data_16118 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16118 _Entry.Title ; Solution structure of PFE0790c, a putative bolA-like protein from the protozoan parasite Plasmodium falciparum: A Structural Genomics Center for Infectious Disease (SSGCID) community request. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-01-12 _Entry.Accession_date 2009-01-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Garry Buchko . W. . 16118 2 Adelinda Yee . . . 16118 3 Anthony Semesi . . . 16118 4 Raymond Hui . . . 16118 5 Cheryl Arrowsmith . H. . 16118 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 . 'not applicable' 'Seattle Structural Genomics Center for Infectious Disease' . 16118 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID malaria . 16118 'NMR solution structure' . 16118 'Seattle Structural Genomics Center for Infectious Disease' . 16118 SSGCID . 16118 'structural genomics' . 16118 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16118 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 391 16118 '15N chemical shifts' 95 16118 '1H chemical shifts' 607 16118 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 3 . . 2010-05-27 2009-01-12 update author 'edit entity/assembly name' 16118 2 . . 2009-07-17 2009-01-12 update author 'update entry title' 16118 1 . . 2009-03-05 2009-01-12 original author 'original release' 16118 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KDN 'BMRB Entry Tracking System' 16118 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16118 _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 'Structural characterization of PFE0790c, a putative bolA-like protein from Plasmodium falciparum, the protozoan parasite responsible for malaria.' _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 Garry Buchko . W. . 16118 1 2 Adelinda Yee . . . 16118 1 3 Anthony Semesi . . . 16118 1 4 Cheryl Arrowsmith . H. . 16118 1 5 Raymond Hui . . . 16118 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID malaria 16118 1 'Seattle Structural Genomics Center for Infectious Diseases' 16118 1 'solution NMR structure' 16118 1 SSGCID 16118 1 'structural biology' 16118 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16118 _Assembly.ID 1 _Assembly.Name PFE0790c _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 PFE0790c 1 $entity A . yes native no no . . . 16118 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16118 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PFE0790c _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 ; MGSSHHHHHHSSGRENLYFQ GHMCIQKVIEDKLSSALKPT FLELVDKSCGCGTSFDAVIV SNNFEDKKLLDRHRLVNTIL KEELQNIHAFSMKCHTPLEY DKLKSKGS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'N-terminal residues 1-22 and C-terminal residues 107-108 are not native. The first residue in the native sequence of PFE0790c is M23.' _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 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12328.188 _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 2KDN . "Solution Structure Of Pfe0790c, A Putative Bola-like Protein From The Protozoan Parasite Plasmodium Falciparum" . . . . . 100.00 108 100.00 100.00 4.82e-72 . . . . 16118 1 2 no EMBL CAD51522 . "BolA-like protein, putative [Plasmodium falciparum 3D7]" . . . . . 77.78 84 100.00 100.00 8.36e-53 . . . . 16118 1 3 no EMBL CDO63036 . "BolA-like protein, putative [Plasmodium reichenowi]" . . . . . 77.78 84 100.00 100.00 8.36e-53 . . . . 16118 1 4 no GB KOB58477 . "hypothetical protein PFHG_00220 [Plasmodium falciparum HB3]" . . . . . 77.78 84 100.00 100.00 8.36e-53 . . . . 16118 1 5 no REF XP_001351715 . "BolA-like protein, putative [Plasmodium falciparum 3D7]" . . . . . 77.78 84 100.00 100.00 8.36e-53 . . . . 16118 1 6 no REF XP_012761671 . "BolA-like protein, putative [Plasmodium reichenowi]" . . . . . 77.78 84 100.00 100.00 8.36e-53 . . . . 16118 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 . 16118 1 2 . GLY . 16118 1 3 . SER . 16118 1 4 . SER . 16118 1 5 . HIS . 16118 1 6 . HIS . 16118 1 7 . HIS . 16118 1 8 . HIS . 16118 1 9 . HIS . 16118 1 10 . HIS . 16118 1 11 . SER . 16118 1 12 . SER . 16118 1 13 . GLY . 16118 1 14 . ARG . 16118 1 15 . GLU . 16118 1 16 . ASN . 16118 1 17 . LEU . 16118 1 18 . TYR . 16118 1 19 . PHE . 16118 1 20 . GLN . 16118 1 21 . GLY . 16118 1 22 . HIS . 16118 1 23 . MET . 16118 1 24 . CYS . 16118 1 25 . ILE . 16118 1 26 . GLN . 16118 1 27 . LYS . 16118 1 28 . VAL . 16118 1 29 . ILE . 16118 1 30 . GLU . 16118 1 31 . ASP . 16118 1 32 . LYS . 16118 1 33 . LEU . 16118 1 34 . SER . 16118 1 35 . SER . 16118 1 36 . ALA . 16118 1 37 . LEU . 16118 1 38 . LYS . 16118 1 39 . PRO . 16118 1 40 . THR . 16118 1 41 . PHE . 16118 1 42 . LEU . 16118 1 43 . GLU . 16118 1 44 . LEU . 16118 1 45 . VAL . 16118 1 46 . ASP . 16118 1 47 . LYS . 16118 1 48 . SER . 16118 1 49 . CYS . 16118 1 50 . GLY . 16118 1 51 . CYS . 16118 1 52 . GLY . 16118 1 53 . THR . 16118 1 54 . SER . 16118 1 55 . PHE . 16118 1 56 . ASP . 16118 1 57 . ALA . 16118 1 58 . VAL . 16118 1 59 . ILE . 16118 1 60 . VAL . 16118 1 61 . SER . 16118 1 62 . ASN . 16118 1 63 . ASN . 16118 1 64 . PHE . 16118 1 65 . GLU . 16118 1 66 . ASP . 16118 1 67 . LYS . 16118 1 68 . LYS . 16118 1 69 . LEU . 16118 1 70 . LEU . 16118 1 71 . ASP . 16118 1 72 . ARG . 16118 1 73 . HIS . 16118 1 74 . ARG . 16118 1 75 . LEU . 16118 1 76 . VAL . 16118 1 77 . ASN . 16118 1 78 . THR . 16118 1 79 . ILE . 16118 1 80 . LEU . 16118 1 81 . LYS . 16118 1 82 . GLU . 16118 1 83 . GLU . 16118 1 84 . LEU . 16118 1 85 . GLN . 16118 1 86 . ASN . 16118 1 87 . ILE . 16118 1 88 . HIS . 16118 1 89 . ALA . 16118 1 90 . PHE . 16118 1 91 . SER . 16118 1 92 . MET . 16118 1 93 . LYS . 16118 1 94 . CYS . 16118 1 95 . HIS . 16118 1 96 . THR . 16118 1 97 . PRO . 16118 1 98 . LEU . 16118 1 99 . GLU . 16118 1 100 . TYR . 16118 1 101 . ASP . 16118 1 102 . LYS . 16118 1 103 . LEU . 16118 1 104 . LYS . 16118 1 105 . SER . 16118 1 106 . LYS . 16118 1 107 . GLY . 16118 1 108 . SER . 16118 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 16118 1 . GLY 2 2 16118 1 . SER 3 3 16118 1 . SER 4 4 16118 1 . HIS 5 5 16118 1 . HIS 6 6 16118 1 . HIS 7 7 16118 1 . HIS 8 8 16118 1 . HIS 9 9 16118 1 . HIS 10 10 16118 1 . SER 11 11 16118 1 . SER 12 12 16118 1 . GLY 13 13 16118 1 . ARG 14 14 16118 1 . GLU 15 15 16118 1 . ASN 16 16 16118 1 . LEU 17 17 16118 1 . TYR 18 18 16118 1 . PHE 19 19 16118 1 . GLN 20 20 16118 1 . GLY 21 21 16118 1 . HIS 22 22 16118 1 . MET 23 23 16118 1 . CYS 24 24 16118 1 . ILE 25 25 16118 1 . GLN 26 26 16118 1 . LYS 27 27 16118 1 . VAL 28 28 16118 1 . ILE 29 29 16118 1 . GLU 30 30 16118 1 . ASP 31 31 16118 1 . LYS 32 32 16118 1 . LEU 33 33 16118 1 . SER 34 34 16118 1 . SER 35 35 16118 1 . ALA 36 36 16118 1 . LEU 37 37 16118 1 . LYS 38 38 16118 1 . PRO 39 39 16118 1 . THR 40 40 16118 1 . PHE 41 41 16118 1 . LEU 42 42 16118 1 . GLU 43 43 16118 1 . LEU 44 44 16118 1 . VAL 45 45 16118 1 . ASP 46 46 16118 1 . LYS 47 47 16118 1 . SER 48 48 16118 1 . CYS 49 49 16118 1 . GLY 50 50 16118 1 . CYS 51 51 16118 1 . GLY 52 52 16118 1 . THR 53 53 16118 1 . SER 54 54 16118 1 . PHE 55 55 16118 1 . ASP 56 56 16118 1 . ALA 57 57 16118 1 . VAL 58 58 16118 1 . ILE 59 59 16118 1 . VAL 60 60 16118 1 . SER 61 61 16118 1 . ASN 62 62 16118 1 . ASN 63 63 16118 1 . PHE 64 64 16118 1 . GLU 65 65 16118 1 . ASP 66 66 16118 1 . LYS 67 67 16118 1 . LYS 68 68 16118 1 . LEU 69 69 16118 1 . LEU 70 70 16118 1 . ASP 71 71 16118 1 . ARG 72 72 16118 1 . HIS 73 73 16118 1 . ARG 74 74 16118 1 . LEU 75 75 16118 1 . VAL 76 76 16118 1 . ASN 77 77 16118 1 . THR 78 78 16118 1 . ILE 79 79 16118 1 . LEU 80 80 16118 1 . LYS 81 81 16118 1 . GLU 82 82 16118 1 . GLU 83 83 16118 1 . LEU 84 84 16118 1 . GLN 85 85 16118 1 . ASN 86 86 16118 1 . ILE 87 87 16118 1 . HIS 88 88 16118 1 . ALA 89 89 16118 1 . PHE 90 90 16118 1 . SER 91 91 16118 1 . MET 92 92 16118 1 . LYS 93 93 16118 1 . CYS 94 94 16118 1 . HIS 95 95 16118 1 . THR 96 96 16118 1 . PRO 97 97 16118 1 . LEU 98 98 16118 1 . GLU 99 99 16118 1 . TYR 100 100 16118 1 . ASP 101 101 16118 1 . LYS 102 102 16118 1 . LEU 103 103 16118 1 . LYS 104 104 16118 1 . SER 105 105 16118 1 . LYS 106 106 16118 1 . GLY 107 107 16118 1 . SER 108 108 16118 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 16118 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 36329 organism . 'Plasmodium falciparum' 'Plasmodium falciparum' . . Eukaryota . Plasmodium falciparum 3D7 . . . . . . . . . . . . . . . . . . . . 16118 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 16118 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . lic . . . p11 . . 16118 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16118 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 1.5 . . mM 0.5 . . . 16118 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM 1 . . . 16118 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM 5 . . . 16118 1 4 DTT 'natural abundance' . . . . . . 10 . . mM 1 . . . 16118 1 5 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % 0.002 . . . 16118 1 6 benzamidine 'natural abundance' . . . . . . 1 . . mM 0.01 . . . 16118 1 7 H2O 'natural abundance' . . . . . . 93 . . % . . . . 16118 1 8 D2O 'natural abundance' . . . . . . 7 . . % . . . . 16118 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16118 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-7% 13C; U-99% 15N]' . . 1 $entity . . 1.5 . . mM 0.5 . . . 16118 2 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM 1 . . . 16118 2 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM 5 . . . 16118 2 4 DTT 'natural abundance' . . . . . . 10 . . mM 1 . . . 16118 2 5 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % 0.002 . . . 16118 2 6 benzamidine 'natural abundance' . . . . . . 1 . . mM 0.01 . . . 16118 2 7 H2O 'natural abundance' . . . . . . 93 . . % . . . . 16118 2 8 D2O 'natural abundance' . . . . . . 7 . . % . . . . 16118 2 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 16118 _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' 200 . mM 16118 1 pH 6.5 . pH 16118 1 pressure 1 . atm 16118 1 temperature 293 . K 16118 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16118 _Software.ID 1 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16118 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16118 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16118 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.110 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16118 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16118 2 'peak picking' 16118 2 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 16118 _Software.ID 3 _Software.Name FELIX _Software.Version 2007 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 16118 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16118 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16118 _Software.ID 4 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16118 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16118 4 'structure solution' 16118 4 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 16118 _Software.ID 5 _Software.Name PSVS _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 16118 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16118 5 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 16118 _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 16118 _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 16118 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16118 _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 . . . 16118 1 2 spectrometer_2 Varian INOVA . 750 . . . 16118 1 3 spectrometer_3 Varian INOVA . 800 . . . 16118 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 16118 _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 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16118 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16118 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16118 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16118 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16118 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16118 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16118 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16118 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16118 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16118 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16118 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16118 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 16118 _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 . indirect 0.251449530 . . . . . . . . . 16118 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16118 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16118 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 16118 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 '3D HNCO' . . . 16118 1 2 '3D HNCACB' . . . 16118 1 5 '3D 1H-15N NOESY' . . . 16118 1 6 '3D HBHA(CO)NH' . . . 16118 1 7 '3D 1H-13C NOESY' . . . 16118 1 8 '3D C(CO)NH' . . . 16118 1 9 '3D H(CCO)NH' . . . 16118 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 2 $SPARKY . . 16118 1 3 $Felix . . 16118 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 11 11 SER HA H 1 4.51 0.02 . 1 . . . . 11 SER HA . 16118 1 2 . 1 1 11 11 SER HB2 H 1 3.89 0.02 . 2 . . . . 11 SER HB2 . 16118 1 3 . 1 1 11 11 SER HB3 H 1 3.89 0.02 . 2 . . . . 11 SER HB3 . 16118 1 4 . 1 1 11 11 SER C C 13 174.6 0.2 . 1 . . . . 11 SER C . 16118 1 5 . 1 1 11 11 SER CA C 13 58.4 0.2 . 1 . . . . 11 SER CA . 16118 1 6 . 1 1 11 11 SER CB C 13 63.8 0.2 . 1 . . . . 11 SER CB . 16118 1 7 . 1 1 12 12 SER H H 1 8.63 0.02 . 1 . . . . 12 SER H . 16118 1 8 . 1 1 12 12 SER HA H 1 4.50 0.02 . 1 . . . . 12 SER HA . 16118 1 9 . 1 1 12 12 SER HB2 H 1 3.94 0.02 . 2 . . . . 12 SER HB2 . 16118 1 10 . 1 1 12 12 SER HB3 H 1 3.94 0.02 . 2 . . . . 12 SER HB3 . 16118 1 11 . 1 1 12 12 SER C C 13 175.0 0.2 . 1 . . . . 12 SER C . 16118 1 12 . 1 1 12 12 SER CA C 13 58.6 0.2 . 1 . . . . 12 SER CA . 16118 1 13 . 1 1 12 12 SER CB C 13 63.9 0.2 . 1 . . . . 12 SER CB . 16118 1 14 . 1 1 12 12 SER N N 15 118.3 0.2 . 1 . . . . 12 SER N . 16118 1 15 . 1 1 13 13 GLY H H 1 8.56 0.02 . 1 . . . . 13 GLY H . 16118 1 16 . 1 1 13 13 GLY HA2 H 1 4.05 0.02 . 2 . . . . 13 GLY HA2 . 16118 1 17 . 1 1 13 13 GLY HA3 H 1 4.05 0.02 . 2 . . . . 13 GLY HA3 . 16118 1 18 . 1 1 13 13 GLY C C 13 174.3 0.2 . 1 . . . . 13 GLY C . 16118 1 19 . 1 1 13 13 GLY CA C 13 45.4 0.2 . 1 . . . . 13 GLY CA . 16118 1 20 . 1 1 13 13 GLY N N 15 111.0 0.2 . 1 . . . . 13 GLY N . 16118 1 21 . 1 1 14 14 ARG H H 1 8.26 0.02 . 1 . . . . 14 ARG H . 16118 1 22 . 1 1 14 14 ARG HA H 1 4.32 0.02 . 1 . . . . 14 ARG HA . 16118 1 23 . 1 1 14 14 ARG HB2 H 1 1.89 0.02 . 2 . . . . 14 ARG HB2 . 16118 1 24 . 1 1 14 14 ARG HB3 H 1 1.75 0.02 . 2 . . . . 14 ARG HB3 . 16118 1 25 . 1 1 14 14 ARG HD2 H 1 3.18 0.02 . 2 . . . . 14 ARG HD2 . 16118 1 26 . 1 1 14 14 ARG HD3 H 1 3.18 0.02 . 2 . . . . 14 ARG HD3 . 16118 1 27 . 1 1 14 14 ARG HG2 H 1 1.62 0.02 . 2 . . . . 14 ARG HG2 . 16118 1 28 . 1 1 14 14 ARG HG3 H 1 1.62 0.02 . 2 . . . . 14 ARG HG3 . 16118 1 29 . 1 1 14 14 ARG C C 13 176.4 0.2 . 1 . . . . 14 ARG C . 16118 1 30 . 1 1 14 14 ARG CA C 13 56.3 0.2 . 1 . . . . 14 ARG CA . 16118 1 31 . 1 1 14 14 ARG CB C 13 30.6 0.2 . 1 . . . . 14 ARG CB . 16118 1 32 . 1 1 14 14 ARG CD C 13 43.3 0.2 . 1 . . . . 14 ARG CD . 16118 1 33 . 1 1 14 14 ARG CG C 13 27.1 0.2 . 1 . . . . 14 ARG CG . 16118 1 34 . 1 1 14 14 ARG N N 15 120.4 0.2 . 1 . . . . 14 ARG N . 16118 1 35 . 1 1 15 15 GLU H H 1 8.66 0.02 . 1 . . . . 15 GLU H . 16118 1 36 . 1 1 15 15 GLU HA H 1 4.21 0.02 . 1 . . . . 15 GLU HA . 16118 1 37 . 1 1 15 15 GLU HB2 H 1 2.03 0.02 . 2 . . . . 15 GLU HB2 . 16118 1 38 . 1 1 15 15 GLU HB3 H 1 2.03 0.02 . 2 . . . . 15 GLU HB3 . 16118 1 39 . 1 1 15 15 GLU HG2 H 1 2.29 0.02 . 2 . . . . 15 GLU HG2 . 16118 1 40 . 1 1 15 15 GLU HG3 H 1 2.29 0.02 . 2 . . . . 15 GLU HG3 . 16118 1 41 . 1 1 15 15 GLU C C 13 176.2 0.2 . 1 . . . . 15 GLU C . 16118 1 42 . 1 1 15 15 GLU CA C 13 57.2 0.2 . 1 . . . . 15 GLU CA . 16118 1 43 . 1 1 15 15 GLU CB C 13 29.7 0.2 . 1 . . . . 15 GLU CB . 16118 1 44 . 1 1 15 15 GLU CG C 13 36.3 0.2 . 1 . . . . 15 GLU CG . 16118 1 45 . 1 1 15 15 GLU N N 15 121.1 0.2 . 1 . . . . 15 GLU N . 16118 1 46 . 1 1 16 16 ASN H H 1 8.42 0.02 . 1 . . . . 16 ASN H . 16118 1 47 . 1 1 16 16 ASN HA H 1 4.68 0.02 . 1 . . . . 16 ASN HA . 16118 1 48 . 1 1 16 16 ASN HB2 H 1 2.81 0.02 . 2 . . . . 16 ASN HB2 . 16118 1 49 . 1 1 16 16 ASN HB3 H 1 2.73 0.02 . 2 . . . . 16 ASN HB3 . 16118 1 50 . 1 1 16 16 ASN HD21 H 1 7.62 0.02 . 2 . . . . 16 ASN HD21 . 16118 1 51 . 1 1 16 16 ASN HD22 H 1 6.95 0.02 . 2 . . . . 16 ASN HD22 . 16118 1 52 . 1 1 16 16 ASN C C 13 175.1 0.2 . 1 . . . . 16 ASN C . 16118 1 53 . 1 1 16 16 ASN CA C 13 53.3 0.2 . 1 . . . . 16 ASN CA . 16118 1 54 . 1 1 16 16 ASN CB C 13 38.7 0.2 . 1 . . . . 16 ASN CB . 16118 1 55 . 1 1 16 16 ASN N N 15 118.9 0.2 . 1 . . . . 16 ASN N . 16118 1 56 . 1 1 16 16 ASN ND2 N 15 112.9 0.2 . 1 . . . . 16 ASN ND2 . 16118 1 57 . 1 1 17 17 LEU H H 1 8.11 0.02 . 1 . . . . 17 LEU H . 16118 1 58 . 1 1 17 17 LEU HA H 1 4.21 0.02 . 1 . . . . 17 LEU HA . 16118 1 59 . 1 1 17 17 LEU HB2 H 1 1.50 0.02 . 2 . . . . 17 LEU HB2 . 16118 1 60 . 1 1 17 17 LEU HB3 H 1 1.36 0.02 . 2 . . . . 17 LEU HB3 . 16118 1 61 . 1 1 17 17 LEU HD11 H 1 0.80 0.02 . 2 . . . . 17 LEU MD1 . 16118 1 62 . 1 1 17 17 LEU HD12 H 1 0.80 0.02 . 2 . . . . 17 LEU MD1 . 16118 1 63 . 1 1 17 17 LEU HD13 H 1 0.80 0.02 . 2 . . . . 17 LEU MD1 . 16118 1 64 . 1 1 17 17 LEU HD21 H 1 0.80 0.02 . 2 . . . . 17 LEU MD2 . 16118 1 65 . 1 1 17 17 LEU HD22 H 1 0.80 0.02 . 2 . . . . 17 LEU MD2 . 16118 1 66 . 1 1 17 17 LEU HD23 H 1 0.80 0.02 . 2 . . . . 17 LEU MD2 . 16118 1 67 . 1 1 17 17 LEU HG H 1 1.48 0.02 . 1 . . . . 17 LEU HG . 16118 1 68 . 1 1 17 17 LEU C C 13 177.0 0.2 . 1 . . . . 17 LEU C . 16118 1 69 . 1 1 17 17 LEU CA C 13 55.6 0.2 . 1 . . . . 17 LEU CA . 16118 1 70 . 1 1 17 17 LEU CB C 13 42.2 0.2 . 1 . . . . 17 LEU CB . 16118 1 71 . 1 1 17 17 LEU CD1 C 13 23.4 0.2 . 2 . . . . 17 LEU CD1 . 16118 1 72 . 1 1 17 17 LEU CD2 C 13 23.4 0.2 . 2 . . . . 17 LEU CD2 . 16118 1 73 . 1 1 17 17 LEU CG C 13 26.8 0.2 . 1 . . . . 17 LEU CG . 16118 1 74 . 1 1 17 17 LEU N N 15 121.9 0.2 . 1 . . . . 17 LEU N . 16118 1 75 . 1 1 18 18 TYR H H 1 8.07 0.02 . 1 . . . . 18 TYR H . 16118 1 76 . 1 1 18 18 TYR HA H 1 4.53 0.02 . 1 . . . . 18 TYR HA . 16118 1 77 . 1 1 18 18 TYR HB2 H 1 2.94 0.02 . 2 . . . . 18 TYR HB2 . 16118 1 78 . 1 1 18 18 TYR HB3 H 1 2.87 0.02 . 2 . . . . 18 TYR HB3 . 16118 1 79 . 1 1 18 18 TYR HD1 H 1 6.99 0.02 . 3 . . . . 18 TYR HD1 . 16118 1 80 . 1 1 18 18 TYR HD2 H 1 6.99 0.02 . 3 . . . . 18 TYR HD2 . 16118 1 81 . 1 1 18 18 TYR HE1 H 1 6.75 0.02 . 3 . . . . 18 TYR HE1 . 16118 1 82 . 1 1 18 18 TYR HE2 H 1 6.75 0.02 . 3 . . . . 18 TYR HE2 . 16118 1 83 . 1 1 18 18 TYR C C 13 175.7 0.2 . 1 . . . . 18 TYR C . 16118 1 84 . 1 1 18 18 TYR CA C 13 58.0 0.2 . 1 . . . . 18 TYR CA . 16118 1 85 . 1 1 18 18 TYR CB C 13 38.7 0.2 . 1 . . . . 18 TYR CB . 16118 1 86 . 1 1 18 18 TYR CD1 C 13 133.1 0.2 . 3 . . . . 18 TYR CD1 . 16118 1 87 . 1 1 18 18 TYR CD2 C 13 133.1 0.2 . 3 . . . . 18 TYR CD2 . 16118 1 88 . 1 1 18 18 TYR CE1 C 13 118.2 0.2 . 3 . . . . 18 TYR CE1 . 16118 1 89 . 1 1 18 18 TYR CE2 C 13 118.2 0.2 . 3 . . . . 18 TYR CE2 . 16118 1 90 . 1 1 18 18 TYR N N 15 119.5 0.2 . 1 . . . . 18 TYR N . 16118 1 91 . 1 1 19 19 PHE H H 1 8.12 0.02 . 1 . . . . 19 PHE H . 16118 1 92 . 1 1 19 19 PHE HA H 1 4.56 0.02 . 1 . . . . 19 PHE HA . 16118 1 93 . 1 1 19 19 PHE HB2 H 1 3.09 0.02 . 2 . . . . 19 PHE HB2 . 16118 1 94 . 1 1 19 19 PHE HB3 H 1 3.04 0.02 . 2 . . . . 19 PHE HB3 . 16118 1 95 . 1 1 19 19 PHE HD1 H 1 7.25 0.02 . 3 . . . . 19 PHE HD1 . 16118 1 96 . 1 1 19 19 PHE HD2 H 1 7.25 0.02 . 3 . . . . 19 PHE HD2 . 16118 1 97 . 1 1 19 19 PHE HE1 H 1 7.36 0.02 . 3 . . . . 19 PHE HE1 . 16118 1 98 . 1 1 19 19 PHE HE2 H 1 7.36 0.02 . 3 . . . . 19 PHE HE2 . 16118 1 99 . 1 1 19 19 PHE C C 13 175.5 0.2 . 1 . . . . 19 PHE C . 16118 1 100 . 1 1 19 19 PHE CA C 13 57.9 0.2 . 1 . . . . 19 PHE CA . 16118 1 101 . 1 1 19 19 PHE CB C 13 39.5 0.2 . 1 . . . . 19 PHE CB . 16118 1 102 . 1 1 19 19 PHE CD1 C 13 131.8 0.2 . 3 . . . . 19 PHE CD1 . 16118 1 103 . 1 1 19 19 PHE CD2 C 13 131.8 0.2 . 3 . . . . 19 PHE CD2 . 16118 1 104 . 1 1 19 19 PHE CE1 C 13 131.6 0.2 . 3 . . . . 19 PHE CE1 . 16118 1 105 . 1 1 19 19 PHE CE2 C 13 131.6 0.2 . 3 . . . . 19 PHE CE2 . 16118 1 106 . 1 1 19 19 PHE N N 15 121.2 0.2 . 1 . . . . 19 PHE N . 16118 1 107 . 1 1 20 20 GLN H H 1 8.30 0.02 . 1 . . . . 20 GLN H . 16118 1 108 . 1 1 20 20 GLN HA H 1 4.20 0.02 . 1 . . . . 20 GLN HA . 16118 1 109 . 1 1 20 20 GLN HB2 H 1 2.09 0.02 . 2 . . . . 20 GLN HB2 . 16118 1 110 . 1 1 20 20 GLN HB3 H 1 1.92 0.02 . 2 . . . . 20 GLN HB3 . 16118 1 111 . 1 1 20 20 GLN HE21 H 1 7.49 0.02 . 2 . . . . 20 GLN HE21 . 16118 1 112 . 1 1 20 20 GLN HE22 H 1 6.93 0.02 . 2 . . . . 20 GLN HE22 . 16118 1 113 . 1 1 20 20 GLN HG2 H 1 2.26 0.02 . 2 . . . . 20 GLN HG2 . 16118 1 114 . 1 1 20 20 GLN HG3 H 1 2.26 0.02 . 2 . . . . 20 GLN HG3 . 16118 1 115 . 1 1 20 20 GLN C C 13 176.0 0.2 . 1 . . . . 20 GLN C . 16118 1 116 . 1 1 20 20 GLN CA C 13 56.1 0.2 . 1 . . . . 20 GLN CA . 16118 1 117 . 1 1 20 20 GLN CB C 13 29.1 0.2 . 1 . . . . 20 GLN CB . 16118 1 118 . 1 1 20 20 GLN CG C 13 33.8 0.2 . 1 . . . . 20 GLN CG . 16118 1 119 . 1 1 20 20 GLN N N 15 121.7 0.2 . 1 . . . . 20 GLN N . 16118 1 120 . 1 1 20 20 GLN NE2 N 15 112.2 0.2 . 1 . . . . 20 GLN NE2 . 16118 1 121 . 1 1 21 21 GLY H H 1 7.97 0.02 . 1 . . . . 21 GLY H . 16118 1 122 . 1 1 21 21 GLY HA2 H 1 3.94 0.02 . 2 . . . . 21 GLY HA2 . 16118 1 123 . 1 1 21 21 GLY HA3 H 1 3.83 0.02 . 2 . . . . 21 GLY HA3 . 16118 1 124 . 1 1 21 21 GLY CA C 13 45.4 0.2 . 1 . . . . 21 GLY CA . 16118 1 125 . 1 1 21 21 GLY N N 15 108.5 0.2 . 1 . . . . 21 GLY N . 16118 1 126 . 1 1 22 22 HIS H H 1 8.28 0.02 . 1 . . . . 22 HIS H . 16118 1 127 . 1 1 22 22 HIS C C 13 174.0 0.2 . 1 . . . . 22 HIS C . 16118 1 128 . 1 1 22 22 HIS CA C 13 56.0 0.2 . 1 . . . . 22 HIS CA . 16118 1 129 . 1 1 22 22 HIS CB C 13 29.9 0.2 . 1 . . . . 22 HIS CB . 16118 1 130 . 1 1 22 22 HIS N N 15 118.7 0.2 . 1 . . . . 22 HIS N . 16118 1 131 . 1 1 23 23 MET HE1 H 1 2.06 0.02 . 1 . . . . 23 MET ME . 16118 1 132 . 1 1 23 23 MET HE2 H 1 2.06 0.02 . 1 . . . . 23 MET ME . 16118 1 133 . 1 1 23 23 MET HE3 H 1 2.06 0.02 . 1 . . . . 23 MET ME . 16118 1 134 . 1 1 23 23 MET C C 13 175.9 0.2 . 1 . . . . 23 MET C . 16118 1 135 . 1 1 23 23 MET CB C 13 32.7 0.2 . 1 . . . . 23 MET CB . 16118 1 136 . 1 1 23 23 MET CE C 13 16.9 0.2 . 1 . . . . 23 MET CE . 16118 1 137 . 1 1 24 24 CYS H H 1 8.39 0.02 . 1 . . . . 24 CYS H . 16118 1 138 . 1 1 24 24 CYS HA H 1 4.62 0.02 . 1 . . . . 24 CYS HA . 16118 1 139 . 1 1 24 24 CYS HB2 H 1 3.12 0.02 . 2 . . . . 24 CYS HB2 . 16118 1 140 . 1 1 24 24 CYS HB3 H 1 3.12 0.02 . 2 . . . . 24 CYS HB3 . 16118 1 141 . 1 1 24 24 CYS C C 13 175.4 0.2 . 1 . . . . 24 CYS C . 16118 1 142 . 1 1 24 24 CYS CA C 13 58.0 0.2 . 1 . . . . 24 CYS CA . 16118 1 143 . 1 1 24 24 CYS CB C 13 27.9 0.2 . 1 . . . . 24 CYS CB . 16118 1 144 . 1 1 24 24 CYS N N 15 120.6 0.2 . 1 . . . . 24 CYS N . 16118 1 145 . 1 1 25 25 ILE H H 1 8.55 0.02 . 1 . . . . 25 ILE H . 16118 1 146 . 1 1 25 25 ILE HA H 1 4.01 0.02 . 1 . . . . 25 ILE HA . 16118 1 147 . 1 1 25 25 ILE HB H 1 2.00 0.02 . 1 . . . . 25 ILE HB . 16118 1 148 . 1 1 25 25 ILE HD11 H 1 0.96 0.02 . 1 . . . . 25 ILE MD . 16118 1 149 . 1 1 25 25 ILE HD12 H 1 0.96 0.02 . 1 . . . . 25 ILE MD . 16118 1 150 . 1 1 25 25 ILE HD13 H 1 0.96 0.02 . 1 . . . . 25 ILE MD . 16118 1 151 . 1 1 25 25 ILE HG12 H 1 1.52 0.02 . 2 . . . . 25 ILE HG12 . 16118 1 152 . 1 1 25 25 ILE HG13 H 1 1.37 0.02 . 2 . . . . 25 ILE HG13 . 16118 1 153 . 1 1 25 25 ILE HG21 H 1 1.20 0.02 . 1 . . . . 25 ILE MG . 16118 1 154 . 1 1 25 25 ILE HG22 H 1 1.20 0.02 . 1 . . . . 25 ILE MG . 16118 1 155 . 1 1 25 25 ILE HG23 H 1 1.20 0.02 . 1 . . . . 25 ILE MG . 16118 1 156 . 1 1 25 25 ILE C C 13 176.2 0.2 . 1 . . . . 25 ILE C . 16118 1 157 . 1 1 25 25 ILE CA C 13 63.4 0.2 . 1 . . . . 25 ILE CA . 16118 1 158 . 1 1 25 25 ILE CB C 13 38.1 0.2 . 1 . . . . 25 ILE CB . 16118 1 159 . 1 1 25 25 ILE CD1 C 13 13.6 0.2 . 1 . . . . 25 ILE CD1 . 16118 1 160 . 1 1 25 25 ILE CG1 C 13 29.2 0.2 . 1 . . . . 25 ILE CG1 . 16118 1 161 . 1 1 25 25 ILE CG2 C 13 18.2 0.2 . 1 . . . . 25 ILE CG2 . 16118 1 162 . 1 1 25 25 ILE N N 15 124.6 0.2 . 1 . . . . 25 ILE N . 16118 1 163 . 1 1 26 26 GLN H H 1 8.86 0.02 . 1 . . . . 26 GLN H . 16118 1 164 . 1 1 26 26 GLN HA H 1 3.34 0.02 . 1 . . . . 26 GLN HA . 16118 1 165 . 1 1 26 26 GLN HB2 H 1 2.43 0.02 . 2 . . . . 26 GLN HB2 . 16118 1 166 . 1 1 26 26 GLN HB3 H 1 1.99 0.02 . 2 . . . . 26 GLN HB3 . 16118 1 167 . 1 1 26 26 GLN HE21 H 1 7.79 0.02 . 2 . . . . 26 GLN HE21 . 16118 1 168 . 1 1 26 26 GLN HE22 H 1 6.66 0.02 . 2 . . . . 26 GLN HE22 . 16118 1 169 . 1 1 26 26 GLN HG2 H 1 2.32 0.02 . 2 . . . . 26 GLN HG2 . 16118 1 170 . 1 1 26 26 GLN HG3 H 1 2.01 0.02 . 2 . . . . 26 GLN HG3 . 16118 1 171 . 1 1 26 26 GLN C C 13 176.8 0.2 . 1 . . . . 26 GLN C . 16118 1 172 . 1 1 26 26 GLN CA C 13 60.2 0.2 . 1 . . . . 26 GLN CA . 16118 1 173 . 1 1 26 26 GLN CB C 13 27.8 0.2 . 1 . . . . 26 GLN CB . 16118 1 174 . 1 1 26 26 GLN CG C 13 33.2 0.2 . 1 . . . . 26 GLN CG . 16118 1 175 . 1 1 26 26 GLN N N 15 121.9 0.02 . 1 . . . . 26 GLN N . 16118 1 176 . 1 1 26 26 GLN NE2 N 15 111.4 0.02 . 1 . . . . 26 GLN NE2 . 16118 1 177 . 1 1 27 27 LYS H H 1 7.34 0.02 . 1 . . . . 27 LYS H . 16118 1 178 . 1 1 27 27 LYS HA H 1 4.07 0.02 . 1 . . . . 27 LYS HA . 16118 1 179 . 1 1 27 27 LYS HE2 H 1 2.97 0.02 . 2 . . . . 27 LYS HE2 . 16118 1 180 . 1 1 27 27 LYS HE3 H 1 2.97 0.02 . 2 . . . . 27 LYS HE3 . 16118 1 181 . 1 1 27 27 LYS C C 13 177.9 0.2 . 1 . . . . 27 LYS C . 16118 1 182 . 1 1 27 27 LYS CA C 13 58.3 0.2 . 1 . . . . 27 LYS CA . 16118 1 183 . 1 1 27 27 LYS CB C 13 31.8 0.2 . 1 . . . . 27 LYS CB . 16118 1 184 . 1 1 27 27 LYS CD C 13 29.0 0.2 . 1 . . . . 27 LYS CD . 16118 1 185 . 1 1 27 27 LYS CE C 13 42.2 0.2 . 1 . . . . 27 LYS CE . 16118 1 186 . 1 1 27 27 LYS CG C 13 24.8 0.2 . 1 . . . . 27 LYS CG . 16118 1 187 . 1 1 27 27 LYS N N 15 117.7 0.2 . 1 . . . . 27 LYS N . 16118 1 188 . 1 1 28 28 VAL H H 1 7.57 0.02 . 1 . . . . 28 VAL H . 16118 1 189 . 1 1 28 28 VAL HA H 1 3.68 0.02 . 1 . . . . 28 VAL HA . 16118 1 190 . 1 1 28 28 VAL HB H 1 2.18 0.02 . 1 . . . . 28 VAL HB . 16118 1 191 . 1 1 28 28 VAL HG11 H 1 1.03 0.02 . 2 . . . . 28 VAL MG1 . 16118 1 192 . 1 1 28 28 VAL HG12 H 1 1.03 0.02 . 2 . . . . 28 VAL MG1 . 16118 1 193 . 1 1 28 28 VAL HG13 H 1 1.03 0.02 . 2 . . . . 28 VAL MG1 . 16118 1 194 . 1 1 28 28 VAL HG21 H 1 0.94 0.02 . 2 . . . . 28 VAL MG2 . 16118 1 195 . 1 1 28 28 VAL HG22 H 1 0.94 0.02 . 2 . . . . 28 VAL MG2 . 16118 1 196 . 1 1 28 28 VAL HG23 H 1 0.94 0.02 . 2 . . . . 28 VAL MG2 . 16118 1 197 . 1 1 28 28 VAL C C 13 178.6 0.2 . 1 . . . . 28 VAL C . 16118 1 198 . 1 1 28 28 VAL CA C 13 66.4 0.2 . 1 . . . . 28 VAL CA . 16118 1 199 . 1 1 28 28 VAL CB C 13 31.8 0.2 . 1 . . . . 28 VAL CB . 16118 1 200 . 1 1 28 28 VAL CG1 C 13 22.1 0.2 . 2 . . . . 28 VAL CG1 . 16118 1 201 . 1 1 28 28 VAL CG2 C 13 21.1 0.2 . 2 . . . . 28 VAL CG2 . 16118 1 202 . 1 1 28 28 VAL N N 15 119.9 0.2 . 1 . . . . 28 VAL N . 16118 1 203 . 1 1 29 29 ILE H H 1 8.18 0.02 . 1 . . . . 29 ILE H . 16118 1 204 . 1 1 29 29 ILE HA H 1 3.29 0.02 . 1 . . . . 29 ILE HA . 16118 1 205 . 1 1 29 29 ILE HB H 1 1.64 0.02 . 1 . . . . 29 ILE HB . 16118 1 206 . 1 1 29 29 ILE HD11 H 1 0.28 0.02 . 1 . . . . 29 ILE MD . 16118 1 207 . 1 1 29 29 ILE HD12 H 1 0.28 0.02 . 1 . . . . 29 ILE MD . 16118 1 208 . 1 1 29 29 ILE HD13 H 1 0.28 0.02 . 1 . . . . 29 ILE MD . 16118 1 209 . 1 1 29 29 ILE HG21 H 1 0.68 0.02 . 1 . . . . 29 ILE MG . 16118 1 210 . 1 1 29 29 ILE HG22 H 1 0.68 0.02 . 1 . . . . 29 ILE MG . 16118 1 211 . 1 1 29 29 ILE HG23 H 1 0.68 0.02 . 1 . . . . 29 ILE MG . 16118 1 212 . 1 1 29 29 ILE C C 13 177.5 0.2 . 1 . . . . 29 ILE C . 16118 1 213 . 1 1 29 29 ILE CA C 13 65.9 0.2 . 1 . . . . 29 ILE CA . 16118 1 214 . 1 1 29 29 ILE CB C 13 37.6 0.2 . 1 . . . . 29 ILE CB . 16118 1 215 . 1 1 29 29 ILE CD1 C 13 13.9 0.2 . 1 . . . . 29 ILE CD1 . 16118 1 216 . 1 1 29 29 ILE CG1 C 13 29.1 0.2 . 1 . . . . 29 ILE CG1 . 16118 1 217 . 1 1 29 29 ILE CG2 C 13 18.2 0.2 . 1 . . . . 29 ILE CG2 . 16118 1 218 . 1 1 29 29 ILE N N 15 118.5 0.2 . 1 . . . . 29 ILE N . 16118 1 219 . 1 1 30 30 GLU H H 1 8.37 0.02 . 1 . . . . 30 GLU H . 16118 1 220 . 1 1 30 30 GLU HA H 1 3.61 0.02 . 1 . . . . 30 GLU HA . 16118 1 221 . 1 1 30 30 GLU HB2 H 1 2.17 0.02 . 2 . . . . 30 GLU HB2 . 16118 1 222 . 1 1 30 30 GLU HB3 H 1 2.03 0.02 . 2 . . . . 30 GLU HB3 . 16118 1 223 . 1 1 30 30 GLU HG2 H 1 2.44 0.02 . 2 . . . . 30 GLU HG2 . 16118 1 224 . 1 1 30 30 GLU HG3 H 1 2.04 0.02 . 2 . . . . 30 GLU HG3 . 16118 1 225 . 1 1 30 30 GLU C C 13 179.0 0.2 . 1 . . . . 30 GLU C . 16118 1 226 . 1 1 30 30 GLU CA C 13 60.4 0.2 . 1 . . . . 30 GLU CA . 16118 1 227 . 1 1 30 30 GLU CB C 13 29.6 0.2 . 1 . . . . 30 GLU CB . 16118 1 228 . 1 1 30 30 GLU CG C 13 37.2 0.2 . 1 . . . . 30 GLU CG . 16118 1 229 . 1 1 30 30 GLU N N 15 119.2 0.2 . 1 . . . . 30 GLU N . 16118 1 230 . 1 1 31 31 ASP H H 1 8.71 0.02 . 1 . . . . 31 ASP H . 16118 1 231 . 1 1 31 31 ASP HA H 1 4.37 0.02 . 1 . . . . 31 ASP HA . 16118 1 232 . 1 1 31 31 ASP HB2 H 1 2.85 0.02 . 2 . . . . 31 ASP HB2 . 16118 1 233 . 1 1 31 31 ASP HB3 H 1 2.67 0.02 . 2 . . . . 31 ASP HB3 . 16118 1 234 . 1 1 31 31 ASP CA C 13 57.6 0.2 . 1 . . . . 31 ASP CA . 16118 1 235 . 1 1 31 31 ASP CB C 13 40.2 0.2 . 1 . . . . 31 ASP CB . 16118 1 236 . 1 1 31 31 ASP N N 15 125.1 0.2 . 1 . . . . 31 ASP N . 16118 1 237 . 1 1 32 32 LYS H H 1 8.43 0.02 . 1 . . . . 32 LYS H . 16118 1 238 . 1 1 32 32 LYS HA H 1 4.03 0.02 . 1 . . . . 32 LYS HA . 16118 1 239 . 1 1 32 32 LYS HB2 H 1 1.76 0.02 . 2 . . . . 32 LYS HB2 . 16118 1 240 . 1 1 32 32 LYS HB3 H 1 1.49 0.02 . 2 . . . . 32 LYS HB3 . 16118 1 241 . 1 1 32 32 LYS HG2 H 1 1.29 0.02 . 2 . . . . 32 LYS HG2 . 16118 1 242 . 1 1 32 32 LYS HG3 H 1 1.29 0.02 . 2 . . . . 32 LYS HG3 . 16118 1 243 . 1 1 32 32 LYS C C 13 180.3 0.2 . 1 . . . . 32 LYS C . 16118 1 244 . 1 1 32 32 LYS CA C 13 60.4 0.2 . 1 . . . . 32 LYS CA . 16118 1 245 . 1 1 32 32 LYS CB C 13 33.1 0.2 . 1 . . . . 32 LYS CB . 16118 1 246 . 1 1 32 32 LYS CD C 13 29.7 0.2 . 1 . . . . 32 LYS CD . 16118 1 247 . 1 1 32 32 LYS CG C 13 27.1 0.2 . 1 . . . . 32 LYS CG . 16118 1 248 . 1 1 32 32 LYS N N 15 120.7 0.2 . 1 . . . . 32 LYS N . 16118 1 249 . 1 1 33 33 LEU H H 1 8.58 0.02 . 1 . . . . 33 LEU H . 16118 1 250 . 1 1 33 33 LEU HA H 1 4.00 0.02 . 1 . . . . 33 LEU HA . 16118 1 251 . 1 1 33 33 LEU HB2 H 1 2.07 0.02 . 2 . . . . 33 LEU HB2 . 16118 1 252 . 1 1 33 33 LEU HB3 H 1 1.09 0.02 . 2 . . . . 33 LEU HB3 . 16118 1 253 . 1 1 33 33 LEU HD11 H 1 0.87 0.02 . 2 . . . . 33 LEU MD1 . 16118 1 254 . 1 1 33 33 LEU HD12 H 1 0.87 0.02 . 2 . . . . 33 LEU MD1 . 16118 1 255 . 1 1 33 33 LEU HD13 H 1 0.87 0.02 . 2 . . . . 33 LEU MD1 . 16118 1 256 . 1 1 33 33 LEU HD21 H 1 0.87 0.02 . 2 . . . . 33 LEU MD2 . 16118 1 257 . 1 1 33 33 LEU HD22 H 1 0.87 0.02 . 2 . . . . 33 LEU MD2 . 16118 1 258 . 1 1 33 33 LEU HD23 H 1 0.87 0.02 . 2 . . . . 33 LEU MD2 . 16118 1 259 . 1 1 33 33 LEU HG H 1 2.07 0.02 . 1 . . . . 33 LEU HG . 16118 1 260 . 1 1 33 33 LEU C C 13 179.2 0.2 . 1 . . . . 33 LEU C . 16118 1 261 . 1 1 33 33 LEU CA C 13 58.0 0.2 . 1 . . . . 33 LEU CA . 16118 1 262 . 1 1 33 33 LEU CB C 13 42.5 0.2 . 1 . . . . 33 LEU CB . 16118 1 263 . 1 1 33 33 LEU CD1 C 13 22.5 0.2 . 2 . . . . 33 LEU CD1 . 16118 1 264 . 1 1 33 33 LEU CD2 C 13 22.5 0.2 . 2 . . . . 33 LEU CD2 . 16118 1 265 . 1 1 33 33 LEU CG C 13 26.6 0.2 . 1 . . . . 33 LEU CG . 16118 1 266 . 1 1 33 33 LEU N N 15 117.2 0.2 . 1 . . . . 33 LEU N . 16118 1 267 . 1 1 34 34 SER H H 1 8.67 0.02 . 1 . . . . 34 SER H . 16118 1 268 . 1 1 34 34 SER HA H 1 4.10 0.02 . 1 . . . . 34 SER HA . 16118 1 269 . 1 1 34 34 SER HB2 H 1 3.90 0.02 . 2 . . . . 34 SER HB2 . 16118 1 270 . 1 1 34 34 SER HB3 H 1 3.90 0.02 . 2 . . . . 34 SER HB3 . 16118 1 271 . 1 1 34 34 SER C C 13 176.9 0.2 . 1 . . . . 34 SER C . 16118 1 272 . 1 1 34 34 SER CA C 13 62.5 0.2 . 1 . . . . 34 SER CA . 16118 1 273 . 1 1 34 34 SER CB C 13 62.5 0.2 . 1 . . . . 34 SER CB . 16118 1 274 . 1 1 34 34 SER N N 15 115.5 0.2 . 1 . . . . 34 SER N . 16118 1 275 . 1 1 35 35 SER H H 1 8.08 0.02 . 1 . . . . 35 SER H . 16118 1 276 . 1 1 35 35 SER HA H 1 4.20 0.02 . 1 . . . . 35 SER HA . 16118 1 277 . 1 1 35 35 SER HB2 H 1 3.95 0.02 . 2 . . . . 35 SER HB2 . 16118 1 278 . 1 1 35 35 SER HB3 H 1 3.92 0.02 . 2 . . . . 35 SER HB3 . 16118 1 279 . 1 1 35 35 SER C C 13 175.9 0.2 . 1 . . . . 35 SER C . 16118 1 280 . 1 1 35 35 SER CA C 13 60.9 0.2 . 1 . . . . 35 SER CA . 16118 1 281 . 1 1 35 35 SER CB C 13 62.9 0.2 . 1 . . . . 35 SER CB . 16118 1 282 . 1 1 35 35 SER N N 15 115.3 0.2 . 1 . . . . 35 SER N . 16118 1 283 . 1 1 36 36 ALA H H 1 7.57 0.02 . 1 . . . . 36 ALA H . 16118 1 284 . 1 1 36 36 ALA HA H 1 4.34 0.02 . 1 . . . . 36 ALA HA . 16118 1 285 . 1 1 36 36 ALA HB1 H 1 1.51 0.02 . 1 . . . . 36 ALA MB . 16118 1 286 . 1 1 36 36 ALA HB2 H 1 1.51 0.02 . 1 . . . . 36 ALA MB . 16118 1 287 . 1 1 36 36 ALA HB3 H 1 1.51 0.02 . 1 . . . . 36 ALA MB . 16118 1 288 . 1 1 36 36 ALA C C 13 179.2 0.2 . 1 . . . . 36 ALA C . 16118 1 289 . 1 1 36 36 ALA CA C 13 54.3 0.2 . 1 . . . . 36 ALA CA . 16118 1 290 . 1 1 36 36 ALA CB C 13 20.9 0.2 . 1 . . . . 36 ALA CB . 16118 1 291 . 1 1 36 36 ALA N N 15 119.0 0.2 . 1 . . . . 36 ALA N . 16118 1 292 . 1 1 37 37 LEU H H 1 7.96 0.02 . 1 . . . . 37 LEU H . 16118 1 293 . 1 1 37 37 LEU HA H 1 4.53 0.02 . 1 . . . . 37 LEU HA . 16118 1 294 . 1 1 37 37 LEU HB2 H 1 1.76 0.02 . 2 . . . . 37 LEU HB2 . 16118 1 295 . 1 1 37 37 LEU HB3 H 1 1.13 0.02 . 2 . . . . 37 LEU HB3 . 16118 1 296 . 1 1 37 37 LEU HD11 H 1 0.52 0.02 . 2 . . . . 37 LEU MD1 . 16118 1 297 . 1 1 37 37 LEU HD12 H 1 0.52 0.02 . 2 . . . . 37 LEU MD1 . 16118 1 298 . 1 1 37 37 LEU HD13 H 1 0.52 0.02 . 2 . . . . 37 LEU MD1 . 16118 1 299 . 1 1 37 37 LEU HD21 H 1 0.52 0.02 . 2 . . . . 37 LEU MD2 . 16118 1 300 . 1 1 37 37 LEU HD22 H 1 0.52 0.02 . 2 . . . . 37 LEU MD2 . 16118 1 301 . 1 1 37 37 LEU HD23 H 1 0.52 0.02 . 2 . . . . 37 LEU MD2 . 16118 1 302 . 1 1 37 37 LEU HG H 1 0.82 0.02 . 1 . . . . 37 LEU HG . 16118 1 303 . 1 1 37 37 LEU CA C 13 53.5 0.2 . 1 . . . . 37 LEU CA . 16118 1 304 . 1 1 37 37 LEU CB C 13 42.6 0.2 . 1 . . . . 37 LEU CB . 16118 1 305 . 1 1 37 37 LEU CD1 C 13 22.8 0.2 . 2 . . . . 37 LEU CD1 . 16118 1 306 . 1 1 37 37 LEU CD2 C 13 22.8 0.2 . 2 . . . . 37 LEU CD2 . 16118 1 307 . 1 1 37 37 LEU CG C 13 28.0 0.2 . 1 . . . . 37 LEU CG . 16118 1 308 . 1 1 37 37 LEU N N 15 111.8 0.2 . 1 . . . . 37 LEU N . 16118 1 309 . 1 1 38 38 LYS H H 1 7.60 0.02 . 1 . . . . 38 LYS H . 16118 1 310 . 1 1 38 38 LYS HA H 1 4.25 0.02 . 1 . . . . 38 LYS HA . 16118 1 311 . 1 1 38 38 LYS HB2 H 1 1.85 0.02 . 2 . . . . 38 LYS HB2 . 16118 1 312 . 1 1 38 38 LYS HB3 H 1 1.85 0.02 . 2 . . . . 38 LYS HB3 . 16118 1 313 . 1 1 38 38 LYS CA C 13 56.2 0.2 . 1 . . . . 38 LYS CA . 16118 1 314 . 1 1 38 38 LYS CB C 13 30.8 0.2 . 1 . . . . 38 LYS CB . 16118 1 315 . 1 1 38 38 LYS N N 15 117.2 0.2 . 1 . . . . 38 LYS N . 16118 1 316 . 1 1 39 39 PRO HA H 1 4.67 0.02 . 1 . . . . 39 PRO HA . 16118 1 317 . 1 1 39 39 PRO HB2 H 1 1.96 0.02 . 2 . . . . 39 PRO HB2 . 16118 1 318 . 1 1 39 39 PRO HB3 H 1 1.91 0.02 . 2 . . . . 39 PRO HB3 . 16118 1 319 . 1 1 39 39 PRO HD2 H 1 3.87 0.02 . 2 . . . . 39 PRO HD2 . 16118 1 320 . 1 1 39 39 PRO HD3 H 1 3.87 0.02 . 2 . . . . 39 PRO HD3 . 16118 1 321 . 1 1 39 39 PRO HG2 H 1 1.56 0.02 . 2 . . . . 39 PRO HG2 . 16118 1 322 . 1 1 39 39 PRO HG3 H 1 1.56 0.02 . 2 . . . . 39 PRO HG3 . 16118 1 323 . 1 1 39 39 PRO C C 13 178.1 0.2 . 1 . . . . 39 PRO C . 16118 1 324 . 1 1 39 39 PRO CA C 13 63.3 0.2 . 1 . . . . 39 PRO CA . 16118 1 325 . 1 1 39 39 PRO CB C 13 32.7 0.2 . 1 . . . . 39 PRO CB . 16118 1 326 . 1 1 39 39 PRO CD C 13 51.5 0.2 . 1 . . . . 39 PRO CD . 16118 1 327 . 1 1 39 39 PRO CG C 13 27.3 0.2 . 1 . . . . 39 PRO CG . 16118 1 328 . 1 1 40 40 THR H H 1 8.50 0.02 . 1 . . . . 40 THR H . 16118 1 329 . 1 1 40 40 THR HA H 1 4.29 0.02 . 1 . . . . 40 THR HA . 16118 1 330 . 1 1 40 40 THR HB H 1 5.25 0.02 . 1 . . . . 40 THR HB . 16118 1 331 . 1 1 40 40 THR HG21 H 1 1.28 0.02 . 1 . . . . 40 THR MG . 16118 1 332 . 1 1 40 40 THR HG22 H 1 1.28 0.02 . 1 . . . . 40 THR MG . 16118 1 333 . 1 1 40 40 THR HG23 H 1 1.28 0.02 . 1 . . . . 40 THR MG . 16118 1 334 . 1 1 40 40 THR C C 13 175.7 0.2 . 1 . . . . 40 THR C . 16118 1 335 . 1 1 40 40 THR CA C 13 63.2 0.2 . 1 . . . . 40 THR CA . 16118 1 336 . 1 1 40 40 THR CB C 13 67.6 0.2 . 1 . . . . 40 THR CB . 16118 1 337 . 1 1 40 40 THR CG2 C 13 22.8 0.2 . 1 . . . . 40 THR CG2 . 16118 1 338 . 1 1 40 40 THR N N 15 114.5 0.2 . 1 . . . . 40 THR N . 16118 1 339 . 1 1 41 41 PHE H H 1 7.30 0.02 . 1 . . . . 41 PHE H . 16118 1 340 . 1 1 41 41 PHE HA H 1 4.51 0.02 . 1 . . . . 41 PHE HA . 16118 1 341 . 1 1 41 41 PHE HB2 H 1 3.14 0.02 . 2 . . . . 41 PHE HB2 . 16118 1 342 . 1 1 41 41 PHE HB3 H 1 2.14 0.02 . 2 . . . . 41 PHE HB3 . 16118 1 343 . 1 1 41 41 PHE HD1 H 1 6.96 0.02 . 3 . . . . 41 PHE HD1 . 16118 1 344 . 1 1 41 41 PHE HD2 H 1 6.96 0.02 . 3 . . . . 41 PHE HD2 . 16118 1 345 . 1 1 41 41 PHE HE1 H 1 7.28 0.02 . 3 . . . . 41 PHE HE1 . 16118 1 346 . 1 1 41 41 PHE HE2 H 1 7.28 0.02 . 3 . . . . 41 PHE HE2 . 16118 1 347 . 1 1 41 41 PHE C C 13 171.5 0.2 . 1 . . . . 41 PHE C . 16118 1 348 . 1 1 41 41 PHE CA C 13 58.8 0.2 . 1 . . . . 41 PHE CA . 16118 1 349 . 1 1 41 41 PHE CB C 13 41.0 0.2 . 1 . . . . 41 PHE CB . 16118 1 350 . 1 1 41 41 PHE CD1 C 13 131.2 0.2 . 3 . . . . 41 PHE CD1 . 16118 1 351 . 1 1 41 41 PHE CD2 C 13 131.2 0.2 . 3 . . . . 41 PHE CD2 . 16118 1 352 . 1 1 41 41 PHE CE1 C 13 130.0 0.2 . 3 . . . . 41 PHE CE1 . 16118 1 353 . 1 1 41 41 PHE CE2 C 13 130.0 0. . 3 . . . . 41 PHE CE2 . 16118 1 354 . 1 1 41 41 PHE N N 15 121.1 0.2 . 1 . . . . 41 PHE N . 16118 1 355 . 1 1 42 42 LEU H H 1 7.53 0.02 . 1 . . . . 42 LEU H . 16118 1 356 . 1 1 42 42 LEU HA H 1 4.91 0.02 . 1 . . . . 42 LEU HA . 16118 1 357 . 1 1 42 42 LEU HB2 H 1 1.58 0.02 . 2 . . . . 42 LEU HB2 . 16118 1 358 . 1 1 42 42 LEU HB3 H 1 1.07 0.02 . 2 . . . . 42 LEU HB3 . 16118 1 359 . 1 1 42 42 LEU HD11 H 1 0.89 0.02 . 2 . . . . 42 LEU MD1 . 16118 1 360 . 1 1 42 42 LEU HD12 H 1 0.89 0.02 . 2 . . . . 42 LEU MD1 . 16118 1 361 . 1 1 42 42 LEU HD13 H 1 0.89 0.02 . 2 . . . . 42 LEU MD1 . 16118 1 362 . 1 1 42 42 LEU HD21 H 1 0.89 0.02 . 2 . . . . 42 LEU MD2 . 16118 1 363 . 1 1 42 42 LEU HD22 H 1 0.89 0.02 . 2 . . . . 42 LEU MD2 . 16118 1 364 . 1 1 42 42 LEU HD23 H 1 0.89 0.02 . 2 . . . . 42 LEU MD2 . 16118 1 365 . 1 1 42 42 LEU HG H 1 1.29 0.02 . 1 . . . . 42 LEU HG . 16118 1 366 . 1 1 42 42 LEU C C 13 173.7 0.2 . 1 . . . . 42 LEU C . 16118 1 367 . 1 1 42 42 LEU CA C 13 53.5 0.2 . 1 . . . . 42 LEU CA . 16118 1 368 . 1 1 42 42 LEU CB C 13 45.3 0.2 . 1 . . . . 42 LEU CB . 16118 1 369 . 1 1 42 42 LEU CD1 C 13 25.6 0.2 . 2 . . . . 42 LEU CD1 . 16118 1 370 . 1 1 42 42 LEU CD2 C 13 25.6 0.2 . 2 . . . . 42 LEU CD2 . 16118 1 371 . 1 1 42 42 LEU CG C 13 26.8 0.2 . 1 . . . . 42 LEU CG . 16118 1 372 . 1 1 42 42 LEU N N 15 129.1 0.2 . 1 . . . . 42 LEU N . 16118 1 373 . 1 1 43 43 GLU H H 1 8.69 0.02 . 1 . . . . 43 GLU H . 16118 1 374 . 1 1 43 43 GLU HA H 1 4.40 0.02 . 1 . . . . 43 GLU HA . 16118 1 375 . 1 1 43 43 GLU HB2 H 1 1.91 0.02 . 2 . . . . 43 GLU HB2 . 16118 1 376 . 1 1 43 43 GLU HB3 H 1 1.85 0.02 . 2 . . . . 43 GLU HB3 . 16118 1 377 . 1 1 43 43 GLU HG2 H 1 2.10 0.02 . 2 . . . . 43 GLU HG2 . 16118 1 378 . 1 1 43 43 GLU HG3 H 1 1.92 0.02 . 2 . . . . 43 GLU HG3 . 16118 1 379 . 1 1 43 43 GLU C C 13 173.5 0.2 . 1 . . . . 43 GLU C . 16118 1 380 . 1 1 43 43 GLU CA C 13 55.8 0.2 . 1 . . . . 43 GLU CA . 16118 1 381 . 1 1 43 43 GLU CB C 13 34.1 0.2 . 1 . . . . 43 GLU CB . 16118 1 382 . 1 1 43 43 GLU CG C 13 37.2 0.2 . 1 . . . . 43 GLU CG . 16118 1 383 . 1 1 43 43 GLU N N 15 126.9 0.2 . 1 . . . . 43 GLU N . 16118 1 384 . 1 1 44 44 LEU H H 1 9.00 0.02 . 1 . . . . 44 LEU H . 16118 1 385 . 1 1 44 44 LEU HA H 1 5.13 0.02 . 1 . . . . 44 LEU HA . 16118 1 386 . 1 1 44 44 LEU HB2 H 1 1.58 0.02 . 2 . . . . 44 LEU HB2 . 16118 1 387 . 1 1 44 44 LEU HB3 H 1 1.54 0.02 . 2 . . . . 44 LEU HB3 . 16118 1 388 . 1 1 44 44 LEU HD11 H 1 0.77 0.02 . 2 . . . . 44 LEU MD1 . 16118 1 389 . 1 1 44 44 LEU HD12 H 1 0.77 0.02 . 2 . . . . 44 LEU MD1 . 16118 1 390 . 1 1 44 44 LEU HD13 H 1 0.77 0.02 . 2 . . . . 44 LEU MD1 . 16118 1 391 . 1 1 44 44 LEU HD21 H 1 0.67 0.02 . 2 . . . . 44 LEU MD2 . 16118 1 392 . 1 1 44 44 LEU HD22 H 1 0.67 0.02 . 2 . . . . 44 LEU MD2 . 16118 1 393 . 1 1 44 44 LEU HD23 H 1 0.67 0.02 . 2 . . . . 44 LEU MD2 . 16118 1 394 . 1 1 44 44 LEU HG H 1 1.51 0.02 . 1 . . . . 44 LEU HG . 16118 1 395 . 1 1 44 44 LEU C C 13 175.1 0.2 . 1 . . . . 44 LEU C . 16118 1 396 . 1 1 44 44 LEU CA C 13 53.7 0.2 . 1 . . . . 44 LEU CA . 16118 1 397 . 1 1 44 44 LEU CB C 13 44.6 0.2 . 1 . . . . 44 LEU CB . 16118 1 398 . 1 1 44 44 LEU CD1 C 13 25.0 0.2 . 2 . . . . 44 LEU CD1 . 16118 1 399 . 1 1 44 44 LEU CD2 C 13 26.0 0.2 . 2 . . . . 44 LEU CD2 . 16118 1 400 . 1 1 44 44 LEU CG C 13 29.0 0.2 . 1 . . . . 44 LEU CG . 16118 1 401 . 1 1 44 44 LEU N N 15 129.9 0.2 . 1 . . . . 44 LEU N . 16118 1 402 . 1 1 45 45 VAL H H 1 9.00 0.02 . 1 . . . . 45 VAL H . 16118 1 403 . 1 1 45 45 VAL HA H 1 4.37 0.02 . 1 . . . . 45 VAL HA . 16118 1 404 . 1 1 45 45 VAL HB H 1 2.01 0.02 . 1 . . . . 45 VAL HB . 16118 1 405 . 1 1 45 45 VAL HG11 H 1 0.95 0.02 . 2 . . . . 45 VAL MG1 . 16118 1 406 . 1 1 45 45 VAL HG12 H 1 0.95 0.02 . 2 . . . . 45 VAL MG1 . 16118 1 407 . 1 1 45 45 VAL HG13 H 1 0.95 0.02 . 2 . . . . 45 VAL MG1 . 16118 1 408 . 1 1 45 45 VAL HG21 H 1 0.95 0.02 . 2 . . . . 45 VAL MG2 . 16118 1 409 . 1 1 45 45 VAL HG22 H 1 0.95 0.02 . 2 . . . . 45 VAL MG2 . 16118 1 410 . 1 1 45 45 VAL HG23 H 1 0.95 0.02 . 2 . . . . 45 VAL MG2 . 16118 1 411 . 1 1 45 45 VAL C C 13 175.1 0.2 . 1 . . . . 45 VAL C . 16118 1 412 . 1 1 45 45 VAL CA C 13 61.2 0.2 . 1 . . . . 45 VAL CA . 16118 1 413 . 1 1 45 45 VAL CB C 13 35.4 0.2 . 1 . . . . 45 VAL CB . 16118 1 414 . 1 1 45 45 VAL CG1 C 13 21.0 0.2 . 2 . . . . 45 VAL CG1 . 16118 1 415 . 1 1 45 45 VAL CG2 C 13 21.0 0.2 . 2 . . . . 45 VAL CG2 . 16118 1 416 . 1 1 45 45 VAL N N 15 122.3 0.2 . 1 . . . . 45 VAL N . 16118 1 417 . 1 1 46 46 ASP H H 1 9.08 0.02 . 1 . . . . 46 ASP H . 16118 1 418 . 1 1 46 46 ASP HA H 1 4.53 0.02 . 1 . . . . 46 ASP HA . 16118 1 419 . 1 1 46 46 ASP HB2 H 1 3.05 0.02 . 2 . . . . 46 ASP HB2 . 16118 1 420 . 1 1 46 46 ASP HB3 H 1 2.53 0.02 . 2 . . . . 46 ASP HB3 . 16118 1 421 . 1 1 46 46 ASP C C 13 176.9 0.2 . 1 . . . . 46 ASP C . 16118 1 422 . 1 1 46 46 ASP CA C 13 53.9 0.2 . 1 . . . . 46 ASP CA . 16118 1 423 . 1 1 46 46 ASP CB C 13 40.6 0.2 . 1 . . . . 46 ASP CB . 16118 1 424 . 1 1 46 46 ASP N N 15 127.4 0.2 . 1 . . . . 46 ASP N . 16118 1 425 . 1 1 47 47 LYS H H 1 8.49 0.02 . 1 . . . . 47 LYS H . 16118 1 426 . 1 1 47 47 LYS HA H 1 4.56 0.02 . 1 . . . . 47 LYS HA . 16118 1 427 . 1 1 47 47 LYS CA C 13 54.2 0.2 . 1 . . . . 47 LYS CA . 16118 1 428 . 1 1 47 47 LYS CB C 13 30.4 0.2 . 1 . . . . 47 LYS CB . 16118 1 429 . 1 1 47 47 LYS N N 15 129.5 0.2 . 1 . . . . 47 LYS N . 16118 1 430 . 1 1 54 54 SER HA H 1 5.55 0.02 . 1 . . . . 54 SER HA . 16118 1 431 . 1 1 54 54 SER HB2 H 1 3.54 0.02 . 2 . . . . 54 SER HB2 . 16118 1 432 . 1 1 54 54 SER HB3 H 1 3.54 0.02 . 2 . . . . 54 SER HB3 . 16118 1 433 . 1 1 54 54 SER C C 13 172.9 0.2 . 1 . . . . 54 SER C . 16118 1 434 . 1 1 54 54 SER CA C 13 57.3 0.2 . 1 . . . . 54 SER CA . 16118 1 435 . 1 1 54 54 SER CB C 13 65.8 0.2 . 1 . . . . 54 SER CB . 16118 1 436 . 1 1 55 55 PHE H H 1 8.34 0.02 . 1 . . . . 55 PHE H . 16118 1 437 . 1 1 55 55 PHE HA H 1 5.70 0.02 . 1 . . . . 55 PHE HA . 16118 1 438 . 1 1 55 55 PHE HB2 H 1 2.79 0.02 . 2 . . . . 55 PHE HB2 . 16118 1 439 . 1 1 55 55 PHE HB3 H 1 2.60 0.02 . 2 . . . . 55 PHE HB3 . 16118 1 440 . 1 1 55 55 PHE HD1 H 1 6.96 0.02 . 3 . . . . 55 PHE HD1 . 16118 1 441 . 1 1 55 55 PHE HD2 H 1 6.96 0.02 . 3 . . . . 55 PHE HD2 . 16118 1 442 . 1 1 55 55 PHE C C 13 174.4 0.2 . 1 . . . . 55 PHE C . 16118 1 443 . 1 1 55 55 PHE CA C 13 56.7 0.2 . 1 . . . . 55 PHE CA . 16118 1 444 . 1 1 55 55 PHE CB C 13 45.3 0.2 . 1 . . . . 55 PHE CB . 16118 1 445 . 1 1 55 55 PHE CD1 C 13 131.2 0.2 . 3 . . . . 55 PHE CD1 . 16118 1 446 . 1 1 55 55 PHE CD2 C 13 131.2 0.2 . 3 . . . . 55 PHE CD2 . 16118 1 447 . 1 1 55 55 PHE N N 15 119.6 0.2 . 1 . . . . 55 PHE N . 16118 1 448 . 1 1 56 56 ASP H H 1 8.84 0.02 . 1 . . . . 56 ASP H . 16118 1 449 . 1 1 56 56 ASP HA H 1 5.35 0.02 . 1 . . . . 56 ASP HA . 16118 1 450 . 1 1 56 56 ASP HB2 H 1 2.60 0.02 . 2 . . . . 56 ASP HB2 . 16118 1 451 . 1 1 56 56 ASP HB3 H 1 2.34 0.02 . 2 . . . . 56 ASP HB3 . 16118 1 452 . 1 1 56 56 ASP C C 13 174.4 0.2 . 1 . . . . 56 ASP C . 16118 1 453 . 1 1 56 56 ASP CA C 13 52.9 0.2 . 1 . . . . 56 ASP CA . 16118 1 454 . 1 1 56 56 ASP CB C 13 43.7 0.2 . 1 . . . . 56 ASP CB . 16118 1 455 . 1 1 56 56 ASP N N 15 121.5 0.2 . 1 . . . . 56 ASP N . 16118 1 456 . 1 1 57 57 ALA H H 1 8.78 0.02 . 1 . . . . 57 ALA H . 16118 1 457 . 1 1 57 57 ALA HA H 1 5.62 0.02 . 1 . . . . 57 ALA HA . 16118 1 458 . 1 1 57 57 ALA HB1 H 1 1.00 0.02 . 1 . . . . 57 ALA MB . 16118 1 459 . 1 1 57 57 ALA HB2 H 1 1.00 0.02 . 1 . . . . 57 ALA MB . 16118 1 460 . 1 1 57 57 ALA HB3 H 1 1.00 0.02 . 1 . . . . 57 ALA MB . 16118 1 461 . 1 1 57 57 ALA C C 13 176.4 0.2 . 1 . . . . 57 ALA C . 16118 1 462 . 1 1 57 57 ALA CA C 13 50.2 0.2 . 1 . . . . 57 ALA CA . 16118 1 463 . 1 1 57 57 ALA CB C 13 23.6 0.2 . 1 . . . . 57 ALA CB . 16118 1 464 . 1 1 57 57 ALA N N 15 125.0 0.2 . 1 . . . . 57 ALA N . 16118 1 465 . 1 1 58 58 VAL H H 1 9.08 0.02 . 1 . . . . 58 VAL H . 16118 1 466 . 1 1 58 58 VAL HA H 1 4.58 0.02 . 1 . . . . 58 VAL HA . 16118 1 467 . 1 1 58 58 VAL HB H 1 2.14 0.02 . 1 . . . . 58 VAL HB . 16118 1 468 . 1 1 58 58 VAL HG11 H 1 1.13 0.02 . 2 . . . . 58 VAL MG1 . 16118 1 469 . 1 1 58 58 VAL HG12 H 1 1.13 0.02 . 2 . . . . 58 VAL MG1 . 16118 1 470 . 1 1 58 58 VAL HG13 H 1 1.13 0.02 . 2 . . . . 58 VAL MG1 . 16118 1 471 . 1 1 58 58 VAL HG21 H 1 1.13 0.02 . 2 . . . . 58 VAL MG2 . 16118 1 472 . 1 1 58 58 VAL HG22 H 1 1.13 0.02 . 2 . . . . 58 VAL MG2 . 16118 1 473 . 1 1 58 58 VAL HG23 H 1 1.13 0.02 . 2 . . . . 58 VAL MG2 . 16118 1 474 . 1 1 58 58 VAL C C 13 175.0 0.2 . 1 . . . . 58 VAL C . 16118 1 475 . 1 1 58 58 VAL CA C 13 62.8 0.2 . 1 . . . . 58 VAL CA . 16118 1 476 . 1 1 58 58 VAL CB C 13 34.1 0.2 . 1 . . . . 58 VAL CB . 16118 1 477 . 1 1 58 58 VAL CG1 C 13 21.3 0.2 . 2 . . . . 58 VAL CG1 . 16118 1 478 . 1 1 58 58 VAL CG2 C 13 21.3 0.2 . 2 . . . . 58 VAL CG2 . 16118 1 479 . 1 1 58 58 VAL N N 15 125.1 0.2 . 1 . . . . 58 VAL N . 16118 1 480 . 1 1 59 59 ILE H H 1 8.75 0.02 . 1 . . . . 59 ILE H . 16118 1 481 . 1 1 59 59 ILE HA H 1 4.43 0.02 . 1 . . . . 59 ILE HA . 16118 1 482 . 1 1 59 59 ILE HB H 1 2.09 0.02 . 1 . . . . 59 ILE HB . 16118 1 483 . 1 1 59 59 ILE HD11 H 1 0.95 0.02 . 1 . . . . 59 ILE MD . 16118 1 484 . 1 1 59 59 ILE HD12 H 1 0.95 0.02 . 1 . . . . 59 ILE MD . 16118 1 485 . 1 1 59 59 ILE HD13 H 1 0.95 0.02 . 1 . . . . 59 ILE MD . 16118 1 486 . 1 1 59 59 ILE HG21 H 1 0.95 0.02 . 1 . . . . 59 ILE MG . 16118 1 487 . 1 1 59 59 ILE HG22 H 1 0.95 0.02 . 1 . . . . 59 ILE MG . 16118 1 488 . 1 1 59 59 ILE HG23 H 1 0.95 0.02 . 1 . . . . 59 ILE MG . 16118 1 489 . 1 1 59 59 ILE C C 13 173.9 0.2 . 1 . . . . 59 ILE C . 16118 1 490 . 1 1 59 59 ILE CA C 13 60.9 0.2 . 1 . . . . 59 ILE CA . 16118 1 491 . 1 1 59 59 ILE CB C 13 41.1 0.2 . 1 . . . . 59 ILE CB . 16118 1 492 . 1 1 59 59 ILE CD1 C 13 16.1 0.2 . 1 . . . . 59 ILE CD1 . 16118 1 493 . 1 1 59 59 ILE CG1 C 13 26.5 0.2 . 1 . . . . 59 ILE CG1 . 16118 1 494 . 1 1 59 59 ILE CG2 C 13 18.8 0.2 . 1 . . . . 59 ILE CG2 . 16118 1 495 . 1 1 59 59 ILE N N 15 125.0 0.02 . 1 . . . . 59 ILE N . 16118 1 496 . 1 1 60 60 VAL H H 1 8.54 0.02 . 1 . . . . 60 VAL H . 16118 1 497 . 1 1 60 60 VAL HA H 1 5.54 0.02 . 1 . . . . 60 VAL HA . 16118 1 498 . 1 1 60 60 VAL HB H 1 2.21 0.02 . 1 . . . . 60 VAL HB . 16118 1 499 . 1 1 60 60 VAL HG11 H 1 0.67 0.02 . 2 . . . . 60 VAL MG1 . 16118 1 500 . 1 1 60 60 VAL HG12 H 1 0.67 0.02 . 2 . . . . 60 VAL MG1 . 16118 1 501 . 1 1 60 60 VAL HG13 H 1 0.67 0.02 . 2 . . . . 60 VAL MG1 . 16118 1 502 . 1 1 60 60 VAL HG21 H 1 0.28 0.02 . 2 . . . . 60 VAL MG2 . 16118 1 503 . 1 1 60 60 VAL HG22 H 1 0.28 0.02 . 2 . . . . 60 VAL MG2 . 16118 1 504 . 1 1 60 60 VAL HG23 H 1 0.28 0.02 . 2 . . . . 60 VAL MG2 . 16118 1 505 . 1 1 60 60 VAL C C 13 175.9 0.2 . 1 . . . . 60 VAL C . 16118 1 506 . 1 1 60 60 VAL CA C 13 60.2 0.2 . 1 . . . . 60 VAL CA . 16118 1 507 . 1 1 60 60 VAL CB C 13 31.8 0.2 . 1 . . . . 60 VAL CB . 16118 1 508 . 1 1 60 60 VAL CG1 C 13 21.3 0.2 . 2 . . . . 60 VAL CG1 . 16118 1 509 . 1 1 60 60 VAL CG2 C 13 20.6 0.2 . 2 . . . . 60 VAL CG2 . 16118 1 510 . 1 1 60 60 VAL N N 15 128.6 0.2 . 1 . . . . 60 VAL N . 16118 1 511 . 1 1 61 61 SER H H 1 8.72 0.02 . 1 . . . . 61 SER H . 16118 1 512 . 1 1 61 61 SER HA H 1 5.00 0.02 . 1 . . . . 61 SER HA . 16118 1 513 . 1 1 61 61 SER HB2 H 1 3.31 0.02 . 2 . . . . 61 SER HB2 . 16118 1 514 . 1 1 61 61 SER HB3 H 1 3.31 0.02 . 2 . . . . 61 SER HB3 . 16118 1 515 . 1 1 61 61 SER C C 13 175.7 0.2 . 1 . . . . 61 SER C . 16118 1 516 . 1 1 61 61 SER CA C 13 56.5 0.2 . 1 . . . . 61 SER CA . 16118 1 517 . 1 1 61 61 SER CB C 13 64.4 0.2 . 1 . . . . 61 SER CB . 16118 1 518 . 1 1 61 61 SER N N 15 115.9 0.2 . 1 . . . . 61 SER N . 16118 1 519 . 1 1 62 62 ASN H H 1 9.65 0.02 . 1 . . . . 62 ASN H . 16118 1 520 . 1 1 62 62 ASN HA H 1 4.67 0.02 . 1 . . . . 62 ASN HA . 16118 1 521 . 1 1 62 62 ASN HB2 H 1 2.92 0.02 . 2 . . . . 62 ASN HB2 . 16118 1 522 . 1 1 62 62 ASN HB3 H 1 2.76 0.02 . 2 . . . . 62 ASN HB3 . 16118 1 523 . 1 1 62 62 ASN HD21 H 1 7.92 0.02 . 2 . . . . 62 ASN HD21 . 16118 1 524 . 1 1 62 62 ASN HD22 H 1 7.17 0.02 . 2 . . . . 62 ASN HD22 . 16118 1 525 . 1 1 62 62 ASN CA C 13 56.5 0.2 . 1 . . . . 62 ASN CA . 16118 1 526 . 1 1 62 62 ASN CB C 13 38.6 0.2 . 1 . . . . 62 ASN CB . 16118 1 527 . 1 1 62 62 ASN CG C 13 176.6 0.2 . 1 . . . . 62 ASN CG . 16118 1 528 . 1 1 62 62 ASN N N 15 129.4 0.02 . 1 . . . . 62 ASN N . 16118 1 529 . 1 1 62 62 ASN ND2 N 15 113.1 0.2 . 1 . . . . 62 ASN ND2 . 16118 1 530 . 1 1 63 63 ASN H H 1 8.92 0.02 . 1 . . . . 63 ASN H . 16118 1 531 . 1 1 63 63 ASN HA H 1 4.49 0.02 . 1 . . . . 63 ASN HA . 16118 1 532 . 1 1 63 63 ASN HB2 H 1 2.49 0.02 . 2 . . . . 63 ASN HB2 . 16118 1 533 . 1 1 63 63 ASN HB3 H 1 2.15 0.02 . 2 . . . . 63 ASN HB3 . 16118 1 534 . 1 1 63 63 ASN HD21 H 1 7.36 0.02 . 2 . . . . 63 ASN HD21 . 16118 1 535 . 1 1 63 63 ASN HD22 H 1 6.84 0.02 . 2 . . . . 63 ASN HD22 . 16118 1 536 . 1 1 63 63 ASN C C 13 175.2 0.2 . 1 . . . . 63 ASN C . 16118 1 537 . 1 1 63 63 ASN CA C 13 55.7 0.2 . 1 . . . . 63 ASN CA . 16118 1 538 . 1 1 63 63 ASN CB C 13 37.6 0.2 . 1 . . . . 63 ASN CB . 16118 1 539 . 1 1 63 63 ASN N N 15 119.5 0.02 . 1 . . . . 63 ASN N . 16118 1 540 . 1 1 63 63 ASN ND2 N 15 110.8 0.2 . 1 . . . . 63 ASN ND2 . 16118 1 541 . 1 1 64 64 PHE H H 1 6.95 0.02 . 1 . . . . 64 PHE H . 16118 1 542 . 1 1 64 64 PHE HA H 1 4.69 0.02 . 1 . . . . 64 PHE HA . 16118 1 543 . 1 1 64 64 PHE HB2 H 1 3.24 0.02 . 2 . . . . 64 PHE HB2 . 16118 1 544 . 1 1 64 64 PHE HB3 H 1 2.95 0.02 . 2 . . . . 64 PHE HB3 . 16118 1 545 . 1 1 64 64 PHE C C 13 174.2 0.2 . 1 . . . . 64 PHE C . 16118 1 546 . 1 1 64 64 PHE CA C 13 54.9 0.2 . 1 . . . . 64 PHE CA . 16118 1 547 . 1 1 64 64 PHE CB C 13 37.5 0.02 . 1 . . . . 64 PHE CB . 16118 1 548 . 1 1 64 64 PHE N N 15 113.7 0.2 . 1 . . . . 64 PHE N . 16118 1 549 . 1 1 65 65 GLU H H 1 7.47 0.02 . 1 . . . . 65 GLU H . 16118 1 550 . 1 1 65 65 GLU HA H 1 4.01 0.02 . 1 . . . . 65 GLU HA . 16118 1 551 . 1 1 65 65 GLU HB2 H 1 2.26 0.02 . 2 . . . . 65 GLU HB2 . 16118 1 552 . 1 1 65 65 GLU HB3 H 1 2.04 0.02 . 2 . . . . 65 GLU HB3 . 16118 1 553 . 1 1 65 65 GLU HG2 H 1 2.42 0.02 . 2 . . . . 65 GLU HG2 . 16118 1 554 . 1 1 65 65 GLU HG3 H 1 2.42 0.02 . 2 . . . . 65 GLU HG3 . 16118 1 555 . 1 1 65 65 GLU C C 13 174.8 0.2 . 1 . . . . 65 GLU C . 16118 1 556 . 1 1 65 65 GLU CA C 13 58.4 0.2 . 1 . . . . 65 GLU CA . 16118 1 557 . 1 1 65 65 GLU CB C 13 29.7 0.2 . 1 . . . . 65 GLU CB . 16118 1 558 . 1 1 65 65 GLU CG C 13 36.4 0.2 . 1 . . . . 65 GLU CG . 16118 1 559 . 1 1 65 65 GLU N N 15 120.5 0.2 . 1 . . . . 65 GLU N . 16118 1 560 . 1 1 66 66 ASP H H 1 9.01 0.02 . 1 . . . . 66 ASP H . 16118 1 561 . 1 1 66 66 ASP HA H 1 4.39 0.02 . 1 . . . . 66 ASP HA . 16118 1 562 . 1 1 66 66 ASP HB2 H 1 3.00 0.02 . 2 . . . . 66 ASP HB2 . 16118 1 563 . 1 1 66 66 ASP HB3 H 1 2.89 0.02 . 2 . . . . 66 ASP HB3 . 16118 1 564 . 1 1 66 66 ASP C C 13 175.0 0.2 . 1 . . . . 66 ASP C . 16118 1 565 . 1 1 66 66 ASP CA C 13 55.8 0.02 . 1 . . . . 66 ASP CA . 16118 1 566 . 1 1 66 66 ASP CB C 13 39.8 0.02 . 1 . . . . 66 ASP CB . 16118 1 567 . 1 1 66 66 ASP N N 15 119.2 0.2 . 1 . . . . 66 ASP N . 16118 1 568 . 1 1 67 67 LYS H H 1 7.80 0.02 . 1 . . . . 67 LYS H . 16118 1 569 . 1 1 67 67 LYS C C 13 177.4 0.2 . 1 . . . . 67 LYS C . 16118 1 570 . 1 1 67 67 LYS CA C 13 54.7 0.2 . 1 . . . . 67 LYS CA . 16118 1 571 . 1 1 67 67 LYS CB C 13 38.4 0.2 . 1 . . . . 67 LYS CB . 16118 1 572 . 1 1 67 67 LYS CD C 13 29.3 0.2 . 1 . . . . 67 LYS CD . 16118 1 573 . 1 1 67 67 LYS CE C 13 42.5 0.2 . 1 . . . . 67 LYS CE . 16118 1 574 . 1 1 67 67 LYS CG C 13 24.8 0.2 . 1 . . . . 67 LYS CG . 16118 1 575 . 1 1 67 67 LYS N N 15 117.2 0.2 . 1 . . . . 67 LYS N . 16118 1 576 . 1 1 68 68 LYS H H 1 9.34 0.02 . 1 . . . . 68 LYS H . 16118 1 577 . 1 1 68 68 LYS HA H 1 4.40 0.02 . 1 . . . . 68 LYS HA . 16118 1 578 . 1 1 68 68 LYS HB2 H 1 2.11 0.02 . 2 . . . . 68 LYS HB2 . 16118 1 579 . 1 1 68 68 LYS HB3 H 1 1.94 0.02 . 2 . . . . 68 LYS HB3 . 16118 1 580 . 1 1 68 68 LYS HD2 H 1 1.78 0.02 . 2 . . . . 68 LYS HD2 . 16118 1 581 . 1 1 68 68 LYS HD3 H 1 1.78 0.02 . 2 . . . . 68 LYS HD3 . 16118 1 582 . 1 1 68 68 LYS HE2 H 1 3.07 0.02 . 2 . . . . 68 LYS HE2 . 16118 1 583 . 1 1 68 68 LYS HE3 H 1 3.07 0.02 . 2 . . . . 68 LYS HE3 . 16118 1 584 . 1 1 68 68 LYS HG2 H 1 1.61 0.02 . 2 . . . . 68 LYS HG2 . 16118 1 585 . 1 1 68 68 LYS HG3 H 1 1.61 0.02 . 2 . . . . 68 LYS HG3 . 16118 1 586 . 1 1 68 68 LYS C C 13 177.5 0.2 . 1 . . . . 68 LYS C . 16118 1 587 . 1 1 68 68 LYS CA C 13 55.9 0.2 . 1 . . . . 68 LYS CA . 16118 1 588 . 1 1 68 68 LYS CB C 13 32.7 0.2 . 1 . . . . 68 LYS CB . 16118 1 589 . 1 1 68 68 LYS CD C 13 29.1 0.2 . 1 . . . . 68 LYS CD . 16118 1 590 . 1 1 68 68 LYS CE C 13 42.0 0.2 . 1 . . . . 68 LYS CE . 16118 1 591 . 1 1 68 68 LYS CG C 13 25.3 0.2 . 1 . . . . 68 LYS CG . 16118 1 592 . 1 1 68 68 LYS N N 15 125.8 0.2 . 1 . . . . 68 LYS N . 16118 1 593 . 1 1 69 69 LEU H H 1 8.71 0.02 . 1 . . . . 69 LEU H . 16118 1 594 . 1 1 69 69 LEU HA H 1 3.63 0.02 . 1 . . . . 69 LEU HA . 16118 1 595 . 1 1 69 69 LEU HB2 H 1 1.73 0.02 . 2 . . . . 69 LEU HB2 . 16118 1 596 . 1 1 69 69 LEU HB3 H 1 1.64 0.02 . 2 . . . . 69 LEU HB3 . 16118 1 597 . 1 1 69 69 LEU HD11 H 1 0.91 0.02 . 2 . . . . 69 LEU MD1 . 16118 1 598 . 1 1 69 69 LEU HD12 H 1 0.91 0.02 . 2 . . . . 69 LEU MD1 . 16118 1 599 . 1 1 69 69 LEU HD13 H 1 0.91 0.02 . 2 . . . . 69 LEU MD1 . 16118 1 600 . 1 1 69 69 LEU HD21 H 1 0.79 0.02 . 2 . . . . 69 LEU MD2 . 16118 1 601 . 1 1 69 69 LEU HD22 H 1 0.79 0.02 . 2 . . . . 69 LEU MD2 . 16118 1 602 . 1 1 69 69 LEU HD23 H 1 0.79 0.02 . 2 . . . . 69 LEU MD2 . 16118 1 603 . 1 1 69 69 LEU C C 13 178.4 0.2 . 1 . . . . 69 LEU C . 16118 1 604 . 1 1 69 69 LEU CA C 13 60.3 0.2 . 1 . . . . 69 LEU CA . 16118 1 605 . 1 1 69 69 LEU CB C 13 41.6 0.2 . 1 . . . . 69 LEU CB . 16118 1 606 . 1 1 69 69 LEU CD1 C 13 24.5 0.2 . 2 . . . . 69 LEU CD1 . 16118 1 607 . 1 1 69 69 LEU CD2 C 13 24.5 0.2 . 2 . . . . 69 LEU CD2 . 16118 1 608 . 1 1 69 69 LEU N N 15 124.3 0.2 . 1 . . . . 69 LEU N . 16118 1 609 . 1 1 70 70 LEU H H 1 8.70 0.02 . 1 . . . . 70 LEU H . 16118 1 610 . 1 1 70 70 LEU HA H 1 3.93 0.02 . 1 . . . . 70 LEU HA . 16118 1 611 . 1 1 70 70 LEU HB2 H 1 1.68 0.02 . 2 . . . . 70 LEU HB2 . 16118 1 612 . 1 1 70 70 LEU HB3 H 1 1.48 0.02 . 2 . . . . 70 LEU HB3 . 16118 1 613 . 1 1 70 70 LEU HD11 H 1 0.94 0.02 . 2 . . . . 70 LEU MD1 . 16118 1 614 . 1 1 70 70 LEU HD12 H 1 0.94 0.02 . 2 . . . . 70 LEU MD1 . 16118 1 615 . 1 1 70 70 LEU HD13 H 1 0.94 0.02 . 2 . . . . 70 LEU MD1 . 16118 1 616 . 1 1 70 70 LEU HD21 H 1 0.88 0.02 . 2 . . . . 70 LEU MD2 . 16118 1 617 . 1 1 70 70 LEU HD22 H 1 0.88 0.02 . 2 . . . . 70 LEU MD2 . 16118 1 618 . 1 1 70 70 LEU HD23 H 1 0.88 0.02 . 2 . . . . 70 LEU MD2 . 16118 1 619 . 1 1 70 70 LEU HG H 1 1.64 0.02 . 1 . . . . 70 LEU HG . 16118 1 620 . 1 1 70 70 LEU C C 13 179.4 0.2 . 1 . . . . 70 LEU C . 16118 1 621 . 1 1 70 70 LEU CA C 13 58.2 0.2 . 1 . . . . 70 LEU CA . 16118 1 622 . 1 1 70 70 LEU CB C 13 41.7 0.2 . 1 . . . . 70 LEU CB . 16118 1 623 . 1 1 70 70 LEU CD1 C 13 24.5 0.2 . 2 . . . . 70 LEU CD1 . 16118 1 624 . 1 1 70 70 LEU CD2 C 13 24.0 0.2 . 2 . . . . 70 LEU CD2 . 16118 1 625 . 1 1 70 70 LEU CG C 13 27.2 0.2 . 1 . . . . 70 LEU CG . 16118 1 626 . 1 1 70 70 LEU N N 15 116.1 0.2 . 1 . . . . 70 LEU N . 16118 1 627 . 1 1 71 71 ASP H H 1 7.13 0.02 . 1 . . . . 71 ASP H . 16118 1 628 . 1 1 71 71 ASP HA H 1 4.66 0.02 . 1 . . . . 71 ASP HA . 16118 1 629 . 1 1 71 71 ASP HB2 H 1 2.82 0.02 . 2 . . . . 71 ASP HB2 . 16118 1 630 . 1 1 71 71 ASP HB3 H 1 2.74 0.02 . 2 . . . . 71 ASP HB3 . 16118 1 631 . 1 1 71 71 ASP C C 13 179.0 0.2 . 1 . . . . 71 ASP C . 16118 1 632 . 1 1 71 71 ASP CA C 13 57.1 0.2 . 1 . . . . 71 ASP CA . 16118 1 633 . 1 1 71 71 ASP CB C 13 40.8 0.2 . 1 . . . . 71 ASP CB . 16118 1 634 . 1 1 71 71 ASP N N 15 117.6 0.2 . 1 . . . . 71 ASP N . 16118 1 635 . 1 1 72 72 ARG H H 1 8.19 0.02 . 1 . . . . 72 ARG H . 16118 1 636 . 1 1 72 72 ARG HA H 1 3.93 0.02 . 1 . . . . 72 ARG HA . 16118 1 637 . 1 1 72 72 ARG C C 13 177.0 0.2 . 1 . . . . 72 ARG C . 16118 1 638 . 1 1 72 72 ARG CA C 13 60.1 0.2 . 1 . . . . 72 ARG CA . 16118 1 639 . 1 1 72 72 ARG CB C 13 29.3 0.2 . 1 . . . . 72 ARG CB . 16118 1 640 . 1 1 72 72 ARG CD C 13 43.6 0.2 . 1 . . . . 72 ARG CD . 16118 1 641 . 1 1 72 72 ARG CG C 13 27.2 0.2 . 1 . . . . 72 ARG CG . 16118 1 642 . 1 1 72 72 ARG N N 15 122.2 0.2 . 1 . . . . 72 ARG N . 16118 1 643 . 1 1 73 73 HIS H H 1 8.03 0.02 . 1 . . . . 73 HIS H . 16118 1 644 . 1 1 73 73 HIS HA H 1 4.10 0.02 . 1 . . . . 73 HIS HA . 16118 1 645 . 1 1 73 73 HIS HB2 H 1 3.26 0.02 . 2 . . . . 73 HIS HB2 . 16118 1 646 . 1 1 73 73 HIS HB3 H 1 3.07 0.02 . 2 . . . . 73 HIS HB3 . 16118 1 647 . 1 1 73 73 HIS HD2 H 1 6.88 0.02 . 1 . . . . 73 HIS HD2 . 16118 1 648 . 1 1 73 73 HIS C C 13 177.3 0.2 . 1 . . . . 73 HIS C . 16118 1 649 . 1 1 73 73 HIS CA C 13 58.1 0.2 . 1 . . . . 73 HIS CA . 16118 1 650 . 1 1 73 73 HIS CB C 13 30.2 0.2 . 1 . . . . 73 HIS CB . 16118 1 651 . 1 1 73 73 HIS CD2 C 13 118.6 0.2 . 1 . . . . 73 HIS CD2 . 16118 1 652 . 1 1 73 73 HIS N N 15 116.8 0.2 . 1 . . . . 73 HIS N . 16118 1 653 . 1 1 74 74 ARG H H 1 8.29 0.02 . 1 . . . . 74 ARG H . 16118 1 654 . 1 1 74 74 ARG HA H 1 4.08 0.02 . 1 . . . . 74 ARG HA . 16118 1 655 . 1 1 74 74 ARG HB2 H 1 2.01 0.02 . 2 . . . . 74 ARG HB2 . 16118 1 656 . 1 1 74 74 ARG HB3 H 1 2.01 0.02 . 2 . . . . 74 ARG HB3 . 16118 1 657 . 1 1 74 74 ARG HD2 H 1 3.27 0.02 . 2 . . . . 74 ARG HD2 . 16118 1 658 . 1 1 74 74 ARG HD3 H 1 3.27 0.02 . 2 . . . . 74 ARG HD3 . 16118 1 659 . 1 1 74 74 ARG HG2 H 1 1.88 0.02 . 2 . . . . 74 ARG HG2 . 16118 1 660 . 1 1 74 74 ARG HG3 H 1 1.68 0.02 . 2 . . . . 74 ARG HG3 . 16118 1 661 . 1 1 74 74 ARG C C 13 178.7 0.2 . 1 . . . . 74 ARG C . 16118 1 662 . 1 1 74 74 ARG CA C 13 59.7 0.2 . 1 . . . . 74 ARG CA . 16118 1 663 . 1 1 74 74 ARG CB C 13 30.4 0.2 . 1 . . . . 74 ARG CB . 16118 1 664 . 1 1 74 74 ARG CD C 13 43.5 0.2 . 1 . . . . 74 ARG CD . 16118 1 665 . 1 1 74 74 ARG CG C 13 27.7 0.2 . 1 . . . . 74 ARG CG . 16118 1 666 . 1 1 74 74 ARG N N 15 118.2 0.2 . 1 . . . . 74 ARG N . 16118 1 667 . 1 1 75 75 LEU H H 1 7.74 0.02 . 1 . . . . 75 LEU H . 16118 1 668 . 1 1 75 75 LEU HA H 1 4.27 0.02 . 1 . . . . 75 LEU HA . 16118 1 669 . 1 1 75 75 LEU HB2 H 1 2.19 0.02 . 2 . . . . 75 LEU HB2 . 16118 1 670 . 1 1 75 75 LEU HB3 H 1 1.88 0.02 . 2 . . . . 75 LEU HB3 . 16118 1 671 . 1 1 75 75 LEU HD11 H 1 0.95 0.02 . 2 . . . . 75 LEU MD1 . 16118 1 672 . 1 1 75 75 LEU HD12 H 1 0.95 0.02 . 2 . . . . 75 LEU MD1 . 16118 1 673 . 1 1 75 75 LEU HD13 H 1 0.95 0.02 . 2 . . . . 75 LEU MD1 . 16118 1 674 . 1 1 75 75 LEU HD21 H 1 0.95 0.02 . 2 . . . . 75 LEU MD2 . 16118 1 675 . 1 1 75 75 LEU HD22 H 1 0.95 0.02 . 2 . . . . 75 LEU MD2 . 16118 1 676 . 1 1 75 75 LEU HD23 H 1 0.95 0.02 . 2 . . . . 75 LEU MD2 . 16118 1 677 . 1 1 75 75 LEU HG H 1 1.73 0.02 . 1 . . . . 75 LEU HG . 16118 1 678 . 1 1 75 75 LEU CA C 13 58.3 0.2 . 1 . . . . 75 LEU CA . 16118 1 679 . 1 1 75 75 LEU CB C 13 42.0 0.2 . 1 . . . . 75 LEU CB . 16118 1 680 . 1 1 75 75 LEU CD1 C 13 22.9 0.2 . 2 . . . . 75 LEU CD1 . 16118 1 681 . 1 1 75 75 LEU CD2 C 13 22.9 0.2 . 2 . . . . 75 LEU CD2 . 16118 1 682 . 1 1 75 75 LEU CG C 13 25.9 0.2 . 1 . . . . 75 LEU CG . 16118 1 683 . 1 1 75 75 LEU N N 15 121.2 0.2 . 1 . . . . 75 LEU N . 16118 1 684 . 1 1 76 76 VAL H H 1 7.59 0.02 . 1 . . . . 76 VAL H . 16118 1 685 . 1 1 76 76 VAL HA H 1 3.36 0.02 . 1 . . . . 76 VAL HA . 16118 1 686 . 1 1 76 76 VAL HB H 1 1.99 0.02 . 1 . . . . 76 VAL HB . 16118 1 687 . 1 1 76 76 VAL HG11 H 1 1.22 0.02 . 2 . . . . 76 VAL MG1 . 16118 1 688 . 1 1 76 76 VAL HG12 H 1 1.22 0.02 . 2 . . . . 76 VAL MG1 . 16118 1 689 . 1 1 76 76 VAL HG13 H 1 1.22 0.02 . 2 . . . . 76 VAL MG1 . 16118 1 690 . 1 1 76 76 VAL HG21 H 1 0.88 0.02 . 2 . . . . 76 VAL MG2 . 16118 1 691 . 1 1 76 76 VAL HG22 H 1 0.88 0.02 . 2 . . . . 76 VAL MG2 . 16118 1 692 . 1 1 76 76 VAL HG23 H 1 0.88 0.02 . 2 . . . . 76 VAL MG2 . 16118 1 693 . 1 1 76 76 VAL C C 13 176.8 0.2 . 1 . . . . 76 VAL C . 16118 1 694 . 1 1 76 76 VAL CA C 13 67.5 0.2 . 1 . . . . 76 VAL CA . 16118 1 695 . 1 1 76 76 VAL CB C 13 31.5 0.2 . 1 . . . . 76 VAL CB . 16118 1 696 . 1 1 76 76 VAL CG1 C 13 23.7 0.2 . 2 . . . . 76 VAL CG1 . 16118 1 697 . 1 1 76 76 VAL CG2 C 13 21.8 0.2 . 2 . . . . 76 VAL CG2 . 16118 1 698 . 1 1 76 76 VAL N N 15 119.3 0.2 . 1 . . . . 76 VAL N . 16118 1 699 . 1 1 77 77 ASN H H 1 8.69 0.02 . 1 . . . . 77 ASN H . 16118 1 700 . 1 1 77 77 ASN HA H 1 4.19 0.02 . 1 . . . . 77 ASN HA . 16118 1 701 . 1 1 77 77 ASN HB2 H 1 2.79 0.02 . 2 . . . . 77 ASN HB2 . 16118 1 702 . 1 1 77 77 ASN HB3 H 1 2.56 0.02 . 2 . . . . 77 ASN HB3 . 16118 1 703 . 1 1 77 77 ASN HD21 H 1 7.15 0.02 . 2 . . . . 77 ASN HD21 . 16118 1 704 . 1 1 77 77 ASN HD22 H 1 6.46 0.02 . 2 . . . . 77 ASN HD22 . 16118 1 705 . 1 1 77 77 ASN C C 13 178.0 0.2 . 1 . . . . 77 ASN C . 16118 1 706 . 1 1 77 77 ASN CA C 13 55.4 0.2 . 1 . . . . 77 ASN CA . 16118 1 707 . 1 1 77 77 ASN CB C 13 37.6 0.2 . 1 . . . . 77 ASN CB . 16118 1 708 . 1 1 77 77 ASN N N 15 117.1 0.2 . 1 . . . . 77 ASN N . 16118 1 709 . 1 1 77 77 ASN ND2 N 15 106.8 0.2 . 1 . . . . 77 ASN ND2 . 16118 1 710 . 1 1 78 78 THR H H 1 8.05 0.02 . 1 . . . . 78 THR H . 16118 1 711 . 1 1 78 78 THR HA H 1 3.97 0.02 . 1 . . . . 78 THR HA . 16118 1 712 . 1 1 78 78 THR HB H 1 4.45 0.02 . 1 . . . . 78 THR HB . 16118 1 713 . 1 1 78 78 THR HG21 H 1 1.28 0.02 . 1 . . . . 78 THR MG . 16118 1 714 . 1 1 78 78 THR HG22 H 1 1.28 0.02 . 1 . . . . 78 THR MG . 16118 1 715 . 1 1 78 78 THR HG23 H 1 1.28 0.02 . 1 . . . . 78 THR MG . 16118 1 716 . 1 1 78 78 THR C C 13 176.9 0.2 . 1 . . . . 78 THR C . 16118 1 717 . 1 1 78 78 THR CA C 13 66.7 0.2 . 1 . . . . 78 THR CA . 16118 1 718 . 1 1 78 78 THR CB C 13 68.8 0.2 . 1 . . . . 78 THR CB . 16118 1 719 . 1 1 78 78 THR CG2 C 13 21.2 0.2 . 1 . . . . 78 THR CG2 . 16118 1 720 . 1 1 78 78 THR N N 15 116.3 0.2 . 1 . . . . 78 THR N . 16118 1 721 . 1 1 79 79 ILE H H 1 8.02 0.02 . 1 . . . . 79 ILE H . 16118 1 722 . 1 1 79 79 ILE HA H 1 3.67 0.02 . 1 . . . . 79 ILE HA . 16118 1 723 . 1 1 79 79 ILE HB H 1 1.86 0.02 . 1 . . . . 79 ILE HB . 16118 1 724 . 1 1 79 79 ILE HD11 H 1 0.77 0.02 . 1 . . . . 79 ILE MD . 16118 1 725 . 1 1 79 79 ILE HD12 H 1 0.77 0.02 . 1 . . . . 79 ILE MD . 16118 1 726 . 1 1 79 79 ILE HD13 H 1 0.77 0.02 . 1 . . . . 79 ILE MD . 16118 1 727 . 1 1 79 79 ILE HG21 H 1 0.77 0.02 . 1 . . . . 79 ILE MG . 16118 1 728 . 1 1 79 79 ILE HG22 H 1 0.77 0.02 . 1 . . . . 79 ILE MG . 16118 1 729 . 1 1 79 79 ILE HG23 H 1 0.77 0.02 . 1 . . . . 79 ILE MG . 16118 1 730 . 1 1 79 79 ILE CA C 13 65.0 0.2 . 1 . . . . 79 ILE CA . 16118 1 731 . 1 1 79 79 ILE CB C 13 38.5 0.2 . 1 . . . . 79 ILE CB . 16118 1 732 . 1 1 79 79 ILE CD1 C 13 15.1 0.2 . 1 . . . . 79 ILE CD1 . 16118 1 733 . 1 1 79 79 ILE CG2 C 13 17.7 0.2 . 1 . . . . 79 ILE CG2 . 16118 1 734 . 1 1 79 79 ILE N N 15 124.8 0.2 . 1 . . . . 79 ILE N . 16118 1 735 . 1 1 80 80 LEU H H 1 7.77 0.02 . 1 . . . . 80 LEU H . 16118 1 736 . 1 1 80 80 LEU HB2 H 1 1.57 0.02 . 2 . . . . 80 LEU HB2 . 16118 1 737 . 1 1 80 80 LEU HB3 H 1 1.46 0.02 . 2 . . . . 80 LEU HB3 . 16118 1 738 . 1 1 80 80 LEU HD11 H 1 0.71 0.02 . 2 . . . . 80 LEU MD1 . 16118 1 739 . 1 1 80 80 LEU HD12 H 1 0.71 0.02 . 2 . . . . 80 LEU MD1 . 16118 1 740 . 1 1 80 80 LEU HD13 H 1 0.71 0.02 . 2 . . . . 80 LEU MD1 . 16118 1 741 . 1 1 80 80 LEU HD21 H 1 0.71 0.02 . 2 . . . . 80 LEU MD2 . 16118 1 742 . 1 1 80 80 LEU HD22 H 1 0.71 0.02 . 2 . . . . 80 LEU MD2 . 16118 1 743 . 1 1 80 80 LEU HD23 H 1 0.71 0.02 . 2 . . . . 80 LEU MD2 . 16118 1 744 . 1 1 80 80 LEU HG H 1 0.32 0.02 . 1 . . . . 80 LEU HG . 16118 1 745 . 1 1 80 80 LEU C C 13 176.0 0.2 . 1 . . . . 80 LEU C . 16118 1 746 . 1 1 80 80 LEU CA C 13 52.9 0.2 . 1 . . . . 80 LEU CA . 16118 1 747 . 1 1 80 80 LEU CB C 13 41.1 0.2 . 1 . . . . 80 LEU CB . 16118 1 748 . 1 1 80 80 LEU CD1 C 13 22.8 0.2 . 2 . . . . 80 LEU CD1 . 16118 1 749 . 1 1 80 80 LEU CD2 C 13 22.8 0.2 . 2 . . . . 80 LEU CD2 . 16118 1 750 . 1 1 80 80 LEU CG C 13 27.0 0.2 . 1 . . . . 80 LEU CG . 16118 1 751 . 1 1 80 80 LEU N N 15 115.2 0.2 . 1 . . . . 80 LEU N . 16118 1 752 . 1 1 81 81 LYS H H 1 6.88 0.02 . 1 . . . . 81 LYS H . 16118 1 753 . 1 1 81 81 LYS HA H 1 3.82 0.02 . 1 . . . . 81 LYS HA . 16118 1 754 . 1 1 81 81 LYS HB2 H 1 2.08 0.02 . 1 . . . . 81 LYS HB2 . 16118 1 755 . 1 1 81 81 LYS HB3 H 1 1.87 0.02 . 2 . . . . 81 LYS HB3 . 16118 1 756 . 1 1 81 81 LYS HD2 H 1 1.73 0.02 . 2 . . . . 81 LYS HD2 . 16118 1 757 . 1 1 81 81 LYS HD3 H 1 1.73 0.02 . 2 . . . . 81 LYS HD3 . 16118 1 758 . 1 1 81 81 LYS HE2 H 1 3.01 0.02 . 2 . . . . 81 LYS HE2 . 16118 1 759 . 1 1 81 81 LYS HE3 H 1 3.01 0.02 . 2 . . . . 81 LYS HE3 . 16118 1 760 . 1 1 81 81 LYS HG2 H 1 1.42 0.02 . 2 . . . . 81 LYS HG2 . 16118 1 761 . 1 1 81 81 LYS HG3 H 1 1.42 0.02 . 2 . . . . 81 LYS HG3 . 16118 1 762 . 1 1 81 81 LYS C C 13 178.4 0.2 . 1 . . . . 81 LYS C . 16118 1 763 . 1 1 81 81 LYS CA C 13 60.7 0.2 . 1 . . . . 81 LYS CA . 16118 1 764 . 1 1 81 81 LYS CB C 13 32.8 0.2 . 1 . . . . 81 LYS CB . 16118 1 765 . 1 1 81 81 LYS CD C 13 29.5 0.2 . 1 . . . . 81 LYS CD . 16118 1 766 . 1 1 81 81 LYS CE C 13 42.1 0.2 . 1 . . . . 81 LYS CE . 16118 1 767 . 1 1 81 81 LYS CG C 13 23.9 0.2 . 1 . . . . 81 LYS CG . 16118 1 768 . 1 1 81 81 LYS N N 15 120.3 0.2 . 1 . . . . 81 LYS N . 16118 1 769 . 1 1 82 82 GLU H H 1 8.62 0.02 . 1 . . . . 82 GLU H . 16118 1 770 . 1 1 82 82 GLU HA H 1 4.02 0.02 . 1 . . . . 82 GLU HA . 16118 1 771 . 1 1 82 82 GLU HG2 H 1 2.45 0.02 . 2 . . . . 82 GLU HG2 . 16118 1 772 . 1 1 82 82 GLU HG3 H 1 2.45 0.02 . 2 . . . . 82 GLU HG3 . 16118 1 773 . 1 1 82 82 GLU C C 13 178.5 0.2 . 1 . . . . 82 GLU C . 16118 1 774 . 1 1 82 82 GLU CA C 13 59.0 0.2 . 1 . . . . 82 GLU CA . 16118 1 775 . 1 1 82 82 GLU CB C 13 28.7 0.2 . 1 . . . . 82 GLU CB . 16118 1 776 . 1 1 82 82 GLU CG C 13 36.4 0.2 . 1 . . . . 82 GLU CG . 16118 1 777 . 1 1 82 82 GLU N N 15 116.7 0.2 . 1 . . . . 82 GLU N . 16118 1 778 . 1 1 83 83 GLU H H 1 8.07 0.02 . 1 . . . . 83 GLU H . 16118 1 779 . 1 1 83 83 GLU HA H 1 3.98 0.02 . 1 . . . . 83 GLU HA . 16118 1 780 . 1 1 83 83 GLU HB2 H 1 1.88 0.02 . 2 . . . . 83 GLU HB2 . 16118 1 781 . 1 1 83 83 GLU HB3 H 1 1.88 0.02 . 2 . . . . 83 GLU HB3 . 16118 1 782 . 1 1 83 83 GLU HG2 H 1 2.12 0.02 . 2 . . . . 83 GLU HG2 . 16118 1 783 . 1 1 83 83 GLU HG3 H 1 2.04 0.02 . 2 . . . . 83 GLU HG3 . 16118 1 784 . 1 1 83 83 GLU C C 13 179.3 0.2 . 1 . . . . 83 GLU C . 16118 1 785 . 1 1 83 83 GLU CA C 13 60.9 0.2 . 1 . . . . 83 GLU CA . 16118 1 786 . 1 1 83 83 GLU CB C 13 28.9 0.2 . 1 . . . . 83 GLU CB . 16118 1 787 . 1 1 83 83 GLU CG C 13 38.4 0.2 . 1 . . . . 83 GLU CG . 16118 1 788 . 1 1 83 83 GLU N N 15 120.3 0.2 . 1 . . . . 83 GLU N . 16118 1 789 . 1 1 84 84 LEU H H 1 8.48 0.02 . 1 . . . . 84 LEU H . 16118 1 790 . 1 1 84 84 LEU HA H 1 3.91 0.02 . 1 . . . . 84 LEU HA . 16118 1 791 . 1 1 84 84 LEU HB2 H 1 1.63 0.02 . 2 . . . . 84 LEU HB2 . 16118 1 792 . 1 1 84 84 LEU HB3 H 1 1.42 0.02 . 2 . . . . 84 LEU HB3 . 16118 1 793 . 1 1 84 84 LEU HD11 H 1 0.33 0.02 . 2 . . . . 84 LEU MD1 . 16118 1 794 . 1 1 84 84 LEU HD12 H 1 0.33 0.02 . 2 . . . . 84 LEU MD1 . 16118 1 795 . 1 1 84 84 LEU HD13 H 1 0.33 0.02 . 2 . . . . 84 LEU MD1 . 16118 1 796 . 1 1 84 84 LEU HD21 H 1 0.33 0.02 . 2 . . . . 84 LEU MD2 . 16118 1 797 . 1 1 84 84 LEU HD22 H 1 0.33 0.02 . 2 . . . . 84 LEU MD2 . 16118 1 798 . 1 1 84 84 LEU HD23 H 1 0.33 0.02 . 2 . . . . 84 LEU MD2 . 16118 1 799 . 1 1 84 84 LEU HG H 1 0.67 0.02 . 1 . . . . 84 LEU HG . 16118 1 800 . 1 1 84 84 LEU C C 13 178.2 0.2 . 1 . . . . 84 LEU C . 16118 1 801 . 1 1 84 84 LEU CA C 13 57.0 0.2 . 1 . . . . 84 LEU CA . 16118 1 802 . 1 1 84 84 LEU CB C 13 40.8 0.2 . 1 . . . . 84 LEU CB . 16118 1 803 . 1 1 84 84 LEU CD1 C 13 21.1 0.2 . 2 . . . . 84 LEU CD1 . 16118 1 804 . 1 1 84 84 LEU CD2 C 13 21.5 0.2 . 2 . . . . 84 LEU CD2 . 16118 1 805 . 1 1 84 84 LEU CG C 13 25.9 0.2 . 1 . . . . 84 LEU CG . 16118 1 806 . 1 1 84 84 LEU N N 15 116.7 0.2 . 1 . . . . 84 LEU N . 16118 1 807 . 1 1 85 85 GLN H H 1 7.13 0.02 . 1 . . . . 85 GLN H . 16118 1 808 . 1 1 85 85 GLN HA H 1 4.14 0.02 . 1 . . . . 85 GLN HA . 16118 1 809 . 1 1 85 85 GLN HB2 H 1 2.13 0.02 . 2 . . . . 85 GLN HB2 . 16118 1 810 . 1 1 85 85 GLN HB3 H 1 2.07 0.02 . 2 . . . . 85 GLN HB3 . 16118 1 811 . 1 1 85 85 GLN HE21 H 1 7.56 0.02 . 2 . . . . 85 GLN HE21 . 16118 1 812 . 1 1 85 85 GLN HE22 H 1 6.93 0.02 . 2 . . . . 85 GLN HE22 . 16118 1 813 . 1 1 85 85 GLN HG2 H 1 2.55 0.02 . 2 . . . . 85 GLN HG2 . 16118 1 814 . 1 1 85 85 GLN HG3 H 1 2.42 0.02 . 2 . . . . 85 GLN HG3 . 16118 1 815 . 1 1 85 85 GLN C C 13 176.3 0.2 . 1 . . . . 85 GLN C . 16118 1 816 . 1 1 85 85 GLN CA C 13 57.9 0.2 . 1 . . . . 85 GLN CA . 16118 1 817 . 1 1 85 85 GLN CB C 13 28.9 0.2 . 1 . . . . 85 GLN CB . 16118 1 818 . 1 1 85 85 GLN CG C 13 33.8 0.2 . 1 . . . . 85 GLN CG . 16118 1 819 . 1 1 85 85 GLN N N 15 115.4 0.2 . 1 . . . . 85 GLN N . 16118 1 820 . 1 1 85 85 GLN NE2 N 15 112.2 0.02 . 1 . . . . 85 GLN NE2 . 16118 1 821 . 1 1 86 86 ASN H H 1 7.63 0.02 . 1 . . . . 86 ASN H . 16118 1 822 . 1 1 86 86 ASN HA H 1 5.02 0.02 . 1 . . . . 86 ASN HA . 16118 1 823 . 1 1 86 86 ASN HB2 H 1 3.02 0.02 . 2 . . . . 86 ASN HB2 . 16118 1 824 . 1 1 86 86 ASN HB3 H 1 2.61 0.02 . 2 . . . . 86 ASN HB3 . 16118 1 825 . 1 1 86 86 ASN HD21 H 1 7.48 0.02 . 2 . . . . 86 ASN HD21 . 16118 1 826 . 1 1 86 86 ASN HD22 H 1 7.06 0.02 . 2 . . . . 86 ASN HD22 . 16118 1 827 . 1 1 86 86 ASN C C 13 174.1 0.2 . 1 . . . . 86 ASN C . 16118 1 828 . 1 1 86 86 ASN CA C 13 52.8 0.2 . 1 . . . . 86 ASN CA . 16118 1 829 . 1 1 86 86 ASN CB C 13 40.4 0.2 . 1 . . . . 86 ASN CB . 16118 1 830 . 1 1 86 86 ASN N N 15 114.0 0.2 . 1 . . . . 86 ASN N . 16118 1 831 . 1 1 86 86 ASN ND2 N 15 114.2 0.2 . 1 . . . . 86 ASN ND2 . 16118 1 832 . 1 1 87 87 ILE H H 1 7.30 0.02 . 1 . . . . 87 ILE H . 16118 1 833 . 1 1 87 87 ILE HA H 1 4.32 0.02 . 1 . . . . 87 ILE HA . 16118 1 834 . 1 1 87 87 ILE HB H 1 1.84 0.02 . 1 . . . . 87 ILE HB . 16118 1 835 . 1 1 87 87 ILE HD11 H 1 0.82 0.02 . 1 . . . . 87 ILE MD . 16118 1 836 . 1 1 87 87 ILE HD12 H 1 0.82 0.02 . 1 . . . . 87 ILE MD . 16118 1 837 . 1 1 87 87 ILE HD13 H 1 0.82 0.02 . 1 . . . . 87 ILE MD . 16118 1 838 . 1 1 87 87 ILE HG12 H 1 1.58 0.02 . 2 . . . . 87 ILE HG12 . 16118 1 839 . 1 1 87 87 ILE HG13 H 1 1.26 0.02 . 2 . . . . 87 ILE HG13 . 16118 1 840 . 1 1 87 87 ILE HG21 H 1 1.06 0.02 . 1 . . . . 87 ILE MG . 16118 1 841 . 1 1 87 87 ILE HG22 H 1 1.06 0.02 . 1 . . . . 87 ILE MG . 16118 1 842 . 1 1 87 87 ILE HG23 H 1 1.06 0.02 . 1 . . . . 87 ILE MG . 16118 1 843 . 1 1 87 87 ILE C C 13 174.5 0.2 . 1 . . . . 87 ILE C . 16118 1 844 . 1 1 87 87 ILE CA C 13 60.4 0.2 . 1 . . . . 87 ILE CA . 16118 1 845 . 1 1 87 87 ILE CB C 13 40.6 0.2 . 1 . . . . 87 ILE CB . 16118 1 846 . 1 1 87 87 ILE CD1 C 13 14.2 0.2 . 1 . . . . 87 ILE CD1 . 16118 1 847 . 1 1 87 87 ILE CG1 C 13 27.6 0.2 . 1 . . . . 87 ILE CG1 . 16118 1 848 . 1 1 87 87 ILE CG2 C 13 18.8 0.2 . 1 . . . . 87 ILE CG2 . 16118 1 849 . 1 1 87 87 ILE N N 15 119.3 0.2 . 1 . . . . 87 ILE N . 16118 1 850 . 1 1 88 88 HIS H H 1 9.14 0.02 . 1 . . . . 88 HIS H . 16118 1 851 . 1 1 88 88 HIS HA H 1 4.68 0.02 . 1 . . . . 88 HIS HA . 16118 1 852 . 1 1 88 88 HIS HB2 H 1 3.20 0.02 . 2 . . . . 88 HIS HB2 . 16118 1 853 . 1 1 88 88 HIS HB3 H 1 3.20 0.02 . 2 . . . . 88 HIS HB3 . 16118 1 854 . 1 1 88 88 HIS HD2 H 1 7.04 0.02 . 1 . . . . 88 HIS HD2 . 16118 1 855 . 1 1 88 88 HIS CA C 13 57.3 0.2 . 1 . . . . 88 HIS CA . 16118 1 856 . 1 1 88 88 HIS CB C 13 30.2 0.2 . 1 . . . . 88 HIS CB . 16118 1 857 . 1 1 88 88 HIS CD2 C 13 118.9 0. . 1 . . . . 88 HIS CD2 . 16118 1 858 . 1 1 88 88 HIS N N 15 125.0 0.2 . 1 . . . . 88 HIS N . 16118 1 859 . 1 1 89 89 ALA H H 1 7.60 0.02 . 1 . . . . 89 ALA H . 16118 1 860 . 1 1 89 89 ALA HA H 1 4.62 0.02 . 1 . . . . 89 ALA HA . 16118 1 861 . 1 1 89 89 ALA HB1 H 1 1.36 0.02 . 1 . . . . 89 ALA MB . 16118 1 862 . 1 1 89 89 ALA HB2 H 1 1.36 0.02 . 1 . . . . 89 ALA MB . 16118 1 863 . 1 1 89 89 ALA HB3 H 1 1.36 0.02 . 1 . . . . 89 ALA MB . 16118 1 864 . 1 1 89 89 ALA C C 13 174.3 0.2 . 1 . . . . 89 ALA C . 16118 1 865 . 1 1 89 89 ALA CA C 13 52.3 0.2 . 1 . . . . 89 ALA CA . 16118 1 866 . 1 1 89 89 ALA CB C 13 21.3 0.2 . 1 . . . . 89 ALA CB . 16118 1 867 . 1 1 89 89 ALA N N 15 120.1 0.2 . 1 . . . . 89 ALA N . 16118 1 868 . 1 1 90 90 PHE H H 1 8.83 0.02 . 1 . . . . 90 PHE H . 16118 1 869 . 1 1 90 90 PHE HA H 1 5.22 0.02 . 1 . . . . 90 PHE HA . 16118 1 870 . 1 1 90 90 PHE HB2 H 1 3.22 0.02 . 2 . . . . 90 PHE HB2 . 16118 1 871 . 1 1 90 90 PHE HB3 H 1 2.66 0.02 . 2 . . . . 90 PHE HB3 . 16118 1 872 . 1 1 90 90 PHE HD1 H 1 7.13 0.02 . 3 . . . . 90 PHE HD1 . 16118 1 873 . 1 1 90 90 PHE HD2 H 1 7.13 0.02 . 3 . . . . 90 PHE HD2 . 16118 1 874 . 1 1 90 90 PHE HE1 H 1 6.89 0.02 . 3 . . . . 90 PHE HE1 . 16118 1 875 . 1 1 90 90 PHE HE2 H 1 6.89 0.02 . 3 . . . . 90 PHE HE2 . 16118 1 876 . 1 1 90 90 PHE HZ H 1 6.57 0.02 . 1 . . . . 90 PHE HZ . 16118 1 877 . 1 1 90 90 PHE C C 13 173.7 0.2 . 1 . . . . 90 PHE C . 16118 1 878 . 1 1 90 90 PHE CA C 13 57.2 0.2 . 1 . . . . 90 PHE CA . 16118 1 879 . 1 1 90 90 PHE CB C 13 42.0 0.2 . 1 . . . . 90 PHE CB . 16118 1 880 . 1 1 90 90 PHE CD1 C 13 131.9 0.2 . 3 . . . . 90 PHE CD1 . 16118 1 881 . 1 1 90 90 PHE CD2 C 13 131.9 0.2 . 3 . . . . 90 PHE CD2 . 16118 1 882 . 1 1 90 90 PHE CE1 C 13 130.2 0.2 . 3 . . . . 90 PHE CE1 . 16118 1 883 . 1 1 90 90 PHE CE2 C 13 130.2 0.2 . 3 . . . . 90 PHE CE2 . 16118 1 884 . 1 1 90 90 PHE CZ C 13 128.1 0.2 . 1 . . . . 90 PHE CZ . 16118 1 885 . 1 1 90 90 PHE N N 15 126.1 0.02 . 1 . . . . 90 PHE N . 16118 1 886 . 1 1 91 91 SER H H 1 8.32 0.02 . 1 . . . . 91 SER H . 16118 1 887 . 1 1 91 91 SER HA H 1 4.73 0.02 . 1 . . . . 91 SER HA . 16118 1 888 . 1 1 91 91 SER HB2 H 1 3.92 0.02 . 2 . . . . 91 SER HB2 . 16118 1 889 . 1 1 91 91 SER HB3 H 1 3.87 0.02 . 2 . . . . 91 SER HB3 . 16118 1 890 . 1 1 91 91 SER HG H 1 1.95 0.02 . 1 . . . . 91 SER HG . 16118 1 891 . 1 1 91 91 SER C C 13 172.6 0.2 . 1 . . . . 91 SER C . 16118 1 892 . 1 1 91 91 SER CA C 13 56.5 0.2 . 1 . . . . 91 SER CA . 16118 1 893 . 1 1 91 91 SER CB C 13 64.1 0.2 . 1 . . . . 91 SER CB . 16118 1 894 . 1 1 91 91 SER N N 15 123.1 0.2 . 1 . . . . 91 SER N . 16118 1 895 . 1 1 92 92 MET H H 1 8.66 0.02 . 1 . . . . 92 MET H . 16118 1 896 . 1 1 92 92 MET HA H 1 5.49 0.02 . 1 . . . . 92 MET HA . 16118 1 897 . 1 1 92 92 MET HB2 H 1 1.66 0.02 . 2 . . . . 92 MET HB2 . 16118 1 898 . 1 1 92 92 MET HB3 H 1 1.47 0.02 . 2 . . . . 92 MET HB3 . 16118 1 899 . 1 1 92 92 MET HG2 H 1 2.13 0.02 . 2 . . . . 92 MET HG2 . 16118 1 900 . 1 1 92 92 MET HG3 H 1 1.97 0.02 . 2 . . . . 92 MET HG3 . 16118 1 901 . 1 1 92 92 MET C C 13 174.3 0.2 . 1 . . . . 92 MET C . 16118 1 902 . 1 1 92 92 MET CA C 13 53.6 0.2 . 1 . . . . 92 MET CA . 16118 1 903 . 1 1 92 92 MET CB C 13 37.5 0.2 . 1 . . . . 92 MET CB . 16118 1 904 . 1 1 92 92 MET CE C 13 19.0 0.2 . 1 . . . . 92 MET CE . 16118 1 905 . 1 1 92 92 MET CG C 13 31.2 0.2 . 1 . . . . 92 MET CG . 16118 1 906 . 1 1 92 92 MET N N 15 119.6 0.2 . 1 . . . . 92 MET N . 16118 1 907 . 1 1 93 93 LYS H H 1 8.19 0.02 . 1 . . . . 93 LYS H . 16118 1 908 . 1 1 93 93 LYS HA H 1 4.45 0.02 . 1 . . . . 93 LYS HA . 16118 1 909 . 1 1 93 93 LYS HB2 H 1 1.72 0.02 . 2 . . . . 93 LYS HB2 . 16118 1 910 . 1 1 93 93 LYS HB3 H 1 1.67 0.02 . 2 . . . . 93 LYS HB3 . 16118 1 911 . 1 1 93 93 LYS HD2 H 1 1.86 0.02 . 2 . . . . 93 LYS HD2 . 16118 1 912 . 1 1 93 93 LYS HD3 H 1 1.72 0.02 . 2 . . . . 93 LYS HD3 . 16118 1 913 . 1 1 93 93 LYS HE2 H 1 3.02 0.02 . 2 . . . . 93 LYS HE2 . 16118 1 914 . 1 1 93 93 LYS HE3 H 1 3.02 0.02 . 2 . . . . 93 LYS HE3 . 16118 1 915 . 1 1 93 93 LYS HG2 H 1 1.54 0.02 . 2 . . . . 93 LYS HG2 . 16118 1 916 . 1 1 93 93 LYS HG3 H 1 1.48 0.02 . 2 . . . . 93 LYS HG3 . 16118 1 917 . 1 1 93 93 LYS C C 13 174.4 0.2 . 1 . . . . 93 LYS C . 16118 1 918 . 1 1 93 93 LYS CA C 13 55.4 0.2 . 1 . . . . 93 LYS CA . 16118 1 919 . 1 1 93 93 LYS CB C 13 34.7 0.2 . 1 . . . . 93 LYS CB . 16118 1 920 . 1 1 93 93 LYS CD C 13 29.2 0.2 . 1 . . . . 93 LYS CD . 16118 1 921 . 1 1 93 93 LYS CE C 13 42.5 0.2 . 1 . . . . 93 LYS CE . 16118 1 922 . 1 1 93 93 LYS CG C 13 24.8 0.2 . 1 . . . . 93 LYS CG . 16118 1 923 . 1 1 93 93 LYS N N 15 122.7 0.2 . 1 . . . . 93 LYS N . 16118 1 924 . 1 1 94 94 CYS H H 1 8.34 0.02 . 1 . . . . 94 CYS H . 16118 1 925 . 1 1 94 94 CYS HA H 1 4.96 0.02 . 1 . . . . 94 CYS HA . 16118 1 926 . 1 1 94 94 CYS HB2 H 1 2.16 0.02 . 2 . . . . 94 CYS HB2 . 16118 1 927 . 1 1 94 94 CYS HB3 H 1 2.16 0.02 . 2 . . . . 94 CYS HB3 . 16118 1 928 . 1 1 94 94 CYS C C 13 173.6 0.2 . 1 . . . . 94 CYS C . 16118 1 929 . 1 1 94 94 CYS CA C 13 56.6 0.2 . 1 . . . . 94 CYS CA . 16118 1 930 . 1 1 94 94 CYS CB C 13 29.8 0.2 . 1 . . . . 94 CYS CB . 16118 1 931 . 1 1 94 94 CYS N N 15 120.3 0.2 . 1 . . . . 94 CYS N . 16118 1 932 . 1 1 95 95 HIS H H 1 9.04 0.02 . 1 . . . . 95 HIS H . 16118 1 933 . 1 1 95 95 HIS HA H 1 5.44 0.02 . 1 . . . . 95 HIS HA . 16118 1 934 . 1 1 95 95 HIS HB2 H 1 3.55 0.02 . 2 . . . . 95 HIS HB2 . 16118 1 935 . 1 1 95 95 HIS HB3 H 1 2.84 0.02 . 2 . . . . 95 HIS HB3 . 16118 1 936 . 1 1 95 95 HIS C C 13 175.7 0.2 . 1 . . . . 95 HIS C . 16118 1 937 . 1 1 95 95 HIS CA C 13 53.6 0.2 . 1 . . . . 95 HIS CA . 16118 1 938 . 1 1 95 95 HIS CB C 13 35.3 0.2 . 1 . . . . 95 HIS CB . 16118 1 939 . 1 1 95 95 HIS N N 15 122.0 0.2 . 1 . . . . 95 HIS N . 16118 1 940 . 1 1 96 96 THR H H 1 8.91 0.02 . 1 . . . . 96 THR H . 16118 1 941 . 1 1 96 96 THR HA H 1 5.15 0.02 . 1 . . . . 96 THR HA . 16118 1 942 . 1 1 96 96 THR HG21 H 1 1.40 0.02 . 1 . . . . 96 THR MG . 16118 1 943 . 1 1 96 96 THR HG22 H 1 1.40 0.02 . 1 . . . . 96 THR MG . 16118 1 944 . 1 1 96 96 THR HG23 H 1 1.40 0.02 . 1 . . . . 96 THR MG . 16118 1 945 . 1 1 96 96 THR CA C 13 60.1 0.2 . 1 . . . . 96 THR CA . 16118 1 946 . 1 1 96 96 THR CB C 13 67.6 0.2 . 1 . . . . 96 THR CB . 16118 1 947 . 1 1 96 96 THR CG2 C 13 22.2 0.2 . 1 . . . . 96 THR CG2 . 16118 1 948 . 1 1 96 96 THR N N 15 113.6 0.2 . 1 . . . . 96 THR N . 16118 1 949 . 1 1 97 97 PRO HA H 1 4.06 0.02 . 1 . . . . 97 PRO HA . 16118 1 950 . 1 1 97 97 PRO HB2 H 1 2.48 0.02 . 2 . . . . 97 PRO HB2 . 16118 1 951 . 1 1 97 97 PRO HB3 H 1 2.03 0.02 . 2 . . . . 97 PRO HB3 . 16118 1 952 . 1 1 97 97 PRO HD2 H 1 4.04 0.02 . 2 . . . . 97 PRO HD2 . 16118 1 953 . 1 1 97 97 PRO HD3 H 1 3.40 0.02 . 2 . . . . 97 PRO HD3 . 16118 1 954 . 1 1 97 97 PRO HG2 H 1 2.27 0.02 . 2 . . . . 97 PRO HG2 . 16118 1 955 . 1 1 97 97 PRO HG3 H 1 2.06 0.02 . 2 . . . . 97 PRO HG3 . 16118 1 956 . 1 1 97 97 PRO C C 13 178.6 0.2 . 1 . . . . 97 PRO C . 16118 1 957 . 1 1 97 97 PRO CA C 13 66.6 0.2 . 1 . . . . 97 PRO CA . 16118 1 958 . 1 1 97 97 PRO CB C 13 31.6 0.2 . 1 . . . . 97 PRO CB . 16118 1 959 . 1 1 97 97 PRO CD C 13 49.8 0.2 . 1 . . . . 97 PRO CD . 16118 1 960 . 1 1 97 97 PRO CG C 13 27.9 0.2 . 1 . . . . 97 PRO CG . 16118 1 961 . 1 1 98 98 LEU H H 1 8.41 0.02 . 1 . . . . 98 LEU H . 16118 1 962 . 1 1 98 98 LEU HA H 1 4.23 0.02 . 1 . . . . 98 LEU HA . 16118 1 963 . 1 1 98 98 LEU HB2 H 1 1.76 0.02 . 2 . . . . 98 LEU HB2 . 16118 1 964 . 1 1 98 98 LEU HB3 H 1 1.63 0.03 . 2 . . . . 98 LEU HB3 . 16118 1 965 . 1 1 98 98 LEU HD11 H 1 1.00 0.02 . 2 . . . . 98 LEU MD1 . 16118 1 966 . 1 1 98 98 LEU HD12 H 1 1.00 0.02 . 2 . . . . 98 LEU MD1 . 16118 1 967 . 1 1 98 98 LEU HD13 H 1 1.00 0.02 . 2 . . . . 98 LEU MD1 . 16118 1 968 . 1 1 98 98 LEU HD21 H 1 1.00 0.02 . 2 . . . . 98 LEU MD2 . 16118 1 969 . 1 1 98 98 LEU HD22 H 1 1.00 0.02 . 2 . . . . 98 LEU MD2 . 16118 1 970 . 1 1 98 98 LEU HD23 H 1 1.00 0.02 . 2 . . . . 98 LEU MD2 . 16118 1 971 . 1 1 98 98 LEU C C 13 179.8 0.2 . 1 . . . . 98 LEU C . 16118 1 972 . 1 1 98 98 LEU CA C 13 58.2 0.2 . 1 . . . . 98 LEU CA . 16118 1 973 . 1 1 98 98 LEU CB C 13 42.0 0.2 . 1 . . . . 98 LEU CB . 16118 1 974 . 1 1 98 98 LEU CD1 C 13 24.4 0.2 . 2 . . . . 98 LEU CD1 . 16118 1 975 . 1 1 98 98 LEU CD2 C 13 24.4 0.2 . 2 . . . . 98 LEU CD2 . 16118 1 976 . 1 1 98 98 LEU N N 15 118.3 0.2 . 1 . . . . 98 LEU N . 16118 1 977 . 1 1 99 99 GLU H H 1 7.66 0.02 . 1 . . . . 99 GLU H . 16118 1 978 . 1 1 99 99 GLU HA H 1 3.90 0.02 . 1 . . . . 99 GLU HA . 16118 1 979 . 1 1 99 99 GLU HB2 H 1 2.64 0.02 . 2 . . . . 99 GLU HB2 . 16118 1 980 . 1 1 99 99 GLU HB3 H 1 2.08 0.02 . 2 . . . . 99 GLU HB3 . 16118 1 981 . 1 1 99 99 GLU HG2 H 1 2.53 0.02 . 2 . . . . 99 GLU HG2 . 16118 1 982 . 1 1 99 99 GLU HG3 H 1 2.43 0.02 . 2 . . . . 99 GLU HG3 . 16118 1 983 . 1 1 99 99 GLU C C 13 180.2 0.2 . 1 . . . . 99 GLU C . 16118 1 984 . 1 1 99 99 GLU CA C 13 58.4 0.2 . 1 . . . . 99 GLU CA . 16118 1 985 . 1 1 99 99 GLU CB C 13 30.4 0.2 . 1 . . . . 99 GLU CB . 16118 1 986 . 1 1 99 99 GLU CG C 13 36.1 0.2 . 1 . . . . 99 GLU CG . 16118 1 987 . 1 1 99 99 GLU N N 15 118.1 0.2 . 1 . . . . 99 GLU N . 16118 1 988 . 1 1 100 100 TYR H H 1 8.77 0.02 . 1 . . . . 100 TYR H . 16118 1 989 . 1 1 100 100 TYR HA H 1 3.86 0.02 . 1 . . . . 100 TYR HA . 16118 1 990 . 1 1 100 100 TYR HB2 H 1 2.82 0.02 . 2 . . . . 100 TYR HB2 . 16118 1 991 . 1 1 100 100 TYR HB3 H 1 3.01 0.02 . 2 . . . . 100 TYR HB3 . 16118 1 992 . 1 1 100 100 TYR HD1 H 1 6.77 0.02 . 3 . . . . 100 TYR HD1 . 16118 1 993 . 1 1 100 100 TYR HD2 H 1 6.77 0.02 . 3 . . . . 100 TYR HD2 . 16118 1 994 . 1 1 100 100 TYR HE1 H 1 6.33 0.02 . 3 . . . . 100 TYR HE1 . 16118 1 995 . 1 1 100 100 TYR HE2 H 1 6.33 0.02 . 3 . . . . 100 TYR HE2 . 16118 1 996 . 1 1 100 100 TYR C C 13 176.8 0.2 . 1 . . . . 100 TYR C . 16118 1 997 . 1 1 100 100 TYR CA C 13 60.8 0.2 . 1 . . . . 100 TYR CA . 16118 1 998 . 1 1 100 100 TYR CB C 13 39.2 0.2 . 1 . . . . 100 TYR CB . 16118 1 999 . 1 1 100 100 TYR CD1 C 13 132.9 0.2 . 3 . . . . 100 TYR CD1 . 16118 1 1000 . 1 1 100 100 TYR CD2 C 13 132.9 0.2 . 3 . . . . 100 TYR CD2 . 16118 1 1001 . 1 1 100 100 TYR CE1 C 13 117.0 0.2 . 3 . . . . 100 TYR CE1 . 16118 1 1002 . 1 1 100 100 TYR CE2 C 13 117.0 0.2 . 3 . . . . 100 TYR CE2 . 16118 1 1003 . 1 1 100 100 TYR N N 15 120.1 0.2 . 1 . . . . 100 TYR N . 16118 1 1004 . 1 1 101 101 ASP H H 1 8.10 0.02 . 1 . . . . 101 ASP H . 16118 1 1005 . 1 1 101 101 ASP HA H 1 4.18 0.02 . 1 . . . . 101 ASP HA . 16118 1 1006 . 1 1 101 101 ASP HB2 H 1 2.77 0.02 . 2 . . . . 101 ASP HB2 . 16118 1 1007 . 1 1 101 101 ASP HB3 H 1 2.64 0.02 . 2 . . . . 101 ASP HB3 . 16118 1 1008 . 1 1 101 101 ASP C C 13 178.7 0.2 . 1 . . . . 101 ASP C . 16118 1 1009 . 1 1 101 101 ASP CA C 13 57.3 0.2 . 1 . . . . 101 ASP CA . 16118 1 1010 . 1 1 101 101 ASP CB C 13 40.8 0.2 . 1 . . . . 101 ASP CB . 16118 1 1011 . 1 1 101 101 ASP N N 15 118.4 0.2 . 1 . . . . 101 ASP N . 16118 1 1012 . 1 1 102 102 LYS H H 1 7.48 0.02 . 1 . . . . 102 LYS H . 16118 1 1013 . 1 1 102 102 LYS HA H 1 4.07 0.02 . 1 . . . . 102 LYS HA . 16118 1 1014 . 1 1 102 102 LYS HB2 H 1 1.87 0.02 . 2 . . . . 102 LYS HB2 . 16118 1 1015 . 1 1 102 102 LYS HB3 H 1 1.87 0.02 . 2 . . . . 102 LYS HB3 . 16118 1 1016 . 1 1 102 102 LYS HD2 H 1 1.67 0.02 . 2 . . . . 102 LYS HD2 . 16118 1 1017 . 1 1 102 102 LYS HD3 H 1 1.67 0.02 . 2 . . . . 102 LYS HD3 . 16118 1 1018 . 1 1 102 102 LYS HE2 H 1 2.98 0.02 . 2 . . . . 102 LYS HE2 . 16118 1 1019 . 1 1 102 102 LYS HE3 H 1 2.98 0.02 . 2 . . . . 102 LYS HE3 . 16118 1 1020 . 1 1 102 102 LYS CA C 13 58.3 0.2 . 1 . . . . 102 LYS CA . 16118 1 1021 . 1 1 102 102 LYS CB C 13 32.3 0.2 . 1 . . . . 102 LYS CB . 16118 1 1022 . 1 1 102 102 LYS CD C 13 29.0 0.2 . 1 . . . . 102 LYS CD . 16118 1 1023 . 1 1 102 102 LYS CG C 13 24.8 0.2 . 1 . . . . 102 LYS CG . 16118 1 1024 . 1 1 102 102 LYS N N 15 117.5 0.2 . 1 . . . . 102 LYS N . 16118 1 1025 . 1 1 103 103 LEU H H 1 7.58 0.02 . 1 . . . . 103 LEU H . 16118 1 1026 . 1 1 103 103 LEU HA H 1 4.05 0.02 . 1 . . . . 103 LEU HA . 16118 1 1027 . 1 1 103 103 LEU HB2 H 1 1.55 0.02 . 2 . . . . 103 LEU HB2 . 16118 1 1028 . 1 1 103 103 LEU HB3 H 1 1.39 0.02 . 2 . . . . 103 LEU HB3 . 16118 1 1029 . 1 1 103 103 LEU HD11 H 1 0.73 0.02 . 2 . . . . 103 LEU MD1 . 16118 1 1030 . 1 1 103 103 LEU HD12 H 1 0.73 0.02 . 2 . . . . 103 LEU MD1 . 16118 1 1031 . 1 1 103 103 LEU HD13 H 1 0.73 0.02 . 2 . . . . 103 LEU MD1 . 16118 1 1032 . 1 1 103 103 LEU HD21 H 1 0.73 0.02 . 2 . . . . 103 LEU MD2 . 16118 1 1033 . 1 1 103 103 LEU HD22 H 1 0.73 0.02 . 2 . . . . 103 LEU MD2 . 16118 1 1034 . 1 1 103 103 LEU HD23 H 1 0.73 0.02 . 2 . . . . 103 LEU MD2 . 16118 1 1035 . 1 1 103 103 LEU HG H 1 0.59 0.02 . 1 . . . . 103 LEU HG . 16118 1 1036 . 1 1 103 103 LEU C C 13 178.7 0.2 . 1 . . . . 103 LEU C . 16118 1 1037 . 1 1 103 103 LEU CA C 13 56.8 0.2 . 1 . . . . 103 LEU CA . 16118 1 1038 . 1 1 103 103 LEU CB C 13 42.0 0.2 . 1 . . . . 103 LEU CB . 16118 1 1039 . 1 1 103 103 LEU CD1 C 13 23.4 0.2 . 2 . . . . 103 LEU CD1 . 16118 1 1040 . 1 1 103 103 LEU CD2 C 13 23.4 0.2 . 2 . . . . 103 LEU CD2 . 16118 1 1041 . 1 1 103 103 LEU CG C 13 24.7 0.2 . 1 . . . . 103 LEU CG . 16118 1 1042 . 1 1 103 103 LEU N N 15 120.1 0.2 . 1 . . . . 103 LEU N . 16118 1 1043 . 1 1 104 104 LYS H H 1 7.73 0.02 . 1 . . . . 104 LYS H . 16118 1 1044 . 1 1 104 104 LYS HA H 1 3.96 0.02 . 1 . . . . 104 LYS HA . 16118 1 1045 . 1 1 104 104 LYS HB2 H 1 1.51 0.02 . 2 . . . . 104 LYS HB2 . 16118 1 1046 . 1 1 104 104 LYS HB3 H 1 1.51 0.02 . 2 . . . . 104 LYS HB3 . 16118 1 1047 . 1 1 104 104 LYS HD2 H 1 1.34 0.02 . 2 . . . . 104 LYS HD2 . 16118 1 1048 . 1 1 104 104 LYS HD3 H 1 1.34 0.02 . 2 . . . . 104 LYS HD3 . 16118 1 1049 . 1 1 104 104 LYS HE2 H 1 2.74 0.02 . 2 . . . . 104 LYS HE2 . 16118 1 1050 . 1 1 104 104 LYS HE3 H 1 2.65 0.02 . 2 . . . . 104 LYS HE3 . 16118 1 1051 . 1 1 104 104 LYS HG2 H 1 1.00 0.02 . 2 . . . . 104 LYS HG2 . 16118 1 1052 . 1 1 104 104 LYS HG3 H 1 1.00 0.02 . 2 . . . . 104 LYS HG3 . 16118 1 1053 . 1 1 104 104 LYS CA C 13 56.7 0.2 . 1 . . . . 104 LYS CA . 16118 1 1054 . 1 1 104 104 LYS CB C 13 31.7 0.2 . 1 . . . . 104 LYS CB . 16118 1 1055 . 1 1 104 104 LYS CD C 13 28.4 0.2 . 1 . . . . 104 LYS CD . 16118 1 1056 . 1 1 104 104 LYS CE C 13 41.8 0.2 . 1 . . . . 104 LYS CE . 16118 1 1057 . 1 1 104 104 LYS CG C 13 23.9 0.2 . 1 . . . . 104 LYS CG . 16118 1 1058 . 1 1 104 104 LYS N N 15 118.5 0.2 . 1 . . . . 104 LYS N . 16118 1 1059 . 1 1 105 105 SER H H 1 7.79 0.02 . 1 . . . . 105 SER H . 16118 1 1060 . 1 1 105 105 SER HA H 1 4.33 0.02 . 1 . . . . 105 SER HA . 16118 1 1061 . 1 1 105 105 SER HB2 H 1 3.89 0.02 . 2 . . . . 105 SER HB2 . 16118 1 1062 . 1 1 105 105 SER HB3 H 1 3.89 0.02 . 2 . . . . 105 SER HB3 . 16118 1 1063 . 1 1 105 105 SER C C 13 174.7 0.2 . 1 . . . . 105 SER C . 16118 1 1064 . 1 1 105 105 SER CA C 13 58.9 0.2 . 1 . . . . 105 SER CA . 16118 1 1065 . 1 1 105 105 SER CB C 13 63.5 0.2 . 1 . . . . 105 SER CB . 16118 1 1066 . 1 1 105 105 SER N N 15 114.9 0.2 . 1 . . . . 105 SER N . 16118 1 1067 . 1 1 106 106 LYS H H 1 8.00 0.02 . 1 . . . . 106 LYS H . 16118 1 1068 . 1 1 106 106 LYS HA H 1 4.30 0.02 . 1 . . . . 106 LYS HA . 16118 1 1069 . 1 1 106 106 LYS HB2 H 1 1.81 0.02 . 2 . . . . 106 LYS HB2 . 16118 1 1070 . 1 1 106 106 LYS HB3 H 1 1.89 0.02 . 2 . . . . 106 LYS HB3 . 16118 1 1071 . 1 1 106 106 LYS HD2 H 1 1.67 0.02 . 2 . . . . 106 LYS HD2 . 16118 1 1072 . 1 1 106 106 LYS HD3 H 1 1.67 0.02 . 2 . . . . 106 LYS HD3 . 16118 1 1073 . 1 1 106 106 LYS HE2 H 1 2.98 0.02 . 2 . . . . 106 LYS HE2 . 16118 1 1074 . 1 1 106 106 LYS HE3 H 1 2.98 0.02 . 2 . . . . 106 LYS HE3 . 16118 1 1075 . 1 1 106 106 LYS HG2 H 1 1.47 0.02 . 2 . . . . 106 LYS HG2 . 16118 1 1076 . 1 1 106 106 LYS HG3 H 1 1.47 0.02 . 2 . . . . 106 LYS HG3 . 16118 1 1077 . 1 1 106 106 LYS C C 13 177.0 0.2 . 1 . . . . 106 LYS C . 16118 1 1078 . 1 1 106 106 LYS CA C 13 56.6 0.2 . 1 . . . . 106 LYS CA . 16118 1 1079 . 1 1 106 106 LYS CB C 13 32.8 0.2 . 1 . . . . 106 LYS CB . 16118 1 1080 . 1 1 106 106 LYS CG C 13 24.2 0.2 . 1 . . . . 106 LYS CG . 16118 1 1081 . 1 1 106 106 LYS N N 15 122.4 0.2 . 1 . . . . 106 LYS N . 16118 1 1082 . 1 1 107 107 GLY H H 1 8.31 0.02 . 1 . . . . 107 GLY H . 16118 1 1083 . 1 1 107 107 GLY HA2 H 1 3.99 0.02 . 2 . . . . 107 GLY HA2 . 16118 1 1084 . 1 1 107 107 GLY HA3 H 1 3.99 0.02 . 2 . . . . 107 GLY HA3 . 16118 1 1085 . 1 1 107 107 GLY CA C 13 45.3 0.2 . 1 . . . . 107 GLY CA . 16118 1 1086 . 1 1 107 107 GLY N N 15 110.0 0.2 . 1 . . . . 107 GLY N . 16118 1 1087 . 1 1 108 108 SER H H 1 7.89 0.02 . 1 . . . . 108 SER H . 16118 1 1088 . 1 1 108 108 SER HA H 1 4.28 0.02 . 1 . . . . 108 SER HA . 16118 1 1089 . 1 1 108 108 SER HB2 H 1 3.85 0.02 . 2 . . . . 108 SER HB2 . 16118 1 1090 . 1 1 108 108 SER HB3 H 1 3.85 0.02 . 2 . . . . 108 SER HB3 . 16118 1 1091 . 1 1 108 108 SER CA C 13 59.9 0.2 . 1 . . . . 108 SER CA . 16118 1 1092 . 1 1 108 108 SER CB C 13 64.8 0.2 . 1 . . . . 108 SER CB . 16118 1 1093 . 1 1 108 108 SER N N 15 121.2 0.2 . 1 . . . . 108 SER N . 16118 1 stop_ save_