 13 18.1 0.2 . 1 . . . . 70 ILE CG2 . 16564 1 849 . 1 1 70 70 ILE N N 15 120.2 0.2 . 1 . . . . 70 ILE N . 16564 1 850 . 1 1 71 71 ALA H H 1 7.05 0.02 . 1 . . . . 71 ALA H . 16564 1 851 . 1 1 71 71 ALA HA H 1 3.99 0.02 . 1 . . . . 71 ALA HA . 16564 1 852 . 1 1 71 71 ALA HB1 H 1 1.80 0.02 . 1 . . . . 71 ALA HB . 16564 1 853 . 1 1 71 71 ALA HB2 H 1 1.80 0.02 . 1 . . . . 71 ALA HB . 16564 1 854 . 1 1 71 71 ALA HB3 H 1 1.80 0.02 . 1 . . . . 71 ALA HB . 16564 1 855 . 1 1 71 71 ALA C C 13 178.5 0.2 . 1 . . . . 71 ALA C . 16564 1 856 . 1 1 71 71 ALA CA C 13 55.5 0.2 . 1 . . . . 71 ALA CA . 16564 1 857 . 1 1 71 71 ALA CB C 13 18.5 0.2 . 1 . . . . 71 ALA CB . 16564 1 858 . 1 1 71 71 ALA N N 15 122.1 0.2 . 1 . . . . 71 ALA N . 16564 1 859 . 1 1 72 72 ARG H H 1 8.12 0.02 . 1 . . . . 72 ARG H . 16564 1 860 . 1 1 72 72 ARG HA H 1 3.08 0.02 . 1 . . . . 72 ARG HA . 16564 1 861 . 1 1 72 72 ARG HB2 H 1 -0.21 0.02 . 2 . . . . 72 ARG HB2 . 16564 1 862 . 1 1 72 72 ARG HB3 H 1 1.34 0.02 . 2 . . . . 72 ARG HB3 . 16564 1 863 . 1 1 72 72 ARG HD2 H 1 2.28 0.02 . 2 . . . . 72 ARG HD2 . 16564 1 864 . 1 1 72 72 ARG HD3 H 1 2.77 0.02 . 2 . . . . 72 ARG HD3 . 16564 1 865 . 1 1 72 72 ARG HE H 1 7.46 0.02 . 1 . . . . 72 ARG HE . 16564 1 866 . 1 1 72 72 ARG HG2 H 1 -0.74 0.02 . 2 . . . . 72 ARG HG2 . 16564 1 867 . 1 1 72 72 ARG HG3 H 1 0.84 0.02 . 2 . . . . 72 ARG HG3 . 16564 1 868 . 1 1 72 72 ARG C C 13 177.9 0.2 . 1 . . . . 72 ARG C . 16564 1 869 . 1 1 72 72 ARG CA C 13 60.0 0.2 . 1 . . . . 72 ARG CA . 16564 1 870 . 1 1 72 72 ARG CB C 13 28.3 0.2 . 1 . . . . 72 ARG CB . 16564 1 871 . 1 1 72 72 ARG CD C 13 43.2 0.2 . 1 . . . . 72 ARG CD . 16564 1 872 . 1 1 72 72 ARG CG C 13 25.7 0.2 . 1 . . . . 72 ARG CG . 16564 1 873 . 1 1 72 72 ARG CZ C 13 158.8 0.2 . 1 . . . . 72 ARG CZ . 16564 1 874 . 1 1 72 72 ARG N N 15 118.8 0.2 . 1 . . . . 72 ARG N . 16564 1 875 . 1 1 72 72 ARG NE N 15 85.2 0.2 . 1 . . . . 72 ARG NE . 16564 1 876 . 1 1 73 73 THR H H 1 8.09 0.02 . 1 . . . . 73 THR H . 16564 1 877 . 1 1 73 73 THR HA H 1 3.64 0.02 . 1 . . . . 73 THR HA . 16564 1 878 . 1 1 73 73 THR HB H 1 4.19 0.02 . 1 . . . . 73 THR HB . 16564 1 879 . 1 1 73 73 THR HG21 H 1 1.19 0.02 . 1 . . . . 73 THR HG2 . 16564 1 880 . 1 1 73 73 THR HG22 H 1 1.19 0.02 . 1 . . . . 73 THR HG2 . 16564 1 881 . 1 1 73 73 THR HG23 H 1 1.19 0.02 . 1 . . . . 73 THR HG2 . 16564 1 882 . 1 1 73 73 THR C C 13 176.4 0.2 . 1 . . . . 73 THR C . 16564 1 883 . 1 1 73 73 THR CA C 13 66.5 0.2 . 1 . . . . 73 THR CA . 16564 1 884 . 1 1 73 73 THR CB C 13 68.6 0.2 . 1 . . . . 73 THR CB . 16564 1 885 . 1 1 73 73 THR CG2 C 13 22.1 0.2 . 1 . . . . 73 THR CG2 . 16564 1 886 . 1 1 73 73 THR N N 15 116.2 0.2 . 1 . . . . 73 THR N . 16564 1 887 . 1 1 74 74 ALA H H 1 7.66 0.02 . 1 . . . . 74 ALA H . 16564 1 888 . 1 1 74 74 ALA HA H 1 4.23 0.02 . 1 . . . . 74 ALA HA . 16564 1 889 . 1 1 74 74 ALA HB1 H 1 1.51 0.02 . 1 . . . . 74 ALA HB . 16564 1 890 . 1 1 74 74 ALA HB2 H 1 1.51 0.02 . 1 . . . . 74 ALA HB . 16564 1 891 . 1 1 74 74 ALA HB3 H 1 1.51 0.02 . 1 . . . . 74 ALA HB . 16564 1 892 . 1 1 74 74 ALA C C 13 180.3 0.2 . 1 . . . . 74 ALA C . 16564 1 893 . 1 1 74 74 ALA CA C 13 54.9 0.2 . 1 . . . . 74 ALA CA . 16564 1 894 . 1 1 74 74 ALA CB C 13 19.1 0.2 . 1 . . . . 74 ALA CB . 16564 1 895 . 1 1 74 74 ALA N N 15 123.3 0.2 . 1 . . . . 74 ALA N . 16564 1 896 . 1 1 75 75 PHE H H 1 8.76 0.02 . 1 . . . . 75 PHE H . 16564 1 897 . 1 1 75 75 PHE HA H 1 4.13 0.02 . 1 . . . . 75 PHE HA . 16564 1 898 . 1 1 75 75 PHE HB2 H 1 3.03 0.02 . 2 . . . . 75 PHE HB2 . 16564 1 899 . 1 1 75 75 PHE HB3 H 1 3.20 0.02 . 2 . . . . 75 PHE HB3 . 16564 1 900 . 1 1 75 75 PHE HD1 H 1 6.97 0.02 . 3 . . . . 75 PHE HD1 . 16564 1 901 . 1 1 75 75 PHE HE1 H 1 7.03 0.02 . 3 . . . . 75 PHE HE1 . 16564 1 902 . 1 1 75 75 PHE HZ H 1 6.07 0.02 . 1 . . . . 75 PHE HZ . 16564 1 903 . 1 1 75 75 PHE C C 13 178.1 0.2 . 1 . . . . 75 PHE C . 16564 1 904 . 1 1 75 75 PHE CA C 13 61.7 0.2 . 1 . . . . 75 PHE CA . 16564 1 905 . 1 1 75 75 PHE CB C 13 39.6 0.2 . 1 . . . . 75 PHE CB . 16564 1 906 . 1 1 75 75 PHE CD1 C 13 131.0 0.2 . 3 . . . . 75 PHE CD1 . 16564 1 907 . 1 1 75 75 PHE CE1 C 13 131.2 0.2 . 3 . . . . 75 PHE CE1 . 16564 1 908 . 1 1 75 75 PHE CZ C 13 129.7 0.2 . 1 . . . . 75 PHE CZ . 16564 1 909 . 1 1 75 75 PHE N N 15 123.3 0.2 . 1 . . . . 75 PHE N . 16564 1 910 . 1 1 76 76 VAL H H 1 8.98 0.02 . 1 . . . . 76 VAL H . 16564 1 911 . 1 1 76 76 VAL HA H 1 3.21 0.02 . 1 . . . . 76 VAL HA . 16564 1 912 . 1 1 76 76 VAL HB H 1 2.11 0.02 . 1 . . . . 76 VAL HB . 16564 1 913 . 1 1 76 76 VAL HG11 H 1 0.89 0.02 . 1 . . . . 76 VAL HG1 . 16564 1 914 . 1 1 76 76 VAL HG12 H 1 0.89 0.02 . 1 . . . . 76 VAL HG1 . 16564 1 915 . 1 1 76 76 VAL HG13 H 1 0.89 0.02 . 1 . . . . 76 VAL HG1 . 16564 1 916 . 1 1 76 76 VAL HG21 H 1 0.92 0.02 . 1 . . . . 76 VAL HG2 . 16564 1 917 . 1 1 76 76 VAL HG22 H 1 0.92 0.02 . 1 . . . . 76 VAL HG2 . 16564 1 918 . 1 1 76 76 VAL HG23 H 1 0.92 0.02 . 1 . . . . 76 VAL HG2 . 16564 1 919 . 1 1 76 76 VAL C C 13 177.5 0.2 . 1 . . . . 76 VAL C . 16564 1 920 . 1 1 76 76 VAL CA C 13 67.5 0.2 . 1 . . . . 76 VAL CA . 16564 1 921 . 1 1 76 76 VAL CB C 13 31.7 0.2 . 1 . . . . 76 VAL CB . 16564 1 922 . 1 1 76 76 VAL CG1 C 13 21.4 0.2 . 1 . . . . 76 VAL CG1 . 16564 1 923 . 1 1 76 76 VAL CG2 C 13 24.3 0.2 . 1 . . . . 76 VAL CG2 . 16564 1 924 . 1 1 76 76 VAL N N 15 123.6 0.2 . 1 . . . . 76 VAL N . 16564 1 925 . 1 1 77 77 ALA H H 1 8.07 0.02 . 1 . . . . 77 ALA H . 16564 1 926 . 1 1 77 77 ALA HA H 1 4.08 0.02 . 1 . . . . 77 ALA HA . 16564 1 927 . 1 1 77 77 ALA HB1 H 1 1.49 0.02 . 1 . . . . 77 ALA HB . 16564 1 928 . 1 1 77 77 ALA HB2 H 1 1.49 0.02 . 1 . . . . 77 ALA HB . 16564 1 929 . 1 1 77 77 ALA HB3 H 1 1.49 0.02 . 1 . . . . 77 ALA HB . 16564 1 930 . 1 1 77 77 ALA C C 13 181.0 0.2 . 1 . . . . 77 ALA C . 16564 1 931 . 1 1 77 77 ALA CA C 13 55.3 0.2 . 1 . . . . 77 ALA CA . 16564 1 932 . 1 1 77 77 ALA CB C 13 17.8 0.2 . 1 . . . . 77 ALA CB . 16564 1 933 . 1 1 77 77 ALA N N 15 121.2 0.2 . 1 . . . . 77 ALA N . 16564 1 934 . 1 1 78 78 ALA H H 1 8.13 0.02 . 1 . . . . 78 ALA H . 16564 1 935 . 1 1 78 78 ALA HA H 1 4.03 0.02 . 1 . . . . 78 ALA HA . 16564 1 936 . 1 1 78 78 ALA HB1 H 1 1.28 0.02 . 1 . . . . 78 ALA HB . 16564 1 937 . 1 1 78 78 ALA HB2 H 1 1.28 0.02 . 1 . . . . 78 ALA HB . 16564 1 938 . 1 1 78 78 ALA HB3 H 1 1.28 0.02 . 1 . . . . 78 ALA HB . 16564 1 939 . 1 1 78 78 ALA C C 13 180.2 0.2 . 1 . . . . 78 ALA C . 16564 1 940 . 1 1 78 78 ALA CA C 13 55.3 0.2 . 1 . . . . 78 ALA CA . 16564 1 941 . 1 1 78 78 ALA CB C 13 17.2 0.2 . 1 . . . . 78 ALA CB . 16564 1 942 . 1 1 78 78 ALA N N 15 119.8 0.2 . 1 . . . . 78 ALA N . 16564 1 943 . 1 1 79 79 SER H H 1 8.27 0.02 . 1 . . . . 79 SER H . 16564 1 944 . 1 1 79 79 SER HA H 1 4.26 0.02 . 1 . . . . 79 SER HA . 16564 1 945 . 1 1 79 79 SER HB2 H 1 3.39 0.02 . 2 . . . . 79 SER HB2 . 16564 1 946 . 1 1 79 79 SER HB3 H 1 3.81 0.02 . 2 . . . . 79 SER HB3 . 16564 1 947 . 1 1 79 79 SER C C 13 175.8 0.2 . 1 . . . . 79 SER C . 16564 1 948 . 1 1 79 79 SER CA C 13 62.1 0.2 . 1 . . . . 79 SER CA . 16564 1 949 . 1 1 79 79 SER CB C 13 63.4 0.2 . 1 . . . . 79 SER CB . 16564 1 950 . 1 1 79 79 SER N N 15 116.8 0.2 . 1 . . . . 79 SER N . 16564 1 951 . 1 1 80 80 ARG H H 1 8.71 0.02 . 1 . . . . 80 ARG H . 16564 1 952 . 1 1 80 80 ARG HA H 1 4.03 0.02 . 1 . . . . 80 ARG HA . 16564 1 953 . 1 1 80 80 ARG HB2 H 1 1.86 0.02 . 2 . . . . 80 ARG HB2 . 16564 1 954 . 1 1 80 80 ARG HB3 H 1 1.90 0.02 . 2 . . . . 80 ARG HB3 . 16564 1 955 . 1 1 80 80 ARG HG2 H 1 1.71 0.02 . 2 . . . . 80 ARG HG2 . 16564 1 956 . 1 1 80 80 ARG HG3 H 1 1.75 0.02 . 2 . . . . 80 ARG HG3 . 16564 1 957 . 1 1 80 80 ARG C C 13 180.4 0.2 . 1 . . . . 80 ARG C . 16564 1 958 . 1 1 80 80 ARG CA C 13 59.6 0.2 . 1 . . . . 80 ARG CA . 16564 1 959 . 1 1 80 80 ARG CB C 13 30.0 0.2 . 1 . . . . 80 ARG CB . 16564 1 960 . 1 1 80 80 ARG CD C 13 43.0 0.2 . 1 . . . . 80 ARG CD . 16564 1 961 . 1 1 80 80 ARG CG C 13 27.5 0.2 . 1 . . . . 80 ARG CG . 16564 1 962 . 1 1 80 80 ARG N N 15 123.8 0.2 . 1 . . . . 80 ARG N . 16564 1 963 . 1 1 81 81 GLN H H 1 7.86 0.02 . 1 . . . . 81 GLN H . 16564 1 964 . 1 1 81 81 GLN HA H 1 3.99 0.02 . 1 . . . . 81 GLN HA . 16564 1 965 . 1 1 81 81 GLN HB2 H 1 2.09 0.02 . 2 . . . . 81 GLN HB2 . 16564 1 966 . 1 1 81 81 GLN HB3 H 1 2.26 0.02 . 2 . . . . 81 GLN HB3 . 16564 1 967 . 1 1 81 81 GLN HE21 H 1 7.01 0.02 . 2 . . . . 81 GLN HE21 . 16564 1 968 . 1 1 81 81 GLN HE22 H 1 7.63 0.02 . 2 . . . . 81 GLN HE22 . 16564 1 969 . 1 1 81 81 GLN HG2 H 1 2.52 0.02 . 2 . . . . 81 GLN HG2 . 16564 1 970 . 1 1 81 81 GLN HG3 H 1 2.54 0.02 . 2 . . . . 81 GLN HG3 . 16564 1 971 . 1 1 81 81 GLN C C 13 176.4 0.2 . 1 . . . . 81 GLN C . 16564 1 972 . 1 1 81 81 GLN CA C 13 58.3 0.2 . 1 . . . . 81 GLN CA . 16564 1 973 . 1 1 81 81 GLN CB C 13 28.4 0.2 . 1 . . . . 81 GLN CB . 16564 1 974 . 1 1 81 81 GLN CD C 13 179.7 0.2 . 1 . . . . 81 GLN CD . 16564 1 975 . 1 1 81 81 GLN CG C 13 33.8 0.2 . 1 . . . . 81 GLN CG . 16564 1 976 . 1 1 81 81 GLN N N 15 119.6 0.2 . 1 . . . . 81 GLN N . 16564 1 977 . 1 1 81 81 GLN NE2 N 15 112.9 0.2 . 1 . . . . 81 GLN NE2 . 16564 1 978 . 1 1 82 82 ALA H H 1 7.63 0.02 . 1 . . . . 82 ALA H . 16564 1 979 . 1 1 82 82 ALA HA H 1 4.26 0.02 . 1 . . . . 82 ALA HA . 16564 1 980 . 1 1 82 82 ALA HB1 H 1 1.30 0.02 . 1 . . . . 82 ALA HB . 16564 1 981 . 1 1 82 82 ALA HB2 H 1 1.30 0.02 . 1 . . . . 82 ALA HB . 16564 1 982 . 1 1 82 82 ALA HB3 H 1 1.30 0.02 . 1 . . . . 82 ALA HB . 16564 1 983 . 1 1 82 82 ALA C C 13 175.8 0.2 . 1 . . . . 82 ALA C . 16564 1 984 . 1 1 82 82 ALA CA C 13 51.7 0.2 . 1 . . . . 82 ALA CA . 16564 1 985 . 1 1 82 82 ALA CB C 13 19.2 0.2 . 1 . . . . 82 ALA CB . 16564 1 986 . 1 1 82 82 ALA N N 15 118.5 0.2 . 1 . . . . 82 ALA N . 16564 1 987 . 1 1 83 83 HIS H H 1 7.64 0.02 . 1 . . . . 83 HIS H . 16564 1 988 . 1 1 83 83 HIS HA H 1 4.37 0.02 . 1 . . . . 83 HIS HA . 16564 1 989 . 1 1 83 83 HIS HB2 H 1 3.33 0.02 . 2 . . . . 83 HIS HB2 . 16564 1 990 . 1 1 83 83 HIS HB3 H 1 3.37 0.02 . 2 . . . . 83 HIS HB3 . 16564 1 991 . 1 1 83 83 HIS HD2 H 1 7.06 0.02 . 1 . . . . 83 HIS HD2 . 16564 1 992 . 1 1 83 83 HIS C C 13 174.6 0.2 . 1 . . . . 83 HIS C . 16564 1 993 . 1 1 83 83 HIS CA C 13 56.8 0.2 . 1 . . . . 83 HIS CA . 16564 1 994 . 1 1 83 83 HIS CB C 13 26.9 0.2 . 1 . . . . 83 HIS CB . 16564 1 995 . 1 1 83 83 HIS CD2 C 13 120.1 0.2 . 1 . . . . 83 HIS CD2 . 16564 1 996 . 1 1 83 83 HIS N N 15 113.2 0.2 . 1 . . . . 83 HIS N . 16564 1 997 . 1 1 84 84 CYS H H 1 8.32 0.02 . 1 . . . . 84 CYS H . 16564 1 998 . 1 1 84 84 CYS HA H 1 5.08 0.02 . 1 . . . . 84 CYS HA . 16564 1 999 . 1 1 84 84 CYS HB2 H 1 2.49 0.02 . 2 . . . . 84 CYS HB2 . 16564 1 1000 . 1 1 84 84 CYS HB3 H 1 3.47 0.02 . 2 . . . . 84 CYS HB3 . 16564 1 1001 . 1 1 84 84 CYS C C 13 173.3 0.2 . 1 . . . . 84 CYS C . 16564 1 1002 . 1 1 84 84 CYS CA C 13 56.1 0.2 . 1 . . . . 84 CYS CA . 16564 1 1003 . 1 1 84 84 CYS CB C 13 29.2 0.2 . 1 . . . . 84 CYS CB . 16564 1 1004 . 1 1 84 84 CYS N N 15 110.5 0.2 . 1 . . . . 84 CYS N . 16564 1 1005 . 1 1 85 85 LEU H H 1 7.31 0.02 . 1 . . . . 85 LEU H . 16564 1 1006 . 1 1 85 85 LEU HA H 1 4.28 0.02 . 1 . . . . 85 LEU HA . 16564 1 1007 . 1 1 85 85 LEU HB2 H 1 1.04 0.02 . 2 . . . . 85 LEU HB2 . 16564 1 1008 . 1 1 85 85 LEU HB3 H 1 1.71 0.02 . 2 . . . . 85 LEU HB3 . 16564 1 1009 . 1 1 85 85 LEU HD11 H 1 0.93 0.02 . 1 . . . . 85 LEU HD1 . 16564 1 1010 . 1 1 85 85 LEU HD12 H 1 0.93 0.02 . 1 . . . . 85 LEU HD1 . 16564 1 1011 . 1 1 85 85 LEU HD13 H 1 0.93 0.02 . 1 . . . . 85 LEU HD1 . 16564 1 1012 . 1 1 85 85 LEU HD21 H 1 0.85 0.02 . 1 . . . . 85 LEU HD2 . 16564 1 1013 . 1 1 85 85 LEU HD22 H 1 0.85 0.02 . 1 . . . . 85 LEU HD2 . 16564 1 1014 . 1 1 85 85 LEU HD23 H 1 0.85 0.02 . 1 . . . . 85 LEU HD2 . 16564 1 1015 . 1 1 85 85 LEU HG H 1 1.36 0.02 . 1 . . . . 85 LEU HG . 16564 1 1016 . 1 1 85 85 LEU C C 13 176.4 0.2 . 1 . . . . 85 LEU C . 16564 1 1017 . 1 1 85 85 LEU CA C 13 55.3 0.2 . 1 . . . . 85 LEU CA . 16564 1 1018 . 1 1 85 85 LEU CB C 13 42.7 0.2 . 1 . . . . 85 LEU CB . 16564 1 1019 . 1 1 85 85 LEU CD1 C 13 23.7 0.2 . 1 . . . . 85 LEU CD1 . 16564 1 1020 . 1 1 85 85 LEU CD2 C 13 26.7 0.2 . 1 . . . . 85 LEU CD2 . 16564 1 1021 . 1 1 85 85 LEU CG C 13 27.2 0.2 . 1 . . . . 85 LEU CG . 16564 1 1022 . 1 1 85 85 LEU N N 15 124.5 0.2 . 1 . . . . 85 LEU N . 16564 1 1023 . 1 1 86 86 MET H H 1 8.52 0.02 . 1 . . . . 86 MET H . 16564 1 1024 . 1 1 86 86 MET HA H 1 4.53 0.02 . 1 . . . . 86 MET HA . 16564 1 1025 . 1 1 86 86 MET HB2 H 1 1.63 0.02 . 2 . . . . 86 MET HB2 . 16564 1 1026 . 1 1 86 86 MET HB3 H 1 1.93 0.02 . 2 . . . . 86 MET HB3 . 16564 1 1027 . 1 1 86 86 MET HG2 H 1 2.37 0.02 . 2 . . . . 86 MET HG2 . 16564 1 1028 . 1 1 86 86 MET HG3 H 1 2.39 0.02 . 2 . . . . 86 MET HG3 . 16564 1 1029 . 1 1 86 86 MET C C 13 175.0 0.2 . 1 . . . . 86 MET C . 16564 1 1030 . 1 1 86 86 MET CA C 13 55.4 0.2 . 1 . . . . 86 MET CA . 16564 1 1031 . 1 1 86 86 MET CB C 13 33.0 0.2 . 1 . . . . 86 MET CB . 16564 1 1032 . 1 1 86 86 MET CG C 13 32.2 0.2 . 1 . . . . 86 MET CG . 16564 1 1033 . 1 1 86 86 MET N N 15 127.3 0.2 . 1 . . . . 86 MET N . 16564 1 1034 . 1 1 87 87 GLU H H 1 8.46 0.02 . 1 . . . . 87 GLU H . 16564 1 1035 . 1 1 87 87 GLU HA H 1 4.29 0.02 . 1 . . . . 87 GLU HA . 16564 1 1036 . 1 1 87 87 GLU HB2 H 1 1.86 0.02 . 2 . . . . 87 GLU HB2 . 16564 1 1037 . 1 1 87 87 GLU HB3 H 1 1.98 0.02 . 2 . . . . 87 GLU HB3 . 16564 1 1038 . 1 1 87 87 GLU HG2 H 1 2.12 0.02 . 2 . . . . 87 GLU HG2 . 16564 1 1039 . 1 1 87 87 GLU HG3 H 1 2.19 0.02 . 2 . . . . 87 GLU HG3 . 16564 1 1040 . 1 1 87 87 GLU C C 13 175.5 0.2 . 1 . . . . 87 GLU C . 16564 1 1041 . 1 1 87 87 GLU CA C 13 56.2 0.2 . 1 . . . . 87 GLU CA . 16564 1 1042 . 1 1 87 87 GLU CB C 13 30.9 0.2 . 1 . . . . 87 GLU CB . 16564 1 1043 . 1 1 87 87 GLU CG C 13 36.1 0.2 . 1 . . . . 87 GLU CG . 16564 1 1044 . 1 1 87 87 GLU N N 15 123.3 0.2 . 1 . . . . 87 GLU N . 16564 1 1045 . 1 1 88 88 ASP H H 1 8.51 0.02 . 1 . . . . 88 ASP H . 16564 1 1046 . 1 1 88 88 ASP HA H 1 4.56 0.02 . 1 . . . . 88 ASP HA . 16564 1 1047 . 1 1 88 88 ASP HB2 H 1 2.53 0.02 . 2 . . . . 88 ASP HB2 . 16564 1 1048 . 1 1 88 88 ASP HB3 H 1 2.67 0.02 . 2 . . . . 88 ASP HB3 . 16564 1 1049 . 1 1 88 88 ASP C C 13 176.2 0.2 . 1 . . . . 88 ASP C . 16564 1 1050 . 1 1 88 88 ASP CA C 13 54.2 0.2 . 1 . . . . 88 ASP CA . 16564 1 1051 . 1 1 88 88 ASP CB C 13 41.4 0.2 . 1 . . . . 88 ASP CB . 16564 1 1052 . 1 1 88 88 ASP N N 15 122.6 0.2 . 1 . . . . 88 ASP N . 16564 1 1053 . 1 1 89 89 LYS H H 1 8.33 0.02 . 1 . . . . 89 LYS H . 16564 1 1054 . 1 1 89 89 LYS HA H 1 4.26 0.02 . 1 . . . . 89 LYS HA . 16564 1 1055 . 1 1 89 89 LYS HB2 H 1 1.72 0.02 . 2 . . . . 89 LYS HB2 . 16564 1 1056 . 1 1 89 89 LYS HB3 H 1 1.83 0.02 . 2 . . . . 89 LYS HB3 . 16564 1 1057 . 1 1 89 89 LYS C C 13 176.2 0.2 . 1 . . . . 89 LYS C . 16564 1 1058 . 1 1 89 89 LYS CA C 13 56.2 0.2 . 1 . . . . 89 LYS CA . 16564 1 1059 . 1 1 89 89 LYS CB C 13 32.9 0.2 . 1 . . . . 89 LYS CB . 16564 1 1060 . 1 1 89 89 LYS CD C 13 28.8 0.2 . 1 . . . . 89 LYS CD . 16564 1 1061 . 1 1 89 89 LYS CE C 13 41.9 0.2 . 1 . . . . 89 LYS CE . 16564 1 1062 . 1 1 89 89 LYS CG C 13 24.5 0.2 . 1 . . . . 89 LYS CG . 16564 1 1063 . 1 1 89 89 LYS N N 15 122.3 0.2 . 1 . . . . 89 LYS N . 16564 1 1064 . 1 1 90 90 ALA H H 1 8.30 0.02 . 1 . . . . 90 ALA H . 16564 1 1065 . 1 1 90 90 ALA HA H 1 4.25 0.02 . 1 . . . . 90 ALA HA . 16564 1 1066 . 1 1 90 90 ALA HB1 H 1 1.34 0.02 . 1 . . . . 90 ALA HB . 16564 1 1067 . 1 1 90 90 ALA HB2 H 1 1.34 0.02 . 1 . . . . 90 ALA HB . 16564 1 1068 . 1 1 90 90 ALA HB3 H 1 1.34 0.02 . 1 . . . . 90 ALA HB . 16564 1 1069 . 1 1 90 90 ALA C C 13 177.6 0.2 . 1 . . . . 90 ALA C . 16564 1 1070 . 1 1 90 90 ALA CA C 13 52.5 0.2 . 1 . . . . 90 ALA CA . 16564 1 1071 . 1 1 90 90 ALA CB C 13 19.3 0.2 . 1 . . . . 90 ALA CB . 16564 1 1072 . 1 1 90 90 ALA N N 15 125.1 0.2 . 1 . . . . 90 ALA N . 16564 1 1073 . 1 1 91 91 GLU H H 1 8.25 0.02 . 1 . . . . 91 GLU H . 16564 1 1074 . 1 1 91 91 GLU HA H 1 4.22 0.02 . 1 . . . . 91 GLU HA . 16564 1 1075 . 1 1 91 91 GLU HB2 H 1 1.86 0.02 . 2 . . . . 91 GLU HB2 . 16564 1 1076 . 1 1 91 91 GLU HB3 H 1 1.99 0.02 . 2 . . . . 91 GLU HB3 . 16564 1 1077 . 1 1 91 91 GLU C C 13 175.8 0.2 . 1 . . . . 91 GLU C . 16564 1 1078 . 1 1 91 91 GLU CA C 13 56.0 0.2 . 1 . . . . 91 GLU CA . 16564 1 1079 . 1 1 91 91 GLU CB C 13 30.5 0.2 . 1 . . . . 91 GLU CB . 16564 1 1080 . 1 1 91 91 GLU CG C 13 36.1 0.2 . 1 . . . . 91 GLU CG . 16564 1 1081 . 1 1 91 91 GLU N N 15 120.2 0.2 . 1 . . . . 91 GLU N . 16564 1 1082 . 1 1 92 92 ALA H H 1 8.32 0.02 . 1 . . . . 92 ALA H . 16564 1 1083 . 1 1 92 92 ALA HA H 1 4.55 0.02 . 1 . . . . 92 ALA HA . 16564 1 1084 . 1 1 92 92 ALA CA C 13 50.5 0.2 . 1 . . . . 92 ALA CA . 16564 1 1085 . 1 1 92 92 ALA CB C 13 18.2 0.2 . 1 . . . . 92 ALA CB . 16564 1 1086 . 1 1 92 92 ALA N N 15 126.6 0.2 . 1 . . . . 92 ALA N . 16564 1 1087 . 1 1 93 93 PRO HA H 1 4.39 0.02 . 1 . . . . 93 PRO HA . 16564 1 1088 . 1 1 93 93 PRO HB2 H 1 1.89 0.02 . 2 . . . . 93 PRO HB2 . 16564 1 1089 . 1 1 93 93 PRO HB3 H 1 2.26 0.02 . 2 . . . . 93 PRO HB3 . 16564 1 1090 . 1 1 93 93 PRO HD2 H 1 3.62 0.02 . 2 . . . . 93 PRO HD2 . 16564 1 1091 . 1 1 93 93 PRO HD3 H 1 3.75 0.02 . 2 . . . . 93 PRO HD3 . 16564 1 1092 . 1 1 93 93 PRO C C 13 176.7 0.2 . 1 . . . . 93 PRO C . 16564 1 1093 . 1 1 93 93 PRO CA C 13 63.1 0.2 . 1 . . . . 93 PRO CA . 16564 1 1094 . 1 1 93 93 PRO CB C 13 32.0 0.2 . 1 . . . . 93 PRO CB . 16564 1 1095 . 1 1 93 93 PRO CD C 13 50.4 0.2 . 1 . . . . 93 PRO CD . 16564 1 1096 . 1 1 94 94 ASN H H 1 8.54 0.02 . 1 . . . . 94 ASN H . 16564 1 1097 . 1 1 94 94 ASN HA H 1 4.68 0.02 . 1 . . . . 94 ASN HA . 16564 1 1098 . 1 1 94 94 ASN HB2 H 1 2.77 0.02 . 2 . . . . 94 ASN HB2 . 16564 1 1099 . 1 1 94 94 ASN HB3 H 1 2.81 0.02 . 2 . . . . 94 ASN HB3 . 16564 1 1100 . 1 1 94 94 ASN HD21 H 1 6.89 0.02 . 2 . . . . 94 ASN HD21 . 16564 1 1101 . 1 1 94 94 ASN HD22 H 1 7.60 0.02 . 2 . . . . 94 ASN HD22 . 16564 1 1102 . 1 1 94 94 ASN C C 13 175.4 0.2 . 1 . . . . 94 ASN C . 16564 1 1103 . 1 1 94 94 ASN CA C 13 53.3 0.2 . 1 . . . . 94 ASN CA . 16564 1 1104 . 1 1 94 94 ASN CB C 13 38.7 0.2 . 1 . . . . 94 ASN CB . 16564 1 1105 . 1 1 94 94 ASN CG C 13 177.0 0.2 . 1 . . . . 94 ASN CG . 16564 1 1106 . 1 1 94 94 ASN N N 15 118.7 0.2 . 1 . . . . 94 ASN N . 16564 1 1107 . 1 1 94 94 ASN ND2 N 15 113.0 0.2 . 1 . . . . 94 ASN ND2 . 16564 1 1108 . 1 1 95 95 THR H H 1 8.09 0.02 . 1 . . . . 95 THR H . 16564 1 1109 . 1 1 95 95 THR HA H 1 4.17 0.02 . 1 . . . . 95 THR HA . 16564 1 1110 . 1 1 95 95 THR HB H 1 4.30 0.02 . 1 . . . . 95 THR HB . 16564 1 1111 . 1 1 95 95 THR HG21 H 1 1.15 0.02 . 1 . . . . 95 THR HG2 . 16564 1 1112 . 1 1 95 95 THR HG22 H 1 1.15 0.02 . 1 . . . . 95 THR HG2 . 16564 1 1113 . 1 1 95 95 THR HG23 H 1 1.15 0.02 . 1 . . . . 95 THR HG2 . 16564 1 1114 . 1 1 95 95 THR C C 13 174.4 0.2 . 1 . . . . 95 THR C . 16564 1 1115 . 1 1 95 95 THR CA C 13 61.9 0.2 . 1 . . . . 95 THR CA . 16564 1 1116 . 1 1 95 95 THR CB C 13 69.7 0.2 . 1 . . . . 95 THR CB . 16564 1 1117 . 1 1 95 95 THR CG2 C 13 21.6 0.2 . 1 . . . . 95 THR CG2 . 16564 1 1118 . 1 1 95 95 THR N N 15 114.7 0.2 . 1 . . . . 95 THR N . 16564 1 1119 . 1 1 96 96 ILE H H 1 8.15 0.02 . 1 . . . . 96 ILE H . 16564 1 1120 . 1 1 96 96 ILE HA H 1 4.13 0.02 . 1 . . . . 96 ILE HA . 16564 1 1121 . 1 1 96 96 ILE HB H 1 1.84 0.02 . 1 . . . . 96 ILE HB . 16564 1 1122 . 1 1 96 96 ILE HD11 H 1 0.82 0.02 . 1 . . . . 96 ILE HD1 . 16564 1 1123 . 1 1 96 96 ILE HD12 H 1 0.82 0.02 . 1 . . . . 96 ILE HD1 . 16564 1 1124 . 1 1 96 96 ILE HD13 H 1 0.82 0.02 . 1 . . . . 96 ILE HD1 . 16564 1 1125 . 1 1 96 96 ILE HG12 H 1 1.15 0.02 . 2 . . . . 96 ILE HG12 . 16564 1 1126 . 1 1 96 96 ILE HG13 H 1 1.44 0.02 . 2 . . . . 96 ILE HG13 . 16564 1 1127 . 1 1 96 96 ILE HG21 H 1 0.88 0.02 . 1 . . . . 96 ILE HG2 . 16564 1 1128 . 1 1 96 96 ILE HG22 H 1 0.88 0.02 . 1 . . . . 96 ILE HG2 . 16564 1 1129 . 1 1 96 96 ILE HG23 H 1 0.88 0.02 . 1 . . . . 96 ILE HG2 . 16564 1 1130 . 1 1 96 96 ILE C C 13 176.0 0.2 . 1 . . . . 96 ILE C . 16564 1 1131 . 1 1 96 96 ILE CA C 13 61.1 0.2 . 1 . . . . 96 ILE CA . 16564 1 1132 . 1 1 96 96 ILE CB C 13 38.6 0.2 . 1 . . . . 96 ILE CB . 16564 1 1133 . 1 1 96 96 ILE CD1 C 13 12.9 0.2 . 1 . . . . 96 ILE CD1 . 16564 1 1134 . 1 1 96 96 ILE CG1 C 13 27.2 0.2 . 1 . . . . 96 ILE CG1 . 16564 1 1135 . 1 1 96 96 ILE CG2 C 13 17.4 0.2 . 1 . . . . 96 ILE CG2 . 16564 1 1136 . 1 1 96 96 ILE N N 15 123.5 0.2 . 1 . . . . 96 ILE N . 16564 1 1137 . 1 1 97 97 ALA H H 1 8.40 0.02 . 1 . . . . 97 ALA H . 16564 1 1138 . 1 1 97 97 ALA HA H 1 4.33 0.02 . 1 . . . . 97 ALA HA . 16564 1 1139 . 1 1 97 97 ALA HB1 H 1 1.36 0.02 . 1 . . . . 97 ALA HB . 16564 1 1140 . 1 1 97 97 ALA HB2 H 1 1.36 0.02 . 1 . . . . 97 ALA HB . 16564 1 1141 . 1 1 97 97 ALA HB3 H 1 1.36 0.02 . 1 . . . . 97 ALA HB . 16564 1 1142 . 1 1 97 97 ALA C C 13 177.7 0.2 . 1 . . . . 97 ALA C . 16564 1 1143 . 1 1 97 97 ALA CA C 13 52.4 0.2 . 1 . . . . 97 ALA CA . 16564 1 1144 . 1 1 97 97 ALA CB C 13 19.2 0.2 . 1 . . . . 97 ALA CB . 16564 1 1145 . 1 1 97 97 ALA N N 15 128.6 0.2 . 1 . . . . 97 ALA N . 16564 1 1146 . 1 1 98 98 SER H H 1 8.32 0.02 . 1 . . . . 98 SER H . 16564 1 1147 . 1 1 98 98 SER HA H 1 4.41 0.02 . 1 . . . . 98 SER HA . 16564 1 1148 . 1 1 98 98 SER HB2 H 1 3.84 0.02 . 2 . . . . 98 SER HB2 . 16564 1 1149 . 1 1 98 98 SER HB3 H 1 3.89 0.02 . 2 . . . . 98 SER HB3 . 16564 1 1150 . 1 1 98 98 SER C C 13 175.0 0.2 . 1 . . . . 98 SER C . 16564 1 1151 . 1 1 98 98 SER CA C 13 58.5 0.2 . 1 . . . . 98 SER CA . 16564 1 1152 . 1 1 98 98 SER CB C 13 63.8 0.2 . 1 . . . . 98 SER CB . 16564 1 1153 . 1 1 98 98 SER N N 15 115.7 0.2 . 1 . . . . 98 SER N . 16564 1 1154 . 1 1 99 99 GLY H H 1 8.42 0.02 . 1 . . . . 99 GLY H . 16564 1 1155 . 1 1 99 99 GLY HA2 H 1 3.97 0.02 . 2 . . . . 99 GLY HA2 . 16564 1 1156 . 1 1 99 99 GLY HA3 H 1 4.01 0.02 . 2 . . . . 99 GLY HA3 . 16564 1 1157 . 1 1 99 99 GLY C C 13 173.4 0.2 . 1 . . . . 99 GLY C . 16564 1 1158 . 1 1 99 99 GLY CA C 13 45.4 0.2 . 1 . . . . 99 GLY CA . 16564 1 1159 . 1 1 99 99 GLY N N 15 111.6 0.2 . 1 . . . . 99 GLY N . 16564 1 1160 . 1 1 100 100 SER H H 1 7.90 0.02 . 1 . . . . 100 SER H . 16564 1 1161 . 1 1 100 100 SER HA H 1 4.27 0.02 . 1 . . . . 100 SER HA . 16564 1 1162 . 1 1 100 100 SER CA C 13 59.9 0.2 . 1 . . . . 100 SER CA . 16564 1 1163 . 1 1 100 100 SER CB C 13 64.8 0.2 . 1 . . . . 100 SER CB . 16564 1 1164 . 1 1 100 100 SER N N 15 121.3 0.2 . 1 . . . . 100 SER N . 16564 1 stop_ save_