data_15172 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15172 _Entry.Title ; 1H, 13C and 15N chemical shift assignments for hypothetical protein TA0095 from Thermoplasma acidophilum ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-03-12 _Entry.Accession_date 2007-03-12 _Entry.Last_release_date 2007-09-27 _Entry.Original_release_date 2007-09-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 'M. Angeles' Jimenez . . . 15172 2 Esther Leon . . . 15172 3 Jorge Santoro . . . 15172 4 Manuel Rico . . . 15172 5 Adelinda Yee . . . 15172 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 . 'SCG,Structural Genomics Consortium Toronto' 'SCG,Structural Genomics Consortium Toronto' . 15172 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 15172 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 283 15172 '15N chemical shifts' 109 15172 '1H chemical shifts' 1463 15172 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-09-27 2007-03-12 original author . 15172 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15172 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17766377 _Citation.Full_citation . _Citation.Title ; Solution structure of the hypothetical protein TA0095 from Thermoplasma acidophilum: A novel superfamily with a 2-layer sandwich architecture ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 10 _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 2278 _Citation.Page_last 2286 _Citation.Year 2007 _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 Esther Leon . . . 15172 1 2 Adelinda Yee . . . 15172 1 3 A.R. Ortiz . . . 15172 1 4 Jorge Santoro . . . 15172 1 5 Manuel Rico . . . 15172 1 6 'M. Angeles' Jimenez . . . 15172 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'COG4004 orthologous group' 15172 1 NMR 15172 1 'structural genomics' 15172 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15172 _Assembly.ID 1 _Assembly.Name H6TA0095 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 H6TA0095 1 $H6TA0095 A . yes native no no . . . 15172 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_H6TA0095 _Entity.Sf_category entity _Entity.Sf_framecode H6TA0095 _Entity.Entry_ID 15172 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name H6TA0095 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGTSHHHHHHSSGRENLYFQ GHMREYPVKKGFPTDYDSIK RKISELGFDVKSEGDLIIAS IPGISRIEIKPDKRKILVNT GDYDSDADKLAVVRTYNDFI EKLTGYSAKERKKMMTKD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 118 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2JOI . "Nmr Solution Structure Of Hypothetical Protein Ta0095 From Thermoplasma Acidophilum" . . . . . 100.00 118 100.00 100.00 2.98e-79 . . . . 15172 1 2 no EMBL CAC11243 . "conserved hypothetical protein [Thermoplasma acidophilum]" . . . . . 81.36 96 100.00 100.00 2.43e-60 . . . . 15172 1 3 no REF WP_010900522 . "hypothetical protein [Thermoplasma acidophilum]" . . . . . 81.36 96 100.00 100.00 2.43e-60 . . . . 15172 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 . 15172 1 2 . GLY . 15172 1 3 . THR . 15172 1 4 . SER . 15172 1 5 . HIS . 15172 1 6 . HIS . 15172 1 7 . HIS . 15172 1 8 . HIS . 15172 1 9 . HIS . 15172 1 10 . HIS . 15172 1 11 . SER . 15172 1 12 . SER . 15172 1 13 . GLY . 15172 1 14 . ARG . 15172 1 15 . GLU . 15172 1 16 . ASN . 15172 1 17 . LEU . 15172 1 18 . TYR . 15172 1 19 . PHE . 15172 1 20 . GLN . 15172 1 21 . GLY . 15172 1 22 . HIS . 15172 1 23 . MET . 15172 1 24 . ARG . 15172 1 25 . GLU . 15172 1 26 . TYR . 15172 1 27 . PRO . 15172 1 28 . VAL . 15172 1 29 . LYS . 15172 1 30 . LYS . 15172 1 31 . GLY . 15172 1 32 . PHE . 15172 1 33 . PRO . 15172 1 34 . THR . 15172 1 35 . ASP . 15172 1 36 . TYR . 15172 1 37 . ASP . 15172 1 38 . SER . 15172 1 39 . ILE . 15172 1 40 . LYS . 15172 1 41 . ARG . 15172 1 42 . LYS . 15172 1 43 . ILE . 15172 1 44 . SER . 15172 1 45 . GLU . 15172 1 46 . LEU . 15172 1 47 . GLY . 15172 1 48 . PHE . 15172 1 49 . ASP . 15172 1 50 . VAL . 15172 1 51 . LYS . 15172 1 52 . SER . 15172 1 53 . GLU . 15172 1 54 . GLY . 15172 1 55 . ASP . 15172 1 56 . LEU . 15172 1 57 . ILE . 15172 1 58 . ILE . 15172 1 59 . ALA . 15172 1 60 . SER . 15172 1 61 . ILE . 15172 1 62 . PRO . 15172 1 63 . GLY . 15172 1 64 . ILE . 15172 1 65 . SER . 15172 1 66 . ARG . 15172 1 67 . ILE . 15172 1 68 . GLU . 15172 1 69 . ILE . 15172 1 70 . LYS . 15172 1 71 . PRO . 15172 1 72 . ASP . 15172 1 73 . LYS . 15172 1 74 . ARG . 15172 1 75 . LYS . 15172 1 76 . ILE . 15172 1 77 . LEU . 15172 1 78 . VAL . 15172 1 79 . ASN . 15172 1 80 . THR . 15172 1 81 . GLY . 15172 1 82 . ASP . 15172 1 83 . TYR . 15172 1 84 . ASP . 15172 1 85 . SER . 15172 1 86 . ASP . 15172 1 87 . ALA . 15172 1 88 . ASP . 15172 1 89 . LYS . 15172 1 90 . LEU . 15172 1 91 . ALA . 15172 1 92 . VAL . 15172 1 93 . VAL . 15172 1 94 . ARG . 15172 1 95 . THR . 15172 1 96 . TYR . 15172 1 97 . ASN . 15172 1 98 . ASP . 15172 1 99 . PHE . 15172 1 100 . ILE . 15172 1 101 . GLU . 15172 1 102 . LYS . 15172 1 103 . LEU . 15172 1 104 . THR . 15172 1 105 . GLY . 15172 1 106 . TYR . 15172 1 107 . SER . 15172 1 108 . ALA . 15172 1 109 . LYS . 15172 1 110 . GLU . 15172 1 111 . ARG . 15172 1 112 . LYS . 15172 1 113 . LYS . 15172 1 114 . MET . 15172 1 115 . MET . 15172 1 116 . THR . 15172 1 117 . LYS . 15172 1 118 . ASP . 15172 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 15172 1 . GLY 2 2 15172 1 . THR 3 3 15172 1 . SER 4 4 15172 1 . HIS 5 5 15172 1 . HIS 6 6 15172 1 . HIS 7 7 15172 1 . HIS 8 8 15172 1 . HIS 9 9 15172 1 . HIS 10 10 15172 1 . SER 11 11 15172 1 . SER 12 12 15172 1 . GLY 13 13 15172 1 . ARG 14 14 15172 1 . GLU 15 15 15172 1 . ASN 16 16 15172 1 . LEU 17 17 15172 1 . TYR 18 18 15172 1 . PHE 19 19 15172 1 . GLN 20 20 15172 1 . GLY 21 21 15172 1 . HIS 22 22 15172 1 . MET 23 23 15172 1 . ARG 24 24 15172 1 . GLU 25 25 15172 1 . TYR 26 26 15172 1 . PRO 27 27 15172 1 . VAL 28 28 15172 1 . LYS 29 29 15172 1 . LYS 30 30 15172 1 . GLY 31 31 15172 1 . PHE 32 32 15172 1 . PRO 33 33 15172 1 . THR 34 34 15172 1 . ASP 35 35 15172 1 . TYR 36 36 15172 1 . ASP 37 37 15172 1 . SER 38 38 15172 1 . ILE 39 39 15172 1 . LYS 40 40 15172 1 . ARG 41 41 15172 1 . LYS 42 42 15172 1 . ILE 43 43 15172 1 . SER 44 44 15172 1 . GLU 45 45 15172 1 . LEU 46 46 15172 1 . GLY 47 47 15172 1 . PHE 48 48 15172 1 . ASP 49 49 15172 1 . VAL 50 50 15172 1 . LYS 51 51 15172 1 . SER 52 52 15172 1 . GLU 53 53 15172 1 . GLY 54 54 15172 1 . ASP 55 55 15172 1 . LEU 56 56 15172 1 . ILE 57 57 15172 1 . ILE 58 58 15172 1 . ALA 59 59 15172 1 . SER 60 60 15172 1 . ILE 61 61 15172 1 . PRO 62 62 15172 1 . GLY 63 63 15172 1 . ILE 64 64 15172 1 . SER 65 65 15172 1 . ARG 66 66 15172 1 . ILE 67 67 15172 1 . GLU 68 68 15172 1 . ILE 69 69 15172 1 . LYS 70 70 15172 1 . PRO 71 71 15172 1 . ASP 72 72 15172 1 . LYS 73 73 15172 1 . ARG 74 74 15172 1 . LYS 75 75 15172 1 . ILE 76 76 15172 1 . LEU 77 77 15172 1 . VAL 78 78 15172 1 . ASN 79 79 15172 1 . THR 80 80 15172 1 . GLY 81 81 15172 1 . ASP 82 82 15172 1 . TYR 83 83 15172 1 . ASP 84 84 15172 1 . SER 85 85 15172 1 . ASP 86 86 15172 1 . ALA 87 87 15172 1 . ASP 88 88 15172 1 . LYS 89 89 15172 1 . LEU 90 90 15172 1 . ALA 91 91 15172 1 . VAL 92 92 15172 1 . VAL 93 93 15172 1 . ARG 94 94 15172 1 . THR 95 95 15172 1 . TYR 96 96 15172 1 . ASN 97 97 15172 1 . ASP 98 98 15172 1 . PHE 99 99 15172 1 . ILE 100 100 15172 1 . GLU 101 101 15172 1 . LYS 102 102 15172 1 . LEU 103 103 15172 1 . THR 104 104 15172 1 . GLY 105 105 15172 1 . TYR 106 106 15172 1 . SER 107 107 15172 1 . ALA 108 108 15172 1 . LYS 109 109 15172 1 . GLU 110 110 15172 1 . ARG 111 111 15172 1 . LYS 112 112 15172 1 . LYS 113 113 15172 1 . MET 114 114 15172 1 . MET 115 115 15172 1 . THR 116 116 15172 1 . LYS 117 117 15172 1 . ASP 118 118 15172 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 15172 _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 $H6TA0095 . 2303 organism . 'Thermoplasma acidophilum' 'Thermoplasma acidophilum' . . Archaea . Thermoplasma acidophilum . . . . . . . . . . . . . . . . . . . . . 15172 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 15172 _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 $H6TA0095 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-11b . . . . . . 15172 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15172 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 H6TA0095 '[U-13C; U-15N]' . . 1 $H6TA0095 . . 0.5 . . mM . . . . 15172 1 2 'sodium chloride' 'natural abundance' . . . . . . 450 . . mM . . . . 15172 1 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 15172 1 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 15172 1 5 'Zn chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 15172 1 6 DSS 'natural abundance' . . . . . . . 0.1 0.5 mM . . . . 15172 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15172 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 H6TA0095 '[U-100% 15N]' . . 1 $H6TA0095 . . 1 . . mM . . . . 15172 2 2 DSS 'natural abundance' . . . . . . . 0.1 0.5 mM . . . . 15172 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15172 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 H6TA0095 'natural abundance' . . 1 $H6TA0095 . . 1 . . mM . . . . 15172 3 2 DSS 'natural abundance' . . . . . . . 0.1 0.5 mM . . . . 15172 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 15172 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 H6TA0095 'natural abundance' . . 1 $H6TA0095 . . 1 . . mM . . . . 15172 4 2 DSS 'natural abundance' . . . . . . . 0.1 0.5 mM . . . . 15172 4 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 15172 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.5 . M 15172 1 pH 6.5 . pH 15172 1 pressure 1 . atm 15172 1 temperature 298 . K 15172 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 15172 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.0 . M 15172 2 pH 6.5 . pH 15172 2 pressure 1 . atm 15172 2 temperature 298 . K 15172 2 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15172 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15172 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15172 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15172 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15172 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 15172 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15172 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15172 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15172 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15172 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equiped with a cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 15172 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 15172 _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 Bruker Avance . 600 'equiped with a cryoprobe' . . 15172 1 2 spectrometer_2 Bruker Avance . 800 . . . 15172 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 15172 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15172 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15172 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15172 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15172 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15172 1 6 '3D HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15172 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15172 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15172 1 9 '3D HNHA' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15172 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15172 1 11 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15172 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15172 1 13 '2D 1H-1H COSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15172 1 14 '2D 1H-1H TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15172 1 15 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15172 1 16 '2D 1H-1H COSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15172 1 17 '2D 1H-1H TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15172 1 18 '2D 1H-1H NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15172 1 19 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15172 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 15172 _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 . . . . . . . . . 15172 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15172 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15172 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 15172 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15172 1 2 '3D HNCA' . . . 15172 1 3 '3D HNCACB' . . . 15172 1 4 '3D CBCA(CO)NH' . . . 15172 1 6 '3D HACANH' . . . 15172 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 1 $SPARKY . . 15172 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.65 0.01 . 1 . . . . 1 MET HA . 15172 1 2 . 1 1 1 1 MET CA C 13 53.9 0.1 . 1 . . . . 1 MET CA . 15172 1 3 . 1 1 1 1 MET CB C 13 40.7 0.1 . 1 . . . . 1 MET CB . 15172 1 4 . 1 1 2 2 GLY H H 1 8.29 0.01 . 1 . . . . 2 GLY HN . 15172 1 5 . 1 1 2 2 GLY HA2 H 1 4.02 0.01 . 1 . . . . 2 GLY HA1 . 15172 1 6 . 1 1 2 2 GLY HA3 H 1 4.02 0.01 . 1 . . . . 2 GLY HA2 . 15172 1 7 . 1 1 2 2 GLY CA C 13 45.0 0.1 . 1 . . . . 2 GLY CA . 15172 1 8 . 1 1 2 2 GLY N N 15 110.1 0.1 . 1 . . . . 2 GLY N . 15172 1 9 . 1 1 3 3 THR H H 1 7.93 0.01 . 1 . . . . 3 THR HN . 15172 1 10 . 1 1 3 3 THR HA H 1 4.30 0.01 . 1 . . . . 3 THR HA . 15172 1 11 . 1 1 3 3 THR CA C 13 59.6 0.1 . 1 . . . . 3 THR CA . 15172 1 12 . 1 1 3 3 THR CB C 13 64.5 0.1 . 1 . . . . 3 THR CB . 15172 1 13 . 1 1 3 3 THR N N 15 121.6 0.1 . 1 . . . . 3 THR N . 15172 1 14 . 1 1 11 11 SER CA C 13 57.7 0.1 . 1 . . . . 11 SER CA . 15172 1 15 . 1 1 11 11 SER CB C 13 63.3 0.1 . 1 . . . . 11 SER CB . 15172 1 16 . 1 1 12 12 SER H H 1 8.55 0.01 . 1 . . . . 12 SER HN . 15172 1 17 . 1 1 12 12 SER HA H 1 4.52 0.01 . 1 . . . . 12 SER HA . 15172 1 18 . 1 1 12 12 SER CA C 13 58.1 0.1 . 1 . . . . 12 SER CA . 15172 1 19 . 1 1 12 12 SER CB C 13 63.3 0.1 . 1 . . . . 12 SER CB . 15172 1 20 . 1 1 12 12 SER N N 15 118.3 0.1 . 1 . . . . 12 SER N . 15172 1 21 . 1 1 13 13 GLY H H 1 8.50 0.01 . 1 . . . . 13 GLY HN . 15172 1 22 . 1 1 13 13 GLY HA2 H 1 4.03 0.01 . 1 . . . . 13 GLY HA1 . 15172 1 23 . 1 1 13 13 GLY HA3 H 1 4.03 0.01 . 1 . . . . 13 GLY HA2 . 15172 1 24 . 1 1 13 13 GLY CA C 13 45.0 0.1 . 1 . . . . 13 GLY CA . 15172 1 25 . 1 1 13 13 GLY N N 15 111.1 0.1 . 1 . . . . 13 GLY N . 15172 1 26 . 1 1 14 14 ARG H H 1 8.19 0.01 . 1 . . . . 14 ARG HN . 15172 1 27 . 1 1 14 14 ARG HA H 1 4.34 0.01 . 1 . . . . 14 ARG HA . 15172 1 28 . 1 1 14 14 ARG CA C 13 55.7 0.1 . 1 . . . . 14 ARG CA . 15172 1 29 . 1 1 14 14 ARG CB C 13 30.1 0.1 . 1 . . . . 14 ARG CB . 15172 1 30 . 1 1 14 14 ARG N N 15 120.5 0.1 . 1 . . . . 14 ARG N . 15172 1 31 . 1 1 15 15 GLU H H 1 8.59 0.01 . 1 . . . . 15 GLU HN . 15172 1 32 . 1 1 15 15 GLU HA H 1 4.24 0.01 . 1 . . . . 15 GLU HA . 15172 1 33 . 1 1 15 15 GLU CA C 13 56.6 0.1 . 1 . . . . 15 GLU CA . 15172 1 34 . 1 1 15 15 GLU CB C 13 29.4 0.1 . 1 . . . . 15 GLU CB . 15172 1 35 . 1 1 15 15 GLU N N 15 121.2 0.1 . 1 . . . . 15 GLU N . 15172 1 36 . 1 1 16 16 ASN H H 1 8.37 0.01 . 1 . . . . 16 ASN HN . 15172 1 37 . 1 1 16 16 ASN HA H 1 4.67 0.01 . 1 . . . . 16 ASN HA . 15172 1 38 . 1 1 16 16 ASN HD21 H 1 7.66 0.01 . 2 . . . . 16 ASN HD21 . 15172 1 39 . 1 1 16 16 ASN HD22 H 1 6.97 0.01 . 2 . . . . 16 ASN HD22 . 15172 1 40 . 1 1 16 16 ASN CA C 13 52.8 0.1 . 1 . . . . 16 ASN CA . 15172 1 41 . 1 1 16 16 ASN CB C 13 38.2 0.1 . 1 . . . . 16 ASN CB . 15172 1 42 . 1 1 16 16 ASN N N 15 119.1 0.1 . 1 . . . . 16 ASN N . 15172 1 43 . 1 1 16 16 ASN ND2 N 15 111.2 0.1 . 1 . . . . 16 ASN ND2 . 15172 1 44 . 1 1 17 17 LEU H H 1 8.06 0.01 . 1 . . . . 17 LEU HN . 15172 1 45 . 1 1 17 17 LEU HA H 1 4.22 0.01 . 1 . . . . 17 LEU HA . 15172 1 46 . 1 1 17 17 LEU CA C 13 55.0 0.1 . 1 . . . . 17 LEU CA . 15172 1 47 . 1 1 17 17 LEU CB C 13 41.7 0.1 . 1 . . . . 17 LEU CB . 15172 1 48 . 1 1 17 17 LEU N N 15 122.0 0.1 . 1 . . . . 17 LEU N . 15172 1 49 . 1 1 18 18 TYR H H 1 8.04 0.01 . 1 . . . . 18 TYR HN . 15172 1 50 . 1 1 18 18 TYR HA H 1 4.47 0.01 . 1 . . . . 18 TYR HA . 15172 1 51 . 1 1 18 18 TYR CA C 13 57.6 0.1 . 1 . . . . 18 TYR CA . 15172 1 52 . 1 1 18 18 TYR CB C 13 37.9 0.1 . 1 . . . . 18 TYR CB . 15172 1 53 . 1 1 18 18 TYR N N 15 119.8 0.1 . 1 . . . . 18 TYR N . 15172 1 54 . 1 1 19 19 PHE H H 1 7.96 0.01 . 1 . . . . 19 PHE HN . 15172 1 55 . 1 1 19 19 PHE HA H 1 4.50 0.01 . 1 . . . . 19 PHE HA . 15172 1 56 . 1 1 19 19 PHE CA C 13 57.2 0.1 . 1 . . . . 19 PHE CA . 15172 1 57 . 1 1 19 19 PHE CB C 13 38.9 0.1 . 1 . . . . 19 PHE CB . 15172 1 58 . 1 1 19 19 PHE N N 15 121.1 0.1 . 1 . . . . 19 PHE N . 15172 1 59 . 1 1 20 20 GLN H H 1 8.17 0.01 . 1 . . . . 20 GLN HN . 15172 1 60 . 1 1 20 20 GLN HA H 1 4.24 0.01 . 1 . . . . 20 GLN HA . 15172 1 61 . 1 1 20 20 GLN HE21 H 1 7.46 0.01 . 2 . . . . 20 GLN HE21 . 15172 1 62 . 1 1 20 20 GLN HE22 H 1 6.79 0.01 . 2 . . . . 20 GLN HE22 . 15172 1 63 . 1 1 20 20 GLN CA C 13 55.6 0.1 . 1 . . . . 20 GLN CA . 15172 1 64 . 1 1 20 20 GLN CB C 13 28.8 0.1 . 1 . . . . 20 GLN CB . 15172 1 65 . 1 1 20 20 GLN N N 15 121.6 0.1 . 1 . . . . 20 GLN N . 15172 1 66 . 1 1 20 20 GLN NE2 N 15 112.3 0.1 . 1 . . . . 20 GLN NE2 . 15172 1 67 . 1 1 21 21 GLY H H 1 7.94 0.01 . 1 . . . . 21 GLY HN . 15172 1 68 . 1 1 21 21 GLY HA2 H 1 3.89 0.01 . 1 . . . . 21 GLY HA1 . 15172 1 69 . 1 1 21 21 GLY HA3 H 1 3.89 0.01 . 1 . . . . 21 GLY HA2 . 15172 1 70 . 1 1 21 21 GLY CA C 13 44.9 0.1 . 1 . . . . 21 GLY CA . 15172 1 71 . 1 1 21 21 GLY N N 15 109.1 0.1 . 1 . . . . 21 GLY N . 15172 1 72 . 1 1 22 22 HIS H H 1 8.10 0.01 . 1 . . . . 22 HIS HN . 15172 1 73 . 1 1 22 22 HIS HA H 1 4.76 0.01 . 1 . . . . 22 HIS HA . 15172 1 74 . 1 1 22 22 HIS CA C 13 55.0 0.1 . 1 . . . . 22 HIS CA . 15172 1 75 . 1 1 22 22 HIS CB C 13 29.5 0.1 . 1 . . . . 22 HIS CB . 15172 1 76 . 1 1 22 22 HIS N N 15 118.5 0.1 . 1 . . . . 22 HIS N . 15172 1 77 . 1 1 23 23 MET H H 1 8.24 0.01 . 1 . . . . 23 MET HN . 15172 1 78 . 1 1 23 23 MET HA H 1 4.70 0.01 . 1 . . . . 23 MET HA . 15172 1 79 . 1 1 23 23 MET CA C 13 55.0 0.1 . 1 . . . . 23 MET CA . 15172 1 80 . 1 1 23 23 MET N N 15 121.6 0.1 . 1 . . . . 23 MET N . 15172 1 81 . 1 1 24 24 ARG H H 1 8.89 0.01 . 1 . . . . 24 ARG HN . 15172 1 82 . 1 1 24 24 ARG HA H 1 4.51 0.01 . 1 . . . . 24 ARG HA . 15172 1 83 . 1 1 24 24 ARG CA C 13 54.4 0.1 . 1 . . . . 24 ARG CA . 15172 1 84 . 1 1 24 24 ARG CB C 13 33.0 0.1 . 1 . . . . 24 ARG CB . 15172 1 85 . 1 1 24 24 ARG N N 15 124.4 0.1 . 1 . . . . 24 ARG N . 15172 1 86 . 1 1 25 25 GLU H H 1 8.20 0.01 . 1 . . . . 25 GLU HN . 15172 1 87 . 1 1 25 25 GLU HA H 1 5.04 0.01 . 1 . . . . 25 GLU HA . 15172 1 88 . 1 1 25 25 GLU CA C 13 54.2 0.1 . 1 . . . . 25 GLU CA . 15172 1 89 . 1 1 25 25 GLU CB C 13 31.7 0.1 . 1 . . . . 25 GLU CB . 15172 1 90 . 1 1 25 25 GLU N N 15 120.9 0.1 . 1 . . . . 25 GLU N . 15172 1 91 . 1 1 26 26 TYR H H 1 9.06 0.01 . 1 . . . . 26 TYR HN . 15172 1 92 . 1 1 26 26 TYR HA H 1 5.06 0.01 . 1 . . . . 26 TYR HA . 15172 1 93 . 1 1 26 26 TYR CA C 13 54.4 0.1 . 1 . . . . 26 TYR CA . 15172 1 94 . 1 1 26 26 TYR CB C 13 39.4 0.1 . 1 . . . . 26 TYR CB . 15172 1 95 . 1 1 26 26 TYR N N 15 122.1 0.1 . 1 . . . . 26 TYR N . 15172 1 96 . 1 1 27 27 PRO HA H 1 4.72 0.01 . 1 . . . . 27 PRO HA . 15172 1 97 . 1 1 27 27 PRO CA C 13 61.6 0.1 . 1 . . . . 27 PRO CA . 15172 1 98 . 1 1 27 27 PRO CB C 13 32.0 0.1 . 1 . . . . 27 PRO CB . 15172 1 99 . 1 1 28 28 VAL H H 1 7.69 0.01 . 1 . . . . 28 VAL HN . 15172 1 100 . 1 1 28 28 VAL HA H 1 4.50 0.01 . 1 . . . . 28 VAL HA . 15172 1 101 . 1 1 28 28 VAL CA C 13 60.8 0.1 . 1 . . . . 28 VAL CA . 15172 1 102 . 1 1 28 28 VAL CB C 13 33.5 0.1 . 1 . . . . 28 VAL CB . 15172 1 103 . 1 1 28 28 VAL N N 15 118.4 0.1 . 1 . . . . 28 VAL N . 15172 1 104 . 1 1 29 29 LYS H H 1 8.59 0.01 . 1 . . . . 29 LYS HN . 15172 1 105 . 1 1 29 29 LYS HA H 1 3.87 0.01 . 1 . . . . 29 LYS HA . 15172 1 106 . 1 1 29 29 LYS CA C 13 56.2 0.1 . 1 . . . . 29 LYS CA . 15172 1 107 . 1 1 29 29 LYS CB C 13 32.5 0.1 . 1 . . . . 29 LYS CB . 15172 1 108 . 1 1 29 29 LYS N N 15 132.7 0.1 . 1 . . . . 29 LYS N . 15172 1 109 . 1 1 30 30 LYS H H 1 8.30 0.01 . 1 . . . . 30 LYS HN . 15172 1 110 . 1 1 30 30 LYS HA H 1 4.15 0.01 . 1 . . . . 30 LYS HA . 15172 1 111 . 1 1 30 30 LYS CA C 13 58.5 0.1 . 1 . . . . 30 LYS CA . 15172 1 112 . 1 1 30 30 LYS CB C 13 31.6 0.1 . 1 . . . . 30 LYS CB . 15172 1 113 . 1 1 30 30 LYS N N 15 125.4 0.1 . 1 . . . . 30 LYS N . 15172 1 114 . 1 1 31 31 GLY H H 1 8.84 0.01 . 1 . . . . 31 GLY HN . 15172 1 115 . 1 1 31 31 GLY HA2 H 1 4.35 0.01 . 2 . . . . 31 GLY HA1 . 15172 1 116 . 1 1 31 31 GLY HA3 H 1 3.63 0.01 . 2 . . . . 31 GLY HA2 . 15172 1 117 . 1 1 31 31 GLY CA C 13 44.3 0.1 . 1 . . . . 31 GLY CA . 15172 1 118 . 1 1 31 31 GLY N N 15 114.4 0.1 . 1 . . . . 31 GLY N . 15172 1 119 . 1 1 32 32 PHE H H 1 8.45 0.01 . 1 . . . . 32 PHE HN . 15172 1 120 . 1 1 32 32 PHE HA H 1 4.51 0.01 . 1 . . . . 32 PHE HA . 15172 1 121 . 1 1 32 32 PHE CA C 13 56.2 0.1 . 1 . . . . 32 PHE CA . 15172 1 122 . 1 1 32 32 PHE CB C 13 36.6 0.1 . 1 . . . . 32 PHE CB . 15172 1 123 . 1 1 32 32 PHE N N 15 124.2 0.1 . 1 . . . . 32 PHE N . 15172 1 124 . 1 1 33 33 PRO CA C 13 63.1 0.1 . 1 . . . . 33 PRO CA . 15172 1 125 . 1 1 33 33 PRO CB C 13 32.2 0.1 . 1 . . . . 33 PRO CB . 15172 1 126 . 1 1 34 34 THR H H 1 8.29 0.01 . 1 . . . . 34 THR HN . 15172 1 127 . 1 1 34 34 THR HA H 1 4.53 0.01 . 1 . . . . 34 THR HA . 15172 1 128 . 1 1 34 34 THR CA C 13 59.6 0.1 . 1 . . . . 34 THR CA . 15172 1 129 . 1 1 34 34 THR CB C 13 69.4 0.1 . 1 . . . . 34 THR CB . 15172 1 130 . 1 1 34 34 THR N N 15 106.1 0.1 . 1 . . . . 34 THR N . 15172 1 131 . 1 1 35 35 ASP H H 1 7.61 0.01 . 1 . . . . 35 ASP HN . 15172 1 132 . 1 1 35 35 ASP HA H 1 4.97 0.01 . 1 . . . . 35 ASP HA . 15172 1 133 . 1 1 35 35 ASP CA C 13 51.8 0.1 . 1 . . . . 35 ASP CA . 15172 1 134 . 1 1 35 35 ASP CB C 13 42.4 0.1 . 1 . . . . 35 ASP CB . 15172 1 135 . 1 1 35 35 ASP N N 15 118.1 0.1 . 1 . . . . 35 ASP N . 15172 1 136 . 1 1 36 36 TYR H H 1 8.66 0.01 . 1 . . . . 36 TYR HN . 15172 1 137 . 1 1 36 36 TYR HA H 1 3.81 0.01 . 1 . . . . 36 TYR HA . 15172 1 138 . 1 1 36 36 TYR CA C 13 62.9 0.1 . 1 . . . . 36 TYR CA . 15172 1 139 . 1 1 36 36 TYR CB C 13 38.8 0.1 . 1 . . . . 36 TYR CB . 15172 1 140 . 1 1 36 36 TYR N N 15 120.0 0.1 . 1 . . . . 36 TYR N . 15172 1 141 . 1 1 37 37 ASP H H 1 8.63 0.01 . 1 . . . . 37 ASP HN . 15172 1 142 . 1 1 37 37 ASP HA H 1 4.42 0.01 . 1 . . . . 37 ASP HA . 15172 1 143 . 1 1 37 37 ASP CA C 13 57.5 0.1 . 1 . . . . 37 ASP CA . 15172 1 144 . 1 1 37 37 ASP CB C 13 40.1 0.1 . 1 . . . . 37 ASP CB . 15172 1 145 . 1 1 37 37 ASP N N 15 117.0 0.1 . 1 . . . . 37 ASP N . 15172 1 146 . 1 1 38 38 SER H H 1 8.28 0.01 . 1 . . . . 38 SER HN . 15172 1 147 . 1 1 38 38 SER HA H 1 4.22 0.01 . 1 . . . . 38 SER HA . 15172 1 148 . 1 1 38 38 SER CA C 13 61.5 0.1 . 1 . . . . 38 SER CA . 15172 1 149 . 1 1 38 38 SER N N 15 116.6 0.1 . 1 . . . . 38 SER N . 15172 1 150 . 1 1 39 39 ILE H H 1 8.34 0.01 . 1 . . . . 39 ILE HN . 15172 1 151 . 1 1 39 39 ILE HA H 1 3.56 0.01 . 1 . . . . 39 ILE HA . 15172 1 152 . 1 1 39 39 ILE CA C 13 65.2 0.1 . 1 . . . . 39 ILE CA . 15172 1 153 . 1 1 39 39 ILE N N 15 124.0 0.1 . 1 . . . . 39 ILE N . 15172 1 154 . 1 1 40 40 LYS H H 1 8.07 0.01 . 1 . . . . 40 LYS HN . 15172 1 155 . 1 1 40 40 LYS HA H 1 3.79 0.01 . 1 . . . . 40 LYS HA . 15172 1 156 . 1 1 40 40 LYS CA C 13 60.8 0.1 . 1 . . . . 40 LYS CA . 15172 1 157 . 1 1 40 40 LYS CB C 13 31.6 0.1 . 1 . . . . 40 LYS CB . 15172 1 158 . 1 1 40 40 LYS N N 15 118.7 0.1 . 1 . . . . 40 LYS N . 15172 1 159 . 1 1 41 41 ARG H H 1 8.01 0.01 . 1 . . . . 41 ARG HN . 15172 1 160 . 1 1 41 41 ARG HA H 1 4.06 0.01 . 1 . . . . 41 ARG HA . 15172 1 161 . 1 1 41 41 ARG CA C 13 58.9 0.1 . 1 . . . . 41 ARG CA . 15172 1 162 . 1 1 41 41 ARG CB C 13 29.6 0.1 . 1 . . . . 41 ARG CB . 15172 1 163 . 1 1 41 41 ARG N N 15 117.2 0.1 . 1 . . . . 41 ARG N . 15172 1 164 . 1 1 42 42 LYS H H 1 7.98 0.01 . 1 . . . . 42 LYS HN . 15172 1 165 . 1 1 42 42 LYS HA H 1 4.18 0.01 . 1 . . . . 42 LYS HA . 15172 1 166 . 1 1 42 42 LYS CA C 13 57.6 0.1 . 1 . . . . 42 LYS CA . 15172 1 167 . 1 1 42 42 LYS CB C 13 30.9 0.1 . 1 . . . . 42 LYS CB . 15172 1 168 . 1 1 42 42 LYS N N 15 120.1 0.1 . 1 . . . . 42 LYS N . 15172 1 169 . 1 1 43 43 ILE H H 1 8.18 0.01 . 1 . . . . 43 ILE HN . 15172 1 170 . 1 1 43 43 ILE HA H 1 3.67 0.01 . 1 . . . . 43 ILE HA . 15172 1 171 . 1 1 43 43 ILE CA C 13 66.6 0.1 . 1 . . . . 43 ILE CA . 15172 1 172 . 1 1 43 43 ILE CB C 13 37.7 0.1 . 1 . . . . 43 ILE CB . 15172 1 173 . 1 1 43 43 ILE N N 15 117.9 0.1 . 1 . . . . 43 ILE N . 15172 1 174 . 1 1 44 44 SER H H 1 7.88 0.01 . 1 . . . . 44 SER HN . 15172 1 175 . 1 1 44 44 SER HA H 1 4.64 0.01 . 1 . . . . 44 SER HA . 15172 1 176 . 1 1 44 44 SER CA C 13 61.0 0.1 . 1 . . . . 44 SER CA . 15172 1 177 . 1 1 44 44 SER CB C 13 62.4 0.1 . 1 . . . . 44 SER CB . 15172 1 178 . 1 1 44 44 SER N N 15 113.4 0.1 . 1 . . . . 44 SER N . 15172 1 179 . 1 1 45 45 GLU H H 1 8.58 0.01 . 1 . . . . 45 GLU HN . 15172 1 180 . 1 1 45 45 GLU HA H 1 4.06 0.01 . 1 . . . . 45 GLU HA . 15172 1 181 . 1 1 45 45 GLU CA C 13 58.7 0.1 . 1 . . . . 45 GLU CA . 15172 1 182 . 1 1 45 45 GLU CB C 13 28.9 0.1 . 1 . . . . 45 GLU CB . 15172 1 183 . 1 1 45 45 GLU N N 15 124.8 0.1 . 1 . . . . 45 GLU N . 15172 1 184 . 1 1 46 46 LEU H H 1 7.89 0.01 . 1 . . . . 46 LEU HN . 15172 1 185 . 1 1 46 46 LEU HA H 1 4.15 0.01 . 1 . . . . 46 LEU HA . 15172 1 186 . 1 1 46 46 LEU CA C 13 54.9 0.1 . 1 . . . . 46 LEU CA . 15172 1 187 . 1 1 46 46 LEU CB C 13 42.0 0.1 . 1 . . . . 46 LEU CB . 15172 1 188 . 1 1 46 46 LEU N N 15 118.5 0.1 . 1 . . . . 46 LEU N . 15172 1 189 . 1 1 47 47 GLY H H 1 7.80 0.01 . 1 . . . . 47 GLY HN . 15172 1 190 . 1 1 47 47 GLY HA2 H 1 3.96 0.01 . 2 . . . . 47 GLY HA1 . 15172 1 191 . 1 1 47 47 GLY HA3 H 1 3.67 0.01 . 2 . . . . 47 GLY HA2 . 15172 1 192 . 1 1 47 47 GLY CA C 13 44.2 0.1 . 1 . . . . 47 GLY CA . 15172 1 193 . 1 1 47 47 GLY N N 15 104.9 0.1 . 1 . . . . 47 GLY N . 15172 1 194 . 1 1 48 48 PHE H H 1 7.23 0.01 . 1 . . . . 48 PHE HN . 15172 1 195 . 1 1 48 48 PHE HA H 1 5.21 0.01 . 1 . . . . 48 PHE HA . 15172 1 196 . 1 1 48 48 PHE CA C 13 54.8 0.1 . 1 . . . . 48 PHE CA . 15172 1 197 . 1 1 48 48 PHE CB C 13 39.0 0.1 . 1 . . . . 48 PHE CB . 15172 1 198 . 1 1 48 48 PHE N N 15 119.9 0.1 . 1 . . . . 48 PHE N . 15172 1 199 . 1 1 49 49 ASP H H 1 8.30 0.01 . 1 . . . . 49 ASP HN . 15172 1 200 . 1 1 49 49 ASP HA H 1 4.70 0.01 . 1 . . . . 49 ASP HA . 15172 1 201 . 1 1 49 49 ASP CA C 13 54.4 0.1 . 1 . . . . 49 ASP CA . 15172 1 202 . 1 1 49 49 ASP CB C 13 41.9 0.1 . 1 . . . . 49 ASP CB . 15172 1 203 . 1 1 49 49 ASP N N 15 121.6 0.1 . 1 . . . . 49 ASP N . 15172 1 204 . 1 1 50 50 VAL H H 1 8.03 0.01 . 1 . . . . 50 VAL HN . 15172 1 205 . 1 1 50 50 VAL HA H 1 5.40 0.01 . 1 . . . . 50 VAL HA . 15172 1 206 . 1 1 50 50 VAL CA C 13 58.7 0.1 . 1 . . . . 50 VAL CA . 15172 1 207 . 1 1 50 50 VAL CB C 13 34.3 0.1 . 1 . . . . 50 VAL CB . 15172 1 208 . 1 1 50 50 VAL N N 15 118.5 0.1 . 1 . . . . 50 VAL N . 15172 1 209 . 1 1 51 51 LYS H H 1 8.86 0.01 . 1 . . . . 51 LYS HN . 15172 1 210 . 1 1 51 51 LYS HA H 1 4.86 0.01 . 1 . . . . 51 LYS HA . 15172 1 211 . 1 1 51 51 LYS CA C 13 54.1 0.1 . 1 . . . . 51 LYS CA . 15172 1 212 . 1 1 51 51 LYS CB C 13 35.4 0.1 . 1 . . . . 51 LYS CB . 15172 1 213 . 1 1 51 51 LYS N N 15 124.7 0.1 . 1 . . . . 51 LYS N . 15172 1 214 . 1 1 52 52 SER H H 1 8.75 0.01 . 1 . . . . 52 SER HN . 15172 1 215 . 1 1 52 52 SER HA H 1 5.14 0.01 . 1 . . . . 52 SER HA . 15172 1 216 . 1 1 52 52 SER CA C 13 58.2 0.1 . 1 . . . . 52 SER CA . 15172 1 217 . 1 1 52 52 SER CB C 13 64.4 0.1 . 1 . . . . 52 SER CB . 15172 1 218 . 1 1 52 52 SER N N 15 116.5 0.1 . 1 . . . . 52 SER N . 15172 1 219 . 1 1 53 53 GLU H H 1 8.54 0.01 . 1 . . . . 53 GLU HN . 15172 1 220 . 1 1 53 53 GLU HA H 1 4.54 0.01 . 1 . . . . 53 GLU HA . 15172 1 221 . 1 1 53 53 GLU CA C 13 54.9 0.1 . 1 . . . . 53 GLU CA . 15172 1 222 . 1 1 53 53 GLU CB C 13 31.6 0.1 . 1 . . . . 53 GLU CB . 15172 1 223 . 1 1 53 53 GLU N N 15 125.4 0.1 . 1 . . . . 53 GLU N . 15172 1 224 . 1 1 54 54 GLY H H 1 9.05 0.01 . 1 . . . . 54 GLY HN . 15172 1 225 . 1 1 54 54 GLY HA2 H 1 4.06 0.01 . 2 . . . . 54 GLY HA1 . 15172 1 226 . 1 1 54 54 GLY HA3 H 1 3.71 0.01 . 2 . . . . 54 GLY HA2 . 15172 1 227 . 1 1 54 54 GLY CA C 13 46.9 0.1 . 1 . . . . 54 GLY CA . 15172 1 228 . 1 1 54 54 GLY N N 15 117.3 0.1 . 1 . . . . 54 GLY N . 15172 1 229 . 1 1 55 55 ASP H H 1 8.83 0.01 . 1 . . . . 55 ASP HN . 15172 1 230 . 1 1 55 55 ASP HA H 1 4.64 0.01 . 1 . . . . 55 ASP HA . 15172 1 231 . 1 1 55 55 ASP CA C 13 53.5 0.1 . 1 . . . . 55 ASP CA . 15172 1 232 . 1 1 55 55 ASP CB C 13 39.9 0.1 . 1 . . . . 55 ASP CB . 15172 1 233 . 1 1 55 55 ASP N N 15 127.1 0.1 . 1 . . . . 55 ASP N . 15172 1 234 . 1 1 56 56 LEU H H 1 8.23 0.01 . 1 . . . . 56 LEU HN . 15172 1 235 . 1 1 56 56 LEU HA H 1 5.07 0.01 . 1 . . . . 56 LEU HA . 15172 1 236 . 1 1 56 56 LEU CA C 13 53.3 0.1 . 1 . . . . 56 LEU CA . 15172 1 237 . 1 1 56 56 LEU CB C 13 44.8 0.1 . 1 . . . . 56 LEU CB . 15172 1 238 . 1 1 56 56 LEU N N 15 119.2 0.1 . 1 . . . . 56 LEU N . 15172 1 239 . 1 1 57 57 ILE H H 1 9.16 0.01 . 1 . . . . 57 ILE HN . 15172 1 240 . 1 1 57 57 ILE HA H 1 4.37 0.01 . 1 . . . . 57 ILE HA . 15172 1 241 . 1 1 57 57 ILE CA C 13 60.6 0.1 . 1 . . . . 57 ILE CA . 15172 1 242 . 1 1 57 57 ILE CB C 13 39.0 0.1 . 1 . . . . 57 ILE CB . 15172 1 243 . 1 1 57 57 ILE N N 15 124.7 0.1 . 1 . . . . 57 ILE N . 15172 1 244 . 1 1 58 58 ILE H H 1 9.14 0.01 . 1 . . . . 58 ILE HN . 15172 1 245 . 1 1 58 58 ILE HA H 1 5.28 0.01 . 1 . . . . 58 ILE HA . 15172 1 246 . 1 1 58 58 ILE CA C 13 57.1 0.1 . 1 . . . . 58 ILE CA . 15172 1 247 . 1 1 58 58 ILE N N 15 126.7 0.1 . 1 . . . . 58 ILE N . 15172 1 248 . 1 1 59 59 ALA H H 1 9.38 0.01 . 1 . . . . 59 ALA HN . 15172 1 249 . 1 1 59 59 ALA HA H 1 5.55 0.01 . 1 . . . . 59 ALA HA . 15172 1 250 . 1 1 59 59 ALA CA C 13 49.0 0.1 . 1 . . . . 59 ALA CA . 15172 1 251 . 1 1 59 59 ALA CB C 13 22.3 0.1 . 1 . . . . 59 ALA CB . 15172 1 252 . 1 1 59 59 ALA N N 15 130.5 0.1 . 1 . . . . 59 ALA N . 15172 1 253 . 1 1 60 60 SER H H 1 7.69 0.01 . 1 . . . . 60 SER HN . 15172 1 254 . 1 1 60 60 SER HA H 1 4.77 0.01 . 1 . . . . 60 SER HA . 15172 1 255 . 1 1 60 60 SER CA C 13 56.6 0.1 . 1 . . . . 60 SER CA . 15172 1 256 . 1 1 60 60 SER CB C 13 64.6 0.1 . 1 . . . . 60 SER CB . 15172 1 257 . 1 1 60 60 SER N N 15 113.3 0.1 . 1 . . . . 60 SER N . 15172 1 258 . 1 1 61 61 ILE H H 1 8.07 0.01 . 1 . . . . 61 ILE HN . 15172 1 259 . 1 1 61 61 ILE HA H 1 4.61 0.01 . 1 . . . . 61 ILE HA . 15172 1 260 . 1 1 61 61 ILE CA C 13 57.0 0.1 . 1 . . . . 61 ILE CA . 15172 1 261 . 1 1 61 61 ILE N N 15 118.8 0.1 . 1 . . . . 61 ILE N . 15172 1 262 . 1 1 62 62 PRO HA H 1 4.22 0.01 . 1 . . . . 62 PRO HA . 15172 1 263 . 1 1 62 62 PRO CA C 13 64.6 0.1 . 1 . . . . 62 PRO CA . 15172 1 264 . 1 1 62 62 PRO CB C 13 30.1 0.1 . 1 . . . . 62 PRO CB . 15172 1 265 . 1 1 63 63 GLY H H 1 8.33 0.01 . 1 . . . . 63 GLY HN . 15172 1 266 . 1 1 63 63 GLY HA2 H 1 4.44 0.01 . 2 . . . . 63 GLY HA1 . 15172 1 267 . 1 1 63 63 GLY HA3 H 1 3.47 0.01 . 2 . . . . 63 GLY HA2 . 15172 1 268 . 1 1 63 63 GLY CA C 13 45.2 0.1 . 1 . . . . 63 GLY CA . 15172 1 269 . 1 1 63 63 GLY N N 15 114.5 0.1 . 1 . . . . 63 GLY N . 15172 1 270 . 1 1 64 64 ILE H H 1 7.99 0.01 . 1 . . . . 64 ILE HN . 15172 1 271 . 1 1 64 64 ILE HA H 1 4.25 0.01 . 1 . . . . 64 ILE HA . 15172 1 272 . 1 1 64 64 ILE CA C 13 61.4 0.1 . 1 . . . . 64 ILE CA . 15172 1 273 . 1 1 64 64 ILE CB C 13 39.7 0.1 . 1 . . . . 64 ILE CB . 15172 1 274 . 1 1 64 64 ILE N N 15 118.8 0.1 . 1 . . . . 64 ILE N . 15172 1 275 . 1 1 65 65 SER H H 1 8.86 0.01 . 1 . . . . 65 SER HN . 15172 1 276 . 1 1 65 65 SER HA H 1 4.30 0.01 . 1 . . . . 65 SER HA . 15172 1 277 . 1 1 65 65 SER CA C 13 60.9 0.1 . 1 . . . . 65 SER CA . 15172 1 278 . 1 1 65 65 SER CB C 13 63.1 0.1 . 1 . . . . 65 SER CB . 15172 1 279 . 1 1 65 65 SER N N 15 121.8 0.1 . 1 . . . . 65 SER N . 15172 1 280 . 1 1 66 66 ARG H H 1 8.13 0.01 . 1 . . . . 66 ARG HN . 15172 1 281 . 1 1 66 66 ARG HA H 1 4.51 0.01 . 1 . . . . 66 ARG HA . 15172 1 282 . 1 1 66 66 ARG CA C 13 56.1 0.1 . 1 . . . . 66 ARG CA . 15172 1 283 . 1 1 66 66 ARG CB C 13 32.0 0.1 . 1 . . . . 66 ARG CB . 15172 1 284 . 1 1 66 66 ARG N N 15 123.1 0.1 . 1 . . . . 66 ARG N . 15172 1 285 . 1 1 67 67 ILE H H 1 8.82 0.01 . 1 . . . . 67 ILE HN . 15172 1 286 . 1 1 67 67 ILE HA H 1 4.48 0.01 . 1 . . . . 67 ILE HA . 15172 1 287 . 1 1 67 67 ILE CA C 13 60.5 0.1 . 1 . . . . 67 ILE CA . 15172 1 288 . 1 1 67 67 ILE N N 15 128.3 0.1 . 1 . . . . 67 ILE N . 15172 1 289 . 1 1 68 68 GLU H H 1 8.79 0.01 . 1 . . . . 68 GLU HN . 15172 1 290 . 1 1 68 68 GLU HA H 1 4.95 0.01 . 1 . . . . 68 GLU HA . 15172 1 291 . 1 1 68 68 GLU CA C 13 54.2 0.1 . 1 . . . . 68 GLU CA . 15172 1 292 . 1 1 68 68 GLU N N 15 125.4 0.1 . 1 . . . . 68 GLU N . 15172 1 293 . 1 1 69 69 ILE H H 1 9.76 0.01 . 1 . . . . 69 ILE HN . 15172 1 294 . 1 1 69 69 ILE HA H 1 5.14 0.01 . 1 . . . . 69 ILE HA . 15172 1 295 . 1 1 69 69 ILE CA C 13 59.9 0.1 . 1 . . . . 69 ILE CA . 15172 1 296 . 1 1 69 69 ILE N N 15 123.9 0.1 . 1 . . . . 69 ILE N . 15172 1 297 . 1 1 70 70 LYS H H 1 9.35 0.01 . 1 . . . . 70 LYS HN . 15172 1 298 . 1 1 70 70 LYS HA H 1 5.23 0.01 . 1 . . . . 70 LYS HA . 15172 1 299 . 1 1 70 70 LYS CA C 13 51.9 0.1 . 1 . . . . 70 LYS CA . 15172 1 300 . 1 1 70 70 LYS N N 15 127.8 0.1 . 1 . . . . 70 LYS N . 15172 1 301 . 1 1 71 71 PRO HA H 1 4.59 0.01 . 1 . . . . 71 PRO HA . 15172 1 302 . 1 1 71 71 PRO CA C 13 62.2 0.1 . 1 . . . . 71 PRO CA . 15172 1 303 . 1 1 71 71 PRO CB C 13 31.9 0.1 . 1 . . . . 71 PRO CB . 15172 1 304 . 1 1 72 72 ASP H H 1 8.40 0.01 . 1 . . . . 72 ASP HN . 15172 1 305 . 1 1 72 72 ASP HA H 1 4.81 0.01 . 1 . . . . 72 ASP HA . 15172 1 306 . 1 1 72 72 ASP CA C 13 53.1 0.1 . 1 . . . . 72 ASP CA . 15172 1 307 . 1 1 72 72 ASP CB C 13 43.4 0.1 . 1 . . . . 72 ASP CB . 15172 1 308 . 1 1 72 72 ASP N N 15 124.2 0.1 . 1 . . . . 72 ASP N . 15172 1 309 . 1 1 73 73 LYS H H 1 9.42 0.01 . 1 . . . . 73 LYS HN . 15172 1 310 . 1 1 73 73 LYS HA H 1 4.18 0.01 . 1 . . . . 73 LYS HA . 15172 1 311 . 1 1 73 73 LYS CA C 13 57.7 0.1 . 1 . . . . 73 LYS CA . 15172 1 312 . 1 1 73 73 LYS CB C 13 30.5 0.1 . 1 . . . . 73 LYS CB . 15172 1 313 . 1 1 73 73 LYS N N 15 122.4 0.1 . 1 . . . . 73 LYS N . 15172 1 314 . 1 1 74 74 ARG H H 1 8.77 0.01 . 1 . . . . 74 ARG HN . 15172 1 315 . 1 1 74 74 ARG HA H 1 4.18 0.01 . 1 . . . . 74 ARG HA . 15172 1 316 . 1 1 74 74 ARG CA C 13 55.9 0.1 . 1 . . . . 74 ARG CA . 15172 1 317 . 1 1 74 74 ARG CB C 13 27.8 0.1 . 1 . . . . 74 ARG CB . 15172 1 318 . 1 1 74 74 ARG N N 15 119.5 0.1 . 1 . . . . 74 ARG N . 15172 1 319 . 1 1 75 75 LYS H H 1 7.71 0.01 . 1 . . . . 75 LYS HN . 15172 1 320 . 1 1 75 75 LYS HA H 1 5.22 0.01 . 1 . . . . 75 LYS HA . 15172 1 321 . 1 1 75 75 LYS CA C 13 54.3 0.1 . 1 . . . . 75 LYS CA . 15172 1 322 . 1 1 75 75 LYS CB C 13 35.3 0.1 . 1 . . . . 75 LYS CB . 15172 1 323 . 1 1 75 75 LYS N N 15 116.8 0.1 . 1 . . . . 75 LYS N . 15172 1 324 . 1 1 76 76 ILE H H 1 8.70 0.01 . 1 . . . . 76 ILE HN . 15172 1 325 . 1 1 76 76 ILE HA H 1 4.76 0.01 . 1 . . . . 76 ILE HA . 15172 1 326 . 1 1 76 76 ILE CA C 13 59.5 0.1 . 1 . . . . 76 ILE CA . 15172 1 327 . 1 1 76 76 ILE CB C 13 41.1 0.1 . 1 . . . . 76 ILE CB . 15172 1 328 . 1 1 76 76 ILE N N 15 112.0 0.1 . 1 . . . . 76 ILE N . 15172 1 329 . 1 1 77 77 LEU H H 1 8.53 0.01 . 1 . . . . 77 LEU HN . 15172 1 330 . 1 1 77 77 LEU HA H 1 5.21 0.01 . 1 . . . . 77 LEU HA . 15172 1 331 . 1 1 77 77 LEU CA C 13 53.2 0.1 . 1 . . . . 77 LEU CA . 15172 1 332 . 1 1 77 77 LEU N N 15 125.2 0.1 . 1 . . . . 77 LEU N . 15172 1 333 . 1 1 78 78 VAL H H 1 9.23 0.01 . 1 . . . . 78 VAL HN . 15172 1 334 . 1 1 78 78 VAL HA H 1 5.38 0.01 . 1 . . . . 78 VAL HA . 15172 1 335 . 1 1 78 78 VAL CA C 13 60.4 0.1 . 1 . . . . 78 VAL CA . 15172 1 336 . 1 1 78 78 VAL N N 15 123.0 0.1 . 1 . . . . 78 VAL N . 15172 1 337 . 1 1 79 79 ASN H H 1 9.52 0.01 . 1 . . . . 79 ASN HN . 15172 1 338 . 1 1 79 79 ASN HA H 1 5.50 0.01 . 1 . . . . 79 ASN HA . 15172 1 339 . 1 1 79 79 ASN HD21 H 1 7.56 0.01 . 2 . . . . 79 ASN HD21 . 15172 1 340 . 1 1 79 79 ASN HD22 H 1 6.89 0.01 . 2 . . . . 79 ASN HD22 . 15172 1 341 . 1 1 79 79 ASN CA C 13 51.3 0.1 . 1 . . . . 79 ASN CA . 15172 1 342 . 1 1 79 79 ASN CB C 13 41.3 0.1 . 1 . . . . 79 ASN CB . 15172 1 343 . 1 1 79 79 ASN N N 15 127.0 0.1 . 1 . . . . 79 ASN N . 15172 1 344 . 1 1 79 79 ASN ND2 N 15 113.0 0.1 . 1 . . . . 79 ASN ND2 . 15172 1 345 . 1 1 80 80 THR H H 1 8.64 0.01 . 1 . . . . 80 THR HN . 15172 1 346 . 1 1 80 80 THR HA H 1 4.58 0.01 . 1 . . . . 80 THR HA . 15172 1 347 . 1 1 80 80 THR CA C 13 61.2 0.1 . 1 . . . . 80 THR CA . 15172 1 348 . 1 1 80 80 THR CB C 13 69.3 0.1 . 1 . . . . 80 THR CB . 15172 1 349 . 1 1 80 80 THR N N 15 118.0 0.1 . 1 . . . . 80 THR N . 15172 1 350 . 1 1 81 81 GLY H H 1 8.08 0.01 . 1 . . . . 81 GLY HN . 15172 1 351 . 1 1 81 81 GLY CA C 13 44.3 0.1 . 1 . . . . 81 GLY CA . 15172 1 352 . 1 1 81 81 GLY N N 15 110.4 0.1 . 1 . . . . 81 GLY N . 15172 1 353 . 1 1 82 82 ASP H H 1 8.10 0.01 . 1 . . . . 82 ASP HN . 15172 1 354 . 1 1 82 82 ASP HA H 1 4.46 0.01 . 1 . . . . 82 ASP HA . 15172 1 355 . 1 1 82 82 ASP CA C 13 53.8 0.1 . 1 . . . . 82 ASP CA . 15172 1 356 . 1 1 82 82 ASP CB C 13 40.8 0.1 . 1 . . . . 82 ASP CB . 15172 1 357 . 1 1 82 82 ASP N N 15 118.2 0.1 . 1 . . . . 82 ASP N . 15172 1 358 . 1 1 83 83 TYR H H 1 8.38 0.01 . 1 . . . . 83 TYR HN . 15172 1 359 . 1 1 83 83 TYR HA H 1 4.93 0.01 . 1 . . . . 83 TYR HA . 15172 1 360 . 1 1 83 83 TYR CA C 13 55.4 0.1 . 1 . . . . 83 TYR CA . 15172 1 361 . 1 1 83 83 TYR CB C 13 37.7 0.1 . 1 . . . . 83 TYR CB . 15172 1 362 . 1 1 83 83 TYR N N 15 121.2 0.1 . 1 . . . . 83 TYR N . 15172 1 363 . 1 1 84 84 ASP H H 1 8.75 0.01 . 1 . . . . 84 ASP HN . 15172 1 364 . 1 1 84 84 ASP HA H 1 4.49 0.01 . 1 . . . . 84 ASP HA . 15172 1 365 . 1 1 84 84 ASP CA C 13 54.1 0.1 . 1 . . . . 84 ASP CA . 15172 1 366 . 1 1 84 84 ASP CB C 13 40.6 0.1 . 1 . . . . 84 ASP CB . 15172 1 367 . 1 1 84 84 ASP N N 15 123.7 0.1 . 1 . . . . 84 ASP N . 15172 1 368 . 1 1 85 85 SER H H 1 8.73 0.01 . 1 . . . . 85 SER HN . 15172 1 369 . 1 1 85 85 SER HA H 1 4.22 0.01 . 1 . . . . 85 SER HA . 15172 1 370 . 1 1 85 85 SER CA C 13 60.2 0.1 . 1 . . . . 85 SER CA . 15172 1 371 . 1 1 85 85 SER CB C 13 62.6 0.1 . 1 . . . . 85 SER CB . 15172 1 372 . 1 1 85 85 SER N N 15 119.1 0.1 . 1 . . . . 85 SER N . 15172 1 373 . 1 1 86 86 ASP H H 1 8.46 0.01 . 1 . . . . 86 ASP HN . 15172 1 374 . 1 1 86 86 ASP HA H 1 4.69 0.01 . 1 . . . . 86 ASP HA . 15172 1 375 . 1 1 86 86 ASP CA C 13 53.2 0.1 . 1 . . . . 86 ASP CA . 15172 1 376 . 1 1 86 86 ASP CB C 13 39.9 0.1 . 1 . . . . 86 ASP CB . 15172 1 377 . 1 1 86 86 ASP N N 15 119.0 0.1 . 1 . . . . 86 ASP N . 15172 1 378 . 1 1 87 87 ALA H H 1 7.37 0.01 . 1 . . . . 87 ALA HN . 15172 1 379 . 1 1 87 87 ALA HA H 1 4.30 0.01 . 1 . . . . 87 ALA HA . 15172 1 380 . 1 1 87 87 ALA CA C 13 51.5 0.1 . 1 . . . . 87 ALA CA . 15172 1 381 . 1 1 87 87 ALA CB C 13 19.6 0.1 . 1 . . . . 87 ALA CB . 15172 1 382 . 1 1 87 87 ALA N N 15 122.1 0.1 . 1 . . . . 87 ALA N . 15172 1 383 . 1 1 88 88 ASP H H 1 8.56 0.01 . 1 . . . . 88 ASP HN . 15172 1 384 . 1 1 88 88 ASP HA H 1 4.65 0.01 . 1 . . . . 88 ASP HA . 15172 1 385 . 1 1 88 88 ASP CA C 13 53.1 0.1 . 1 . . . . 88 ASP CA . 15172 1 386 . 1 1 88 88 ASP CB C 13 40.6 0.1 . 1 . . . . 88 ASP CB . 15172 1 387 . 1 1 88 88 ASP N N 15 121.7 0.1 . 1 . . . . 88 ASP N . 15172 1 388 . 1 1 89 89 LYS H H 1 8.58 0.01 . 1 . . . . 89 LYS HN . 15172 1 389 . 1 1 89 89 LYS HA H 1 3.83 0.01 . 1 . . . . 89 LYS HA . 15172 1 390 . 1 1 89 89 LYS CA C 13 59.4 0.1 . 1 . . . . 89 LYS CA . 15172 1 391 . 1 1 89 89 LYS CB C 13 31.8 0.1 . 1 . . . . 89 LYS CB . 15172 1 392 . 1 1 89 89 LYS N N 15 125.9 0.1 . 1 . . . . 89 LYS N . 15172 1 393 . 1 1 90 90 LEU H H 1 8.01 0.01 . 1 . . . . 90 LEU HN . 15172 1 394 . 1 1 90 90 LEU HA H 1 4.17 0.01 . 1 . . . . 90 LEU HA . 15172 1 395 . 1 1 90 90 LEU CA C 13 57.0 0.1 . 1 . . . . 90 LEU CA . 15172 1 396 . 1 1 90 90 LEU CB C 13 40.5 0.1 . 1 . . . . 90 LEU CB . 15172 1 397 . 1 1 90 90 LEU N N 15 117.9 0.1 . 1 . . . . 90 LEU N . 15172 1 398 . 1 1 91 91 ALA H H 1 7.66 0.01 . 1 . . . . 91 ALA HN . 15172 1 399 . 1 1 91 91 ALA HA H 1 4.17 0.01 . 1 . . . . 91 ALA HA . 15172 1 400 . 1 1 91 91 ALA CA C 13 54.2 0.1 . 1 . . . . 91 ALA CA . 15172 1 401 . 1 1 91 91 ALA CB C 13 17.8 0.1 . 1 . . . . 91 ALA CB . 15172 1 402 . 1 1 91 91 ALA N N 15 122.5 0.1 . 1 . . . . 91 ALA N . 15172 1 403 . 1 1 92 92 VAL H H 1 8.15 0.01 . 1 . . . . 92 VAL HN . 15172 1 404 . 1 1 92 92 VAL HA H 1 3.83 0.01 . 1 . . . . 92 VAL HA . 15172 1 405 . 1 1 92 92 VAL CA C 13 65.6 0.1 . 1 . . . . 92 VAL CA . 15172 1 406 . 1 1 92 92 VAL CB C 13 30.8 0.1 . 1 . . . . 92 VAL CB . 15172 1 407 . 1 1 92 92 VAL N N 15 119.7 0.1 . 1 . . . . 92 VAL N . 15172 1 408 . 1 1 93 93 VAL H H 1 7.97 0.01 . 1 . . . . 93 VAL HN . 15172 1 409 . 1 1 93 93 VAL HA H 1 3.79 0.01 . 1 . . . . 93 VAL HA . 15172 1 410 . 1 1 93 93 VAL CA C 13 66.2 0.1 . 1 . . . . 93 VAL CA . 15172 1 411 . 1 1 93 93 VAL CB C 13 31.2 0.1 . 1 . . . . 93 VAL CB . 15172 1 412 . 1 1 93 93 VAL N N 15 120.2 0.1 . 1 . . . . 93 VAL N . 15172 1 413 . 1 1 94 94 ARG H H 1 7.60 0.01 . 1 . . . . 94 ARG HN . 15172 1 414 . 1 1 94 94 ARG HA H 1 4.23 0.01 . 1 . . . . 94 ARG HA . 15172 1 415 . 1 1 94 94 ARG CA C 13 59.4 0.1 . 1 . . . . 94 ARG CA . 15172 1 416 . 1 1 94 94 ARG CB C 13 29.4 0.1 . 1 . . . . 94 ARG CB . 15172 1 417 . 1 1 94 94 ARG N N 15 119.8 0.1 . 1 . . . . 94 ARG N . 15172 1 418 . 1 1 95 95 THR H H 1 8.23 0.01 . 1 . . . . 95 THR HN . 15172 1 419 . 1 1 95 95 THR HA H 1 4.06 0.01 . 1 . . . . 95 THR HA . 15172 1 420 . 1 1 95 95 THR CA C 13 66.0 0.1 . 1 . . . . 95 THR CA . 15172 1 421 . 1 1 95 95 THR CB C 13 67.8 0.1 . 1 . . . . 95 THR CB . 15172 1 422 . 1 1 95 95 THR N N 15 117.9 0.1 . 1 . . . . 95 THR N . 15172 1 423 . 1 1 96 96 TYR H H 1 9.07 0.01 . 1 . . . . 96 TYR HN . 15172 1 424 . 1 1 96 96 TYR HA H 1 3.94 0.01 . 1 . . . . 96 TYR HA . 15172 1 425 . 1 1 96 96 TYR CA C 13 61.4 0.1 . 1 . . . . 96 TYR CA . 15172 1 426 . 1 1 96 96 TYR CB C 13 37.6 0.1 . 1 . . . . 96 TYR CB . 15172 1 427 . 1 1 96 96 TYR N N 15 124.1 0.1 . 1 . . . . 96 TYR N . 15172 1 428 . 1 1 97 97 ASN H H 1 9.04 0.01 . 1 . . . . 97 ASN HN . 15172 1 429 . 1 1 97 97 ASN HA H 1 4.29 0.01 . 1 . . . . 97 ASN HA . 15172 1 430 . 1 1 97 97 ASN HD21 H 1 7.62 0.01 . 2 . . . . 97 ASN HD21 . 15172 1 431 . 1 1 97 97 ASN HD22 H 1 6.65 0.01 . 2 . . . . 97 ASN HD22 . 15172 1 432 . 1 1 97 97 ASN CA C 13 55.6 0.1 . 1 . . . . 97 ASN CA . 15172 1 433 . 1 1 97 97 ASN CB C 13 37.0 0.1 . 1 . . . . 97 ASN CB . 15172 1 434 . 1 1 97 97 ASN N N 15 118.8 0.1 . 1 . . . . 97 ASN N . 15172 1 435 . 1 1 97 97 ASN ND2 N 15 112.2 0.1 . 1 . . . . 97 ASN ND2 . 15172 1 436 . 1 1 98 98 ASP H H 1 8.32 0.01 . 1 . . . . 98 ASP HN . 15172 1 437 . 1 1 98 98 ASP HA H 1 4.46 0.01 . 1 . . . . 98 ASP HA . 15172 1 438 . 1 1 98 98 ASP CA C 13 57.4 0.1 . 1 . . . . 98 ASP CA . 15172 1 439 . 1 1 98 98 ASP CB C 13 40.7 0.1 . 1 . . . . 98 ASP CB . 15172 1 440 . 1 1 98 98 ASP N N 15 122.6 0.1 . 1 . . . . 98 ASP N . 15172 1 441 . 1 1 99 99 PHE H H 1 8.03 0.01 . 1 . . . . 99 PHE HN . 15172 1 442 . 1 1 99 99 PHE HA H 1 4.32 0.01 . 1 . . . . 99 PHE HA . 15172 1 443 . 1 1 99 99 PHE CA C 13 60.1 0.1 . 1 . . . . 99 PHE CA . 15172 1 444 . 1 1 99 99 PHE CB C 13 38.0 0.1 . 1 . . . . 99 PHE CB . 15172 1 445 . 1 1 99 99 PHE N N 15 121.7 0.1 . 1 . . . . 99 PHE N . 15172 1 446 . 1 1 100 100 ILE H H 1 8.18 0.01 . 1 . . . . 100 ILE HN . 15172 1 447 . 1 1 100 100 ILE HA H 1 3.13 0.01 . 1 . . . . 100 ILE HA . 15172 1 448 . 1 1 100 100 ILE CA C 13 60.5 0.1 . 1 . . . . 100 ILE CA . 15172 1 449 . 1 1 100 100 ILE N N 15 117.7 0.1 . 1 . . . . 100 ILE N . 15172 1 450 . 1 1 101 101 GLU H H 1 8.33 0.01 . 1 . . . . 101 GLU HN . 15172 1 451 . 1 1 101 101 GLU HA H 1 3.97 0.01 . 1 . . . . 101 GLU HA . 15172 1 452 . 1 1 101 101 GLU CA C 13 58.9 0.1 . 1 . . . . 101 GLU CA . 15172 1 453 . 1 1 101 101 GLU CB C 13 29.0 0.1 . 1 . . . . 101 GLU CB . 15172 1 454 . 1 1 101 101 GLU N N 15 125.7 0.1 . 1 . . . . 101 GLU N . 15172 1 455 . 1 1 102 102 LYS H H 1 8.24 0.01 . 1 . . . . 102 LYS HN . 15172 1 456 . 1 1 102 102 LYS HA H 1 4.09 0.01 . 1 . . . . 102 LYS HA . 15172 1 457 . 1 1 102 102 LYS CA C 13 57.9 0.1 . 1 . . . . 102 LYS CA . 15172 1 458 . 1 1 102 102 LYS CB C 13 32.6 0.1 . 1 . . . . 102 LYS CB . 15172 1 459 . 1 1 102 102 LYS N N 15 120.4 0.1 . 1 . . . . 102 LYS N . 15172 1 460 . 1 1 103 103 LEU H H 1 7.85 0.01 . 1 . . . . 103 LEU HN . 15172 1 461 . 1 1 103 103 LEU HA H 1 4.12 0.01 . 1 . . . . 103 LEU HA . 15172 1 462 . 1 1 103 103 LEU CA C 13 56.6 0.1 . 1 . . . . 103 LEU CA . 15172 1 463 . 1 1 103 103 LEU CB C 13 43.0 0.1 . 1 . . . . 103 LEU CB . 15172 1 464 . 1 1 103 103 LEU N N 15 116.8 0.1 . 1 . . . . 103 LEU N . 15172 1 465 . 1 1 104 104 THR H H 1 7.87 0.01 . 1 . . . . 104 THR HN . 15172 1 466 . 1 1 104 104 THR HA H 1 4.45 0.01 . 1 . . . . 104 THR HA . 15172 1 467 . 1 1 104 104 THR CA C 13 61.6 0.1 . 1 . . . . 104 THR CA . 15172 1 468 . 1 1 104 104 THR CB C 13 71.4 0.1 . 1 . . . . 104 THR CB . 15172 1 469 . 1 1 104 104 THR N N 15 103.6 0.1 . 1 . . . . 104 THR N . 15172 1 470 . 1 1 105 105 GLY H H 1 7.51 0.01 . 1 . . . . 105 GLY HN . 15172 1 471 . 1 1 105 105 GLY HA2 H 1 2.50 0.01 . 2 . . . . 105 GLY HA1 . 15172 1 472 . 1 1 105 105 GLY HA3 H 1 2.76 0.01 . 2 . . . . 105 GLY HA2 . 15172 1 473 . 1 1 105 105 GLY CA C 13 44.0 0.1 . 1 . . . . 105 GLY CA . 15172 1 474 . 1 1 105 105 GLY N N 15 110.1 0.1 . 1 . . . . 105 GLY N . 15172 1 475 . 1 1 106 106 TYR H H 1 7.18 0.01 . 1 . . . . 106 TYR HN . 15172 1 476 . 1 1 106 106 TYR HA H 1 5.07 0.01 . 1 . . . . 106 TYR HA . 15172 1 477 . 1 1 106 106 TYR CA C 13 55.8 0.1 . 1 . . . . 106 TYR CA . 15172 1 478 . 1 1 106 106 TYR CB C 13 40.2 0.1 . 1 . . . . 106 TYR CB . 15172 1 479 . 1 1 106 106 TYR N N 15 116.9 0.1 . 1 . . . . 106 TYR N . 15172 1 480 . 1 1 107 107 SER H H 1 9.07 0.01 . 1 . . . . 107 SER HN . 15172 1 481 . 1 1 107 107 SER HA H 1 4.38 0.01 . 1 . . . . 107 SER HA . 15172 1 482 . 1 1 107 107 SER CA C 13 55.7 0.1 . 1 . . . . 107 SER CA . 15172 1 483 . 1 1 107 107 SER CB C 13 65.3 0.1 . 1 . . . . 107 SER CB . 15172 1 484 . 1 1 107 107 SER N N 15 117.6 0.1 . 1 . . . . 107 SER N . 15172 1 485 . 1 1 108 108 ALA H H 1 9.00 0.01 . 1 . . . . 108 ALA HN . 15172 1 486 . 1 1 108 108 ALA HA H 1 4.00 0.01 . 1 . . . . 108 ALA HA . 15172 1 487 . 1 1 108 108 ALA CA C 13 55.0 0.1 . 1 . . . . 108 ALA CA . 15172 1 488 . 1 1 108 108 ALA CB C 13 17.3 0.1 . 1 . . . . 108 ALA CB . 15172 1 489 . 1 1 108 108 ALA N N 15 124.4 0.1 . 1 . . . . 108 ALA N . 15172 1 490 . 1 1 109 109 LYS H H 1 8.30 0.01 . 1 . . . . 109 LYS HN . 15172 1 491 . 1 1 109 109 LYS HA H 1 4.05 0.01 . 1 . . . . 109 LYS HA . 15172 1 492 . 1 1 109 109 LYS CA C 13 58.8 0.1 . 1 . . . . 109 LYS CA . 15172 1 493 . 1 1 109 109 LYS CB C 13 32.0 0.1 . 1 . . . . 109 LYS CB . 15172 1 494 . 1 1 109 109 LYS N N 15 118.5 0.1 . 1 . . . . 109 LYS N . 15172 1 495 . 1 1 110 110 GLU H H 1 7.74 0.01 . 1 . . . . 110 GLU HN . 15172 1 496 . 1 1 110 110 GLU HA H 1 4.02 0.01 . 1 . . . . 110 GLU HA . 15172 1 497 . 1 1 110 110 GLU CA C 13 58.5 0.1 . 1 . . . . 110 GLU CA . 15172 1 498 . 1 1 110 110 GLU CB C 13 29.9 0.1 . 1 . . . . 110 GLU CB . 15172 1 499 . 1 1 110 110 GLU N N 15 119.8 0.1 . 1 . . . . 110 GLU N . 15172 1 500 . 1 1 111 111 ARG H H 1 8.29 0.01 . 1 . . . . 111 ARG HN . 15172 1 501 . 1 1 111 111 ARG HA H 1 3.90 0.01 . 1 . . . . 111 ARG HA . 15172 1 502 . 1 1 111 111 ARG CA C 13 59.0 0.1 . 1 . . . . 111 ARG CA . 15172 1 503 . 1 1 111 111 ARG CB C 13 29.8 0.1 . 1 . . . . 111 ARG CB . 15172 1 504 . 1 1 111 111 ARG N N 15 118.5 0.1 . 1 . . . . 111 ARG N . 15172 1 505 . 1 1 112 112 LYS H H 1 7.85 0.01 . 1 . . . . 112 LYS HN . 15172 1 506 . 1 1 112 112 LYS HA H 1 4.11 0.01 . 1 . . . . 112 LYS HA . 15172 1 507 . 1 1 112 112 LYS CA C 13 58.3 0.1 . 1 . . . . 112 LYS CA . 15172 1 508 . 1 1 112 112 LYS CB C 13 31.7 0.1 . 1 . . . . 112 LYS CB . 15172 1 509 . 1 1 112 112 LYS N N 15 119.5 0.1 . 1 . . . . 112 LYS N . 15172 1 510 . 1 1 113 113 LYS H H 1 7.53 0.01 . 1 . . . . 113 LYS HN . 15172 1 511 . 1 1 113 113 LYS HA H 1 4.18 0.01 . 1 . . . . 113 LYS HA . 15172 1 512 . 1 1 113 113 LYS CA C 13 57.4 0.1 . 1 . . . . 113 LYS CA . 15172 1 513 . 1 1 113 113 LYS CB C 13 31.9 0.1 . 1 . . . . 113 LYS CB . 15172 1 514 . 1 1 113 113 LYS N N 15 118.6 0.1 . 1 . . . . 113 LYS N . 15172 1 515 . 1 1 114 114 MET H H 1 7.70 0.01 . 1 . . . . 114 MET HN . 15172 1 516 . 1 1 114 114 MET HA H 1 4.30 0.01 . 1 . . . . 114 MET HA . 15172 1 517 . 1 1 114 114 MET CA C 13 56.5 0.1 . 1 . . . . 114 MET CA . 15172 1 518 . 1 1 114 114 MET CB C 13 32.6 0.1 . 1 . . . . 114 MET CB . 15172 1 519 . 1 1 114 114 MET N N 15 117.5 0.1 . 1 . . . . 114 MET N . 15172 1 520 . 1 1 115 115 MET H H 1 7.79 0.01 . 1 . . . . 115 MET HN . 15172 1 521 . 1 1 115 115 MET HA H 1 4.50 0.01 . 1 . . . . 115 MET HA . 15172 1 522 . 1 1 115 115 MET CA C 13 55.4 0.1 . 1 . . . . 115 MET CA . 15172 1 523 . 1 1 115 115 MET CB C 13 32.2 0.1 . 1 . . . . 115 MET CB . 15172 1 524 . 1 1 115 115 MET N N 15 118.4 0.1 . 1 . . . . 115 MET N . 15172 1 525 . 1 1 116 116 THR H H 1 7.88 0.01 . 1 . . . . 116 THR HN . 15172 1 526 . 1 1 116 116 THR HA H 1 4.37 0.01 . 1 . . . . 116 THR HA . 15172 1 527 . 1 1 116 116 THR CA C 13 61.6 0.1 . 1 . . . . 116 THR CA . 15172 1 528 . 1 1 116 116 THR CB C 13 69.3 0.1 . 1 . . . . 116 THR CB . 15172 1 529 . 1 1 116 116 THR N N 15 114.3 0.1 . 1 . . . . 116 THR N . 15172 1 530 . 1 1 117 117 LYS H H 1 8.29 0.01 . 1 . . . . 117 LYS HN . 15172 1 531 . 1 1 117 117 LYS HA H 1 4.37 0.01 . 1 . . . . 117 LYS HA . 15172 1 532 . 1 1 117 117 LYS CA C 13 56.0 0.1 . 1 . . . . 117 LYS CA . 15172 1 533 . 1 1 117 117 LYS CB C 13 32.3 0.1 . 1 . . . . 117 LYS CB . 15172 1 534 . 1 1 117 117 LYS N N 15 123.6 0.1 . 1 . . . . 117 LYS N . 15172 1 535 . 1 1 118 118 ASP H H 1 8.34 0.01 . 1 . . . . 118 ASP HN . 15172 1 536 . 1 1 118 118 ASP HA H 1 4.66 0.01 . 1 . . . . 118 ASP HA . 15172 1 537 . 1 1 118 118 ASP CA C 13 53.9 0.1 . 1 . . . . 118 ASP CA . 15172 1 538 . 1 1 118 118 ASP CB C 13 40.7 0.1 . 1 . . . . 118 ASP CB . 15172 1 539 . 1 1 118 118 ASP N N 15 121.3 0.1 . 1 . . . . 118 ASP N . 15172 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 15172 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; 6 HIS HB2 and HB3 protons are geminal atoms (code 2), but also they have interreesidue ambiguity (code 5), they could be for HIS 5, HIS 6, HIS 7, HIS 8, HIS 9 and HIS 10 10 HIS HB2 and HB3 protons are geminal atoms (code 2), but also they have interreesidue ambiguity (code 5), they could be for HIS 5, HIS 6, HIS 7, HIS 8, HIS 9 and HIS 10 Ambiguity code 5 for 6 HIS HA and 10 HIS HA is right; ambiguity is among HIS 5, HIS 6, HIS 7, HIS 8, HIS 9 and HIS 10. Ambiguity code 5 for 1 MET atoms is right. This is the most likely assignment, but it could be for MET 23, MET 114 or MET 115. ; _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 13 '2D 1H-1H COSY' . . . 15172 2 14 '2D 1H-1H TOCSY' . . . 15172 2 15 '2D 1H-1H NOESY' . . . 15172 2 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 1 $SPARKY . . 15172 2 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 2 2 GLY H H 1 8.33 0.01 . 1 . . . . 2 GLY HN . 15172 2 2 . 1 1 2 2 GLY HA2 H 1 4.07 0.01 . 2 . . . . 2 GLY HA1 . 15172 2 3 . 1 1 2 2 GLY HA3 H 1 3.99 0.01 . 2 . . . . 2 GLY HA2 . 15172 2 4 . 1 1 3 3 THR H H 1 7.97 0.01 . 1 . . . . 3 THR HN . 15172 2 5 . 1 1 3 3 THR HA H 1 4.32 0.01 . 1 . . . . 3 THR HA . 15172 2 6 . 1 1 3 3 THR HB H 1 3.92 0.01 . 1 . . . . 3 THR HB . 15172 2 7 . 1 1 3 3 THR HG21 H 1 1.61 0.01 . 1 . . . . 3 THR HG2 . 15172 2 8 . 1 1 3 3 THR HG22 H 1 1.61 0.01 . 1 . . . . 3 THR HG2 . 15172 2 9 . 1 1 3 3 THR HG23 H 1 1.61 0.01 . 1 . . . . 3 THR HG2 . 15172 2 10 . 1 1 4 4 SER H H 1 8.46 0.01 . 1 . . . . 4 SER HN . 15172 2 11 . 1 1 4 4 SER HA H 1 4.30 0.01 . 1 . . . . 4 SER HA . 15172 2 12 . 1 1 4 4 SER HB2 H 1 3.79 0.01 . 2 . . . . 4 SER HB2 . 15172 2 13 . 1 1 4 4 SER HB3 H 1 3.95 0.01 . 2 . . . . 4 SER HB3 . 15172 2 14 . 1 1 6 6 HIS HA H 1 5.02 0.01 . 5 . . . . 6 HIS HA . 15172 2 15 . 1 1 6 6 HIS HB2 H 1 3.63 0.01 . 5 . . . . 6 HIS HB2 . 15172 2 16 . 1 1 6 6 HIS HB3 H 1 3.78 0.01 . 5 . . . . 6 HIS HB3 . 15172 2 17 . 1 1 10 10 HIS HA H 1 4.66 0.01 . 5 . . . . 10 HIS HA . 15172 2 18 . 1 1 10 10 HIS HB2 H 1 3.09 0.01 . 5 . . . . 10 HIS HB2 . 15172 2 19 . 1 1 10 10 HIS HB3 H 1 3.15 0.01 . 5 . . . . 10 HIS HB3 . 15172 2 20 . 1 1 11 11 SER HA H 1 4.58 0.01 . 1 . . . . 11 SER HA . 15172 2 21 . 1 1 11 11 SER HB2 H 1 3.87 0.01 . 2 . . . . 11 SER HB2 . 15172 2 22 . 1 1 11 11 SER HB3 H 1 3.91 0.01 . 2 . . . . 11 SER HB3 . 15172 2 23 . 1 1 12 12 SER HA H 1 4.51 0.01 . 1 . . . . 12 SER HA . 15172 2 24 . 1 1 12 12 SER HB2 H 1 3.93 0.01 . 2 . . . . 12 SER HB2 . 15172 2 25 . 1 1 12 12 SER HB3 H 1 3.97 0.01 . 2 . . . . 12 SER HB3 . 15172 2 26 . 1 1 13 13 GLY H H 1 8.55 0.01 . 1 . . . . 13 GLY HN . 15172 2 27 . 1 1 13 13 GLY HA2 H 1 4.00 0.01 . 2 . . . . 13 GLY HA1 . 15172 2 28 . 1 1 13 13 GLY HA3 H 1 4.07 0.01 . 2 . . . . 13 GLY HA2 . 15172 2 29 . 1 1 14 14 ARG H H 1 8.24 0.01 . 1 . . . . 14 ARG HN . 15172 2 30 . 1 1 14 14 ARG HA H 1 4.35 0.01 . 1 . . . . 14 ARG HA . 15172 2 31 . 1 1 14 14 ARG HB2 H 1 1.77 0.01 . 2 . . . . 14 ARG HB2 . 15172 2 32 . 1 1 14 14 ARG HB3 H 1 1.91 0.01 . 2 . . . . 14 ARG HB3 . 15172 2 33 . 1 1 14 14 ARG HG2 H 1 1.61 0.01 . 1 . . . . 14 ARG HG2 . 15172 2 34 . 1 1 14 14 ARG HG3 H 1 1.61 0.01 . 1 . . . . 14 ARG HG3 . 15172 2 35 . 1 1 14 14 ARG HD2 H 1 3.19 0.01 . 1 . . . . 14 ARG HD2 . 15172 2 36 . 1 1 14 14 ARG HD3 H 1 3.19 0.01 . 1 . . . . 14 ARG HD3 . 15172 2 37 . 1 1 15 15 GLU H H 1 8.68 0.01 . 1 . . . . 15 GLU HN . 15172 2 38 . 1 1 15 15 GLU HA H 1 4.24 0.01 . 1 . . . . 15 GLU HA . 15172 2 39 . 1 1 15 15 GLU HB2 H 1 1.98 0.01 . 2 . . . . 15 GLU HB2 . 15172 2 40 . 1 1 15 15 GLU HB3 H 1 2.07 0.01 . 2 . . . . 15 GLU HB3 . 15172 2 41 . 1 1 15 15 GLU HG2 H 1 2.30 0.01 . 1 . . . . 15 GLU HG2 . 15172 2 42 . 1 1 15 15 GLU HG3 H 1 2.30 0.01 . 1 . . . . 15 GLU HG3 . 15172 2 43 . 1 1 16 16 ASN H H 1 8.44 0.01 . 1 . . . . 16 ASN HN . 15172 2 44 . 1 1 16 16 ASN HA H 1 4.69 0.01 . 1 . . . . 16 ASN HA . 15172 2 45 . 1 1 16 16 ASN HB2 H 1 2.73 0.01 . 2 . . . . 16 ASN HB2 . 15172 2 46 . 1 1 16 16 ASN HB3 H 1 2.82 0.01 . 2 . . . . 16 ASN HB3 . 15172 2 47 . 1 1 16 16 ASN HD21 H 1 7.61 0.01 . 2 . . . . 16 ASN HD21 . 15172 2 48 . 1 1 16 16 ASN HD22 H 1 6.94 0.01 . 2 . . . . 16 ASN HD22 . 15172 2 49 . 1 1 17 17 LEU H H 1 8.12 0.01 . 1 . . . . 17 LEU HN . 15172 2 50 . 1 1 17 17 LEU HA H 1 4.24 0.01 . 1 . . . . 17 LEU HA . 15172 2 51 . 1 1 17 17 LEU HB2 H 1 1.49 0.01 . 1 . . . . 17 LEU HB2 . 15172 2 52 . 1 1 17 17 LEU HB3 H 1 1.49 0.01 . 1 . . . . 17 LEU HB3 . 15172 2 53 . 1 1 17 17 LEU HG H 1 1.37 0.01 . 1 . . . . 17 LEU HG . 15172 2 54 . 1 1 17 17 LEU HD11 H 1 0.80 0.01 . 2 . . . . 17 LEU HD1 . 15172 2 55 . 1 1 17 17 LEU HD12 H 1 0.80 0.01 . 2 . . . . 17 LEU HD1 . 15172 2 56 . 1 1 17 17 LEU HD13 H 1 0.80 0.01 . 2 . . . . 17 LEU HD1 . 15172 2 57 . 1 1 17 17 LEU HD21 H 1 0.86 0.01 . 2 . . . . 17 LEU HD2 . 15172 2 58 . 1 1 17 17 LEU HD22 H 1 0.86 0.01 . 2 . . . . 17 LEU HD2 . 15172 2 59 . 1 1 17 17 LEU HD23 H 1 0.86 0.01 . 2 . . . . 17 LEU HD2 . 15172 2 60 . 1 1 18 18 TYR H H 1 8.14 0.01 . 1 . . . . 18 TYR HN . 15172 2 61 . 1 1 18 18 TYR HA H 1 4.51 0.01 . 1 . . . . 18 TYR HA . 15172 2 62 . 1 1 18 18 TYR HB2 H 1 2.90 0.01 . 2 . . . . 18 TYR HB2 . 15172 2 63 . 1 1 18 18 TYR HB3 H 1 2.99 0.01 . 2 . . . . 18 TYR HB3 . 15172 2 64 . 1 1 18 18 TYR HD1 H 1 7.03 0.01 . 1 . . . . 18 TYR HD1 . 15172 2 65 . 1 1 18 18 TYR HD2 H 1 7.03 0.01 . 1 . . . . 18 TYR HD2 . 15172 2 66 . 1 1 18 18 TYR HE1 H 1 6.79 0.01 . 1 . . . . 18 TYR HE1 . 15172 2 67 . 1 1 18 18 TYR HE2 H 1 6.79 0.01 . 1 . . . . 18 TYR HE2 . 15172 2 68 . 1 1 19 19 PHE H H 1 8.07 0.01 . 1 . . . . 19 PHE HN . 15172 2 69 . 1 1 19 19 PHE HA H 1 4.51 0.01 . 1 . . . . 19 PHE HA . 15172 2 70 . 1 1 19 19 PHE HB2 H 1 3.03 0.01 . 1 . . . . 19 PHE HB2 . 15172 2 71 . 1 1 19 19 PHE HB3 H 1 3.03 0.01 . 1 . . . . 19 PHE HB3 . 15172 2 72 . 1 1 19 19 PHE HD1 H 1 7.18 0.01 . 1 . . . . 19 PHE HD1 . 15172 2 73 . 1 1 19 19 PHE HD2 H 1 7.18 0.01 . 1 . . . . 19 PHE HD2 . 15172 2 74 . 1 1 19 19 PHE HE1 H 1 7.25 0.01 . 1 . . . . 19 PHE HE1 . 15172 2 75 . 1 1 19 19 PHE HE2 H 1 7.25 0.01 . 1 . . . . 19 PHE HE2 . 15172 2 76 . 1 1 20 20 GLN H H 1 8.27 0.01 . 1 . . . . 20 GLN HN . 15172 2 77 . 1 1 20 20 GLN HA H 1 4.25 0.01 . 1 . . . . 20 GLN HA . 15172 2 78 . 1 1 20 20 GLN HG2 H 1 2.29 0.01 . 1 . . . . 20 GLN HG2 . 15172 2 79 . 1 1 20 20 GLN HG3 H 1 2.29 0.01 . 1 . . . . 20 GLN HG3 . 15172 2 80 . 1 1 20 20 GLN HE21 H 1 7.52 0.01 . 2 . . . . 20 GLN HE21 . 15172 2 81 . 1 1 20 20 GLN HE22 H 1 6.86 0.01 . 2 . . . . 20 GLN HE22 . 15172 2 82 . 1 1 21 21 GLY H H 1 7.97 0.01 . 1 . . . . 21 GLY HN . 15172 2 83 . 1 1 21 21 GLY HA2 H 1 3.91 0.01 . 1 . . . . 21 GLY HA1 . 15172 2 84 . 1 1 21 21 GLY HA3 H 1 3.91 0.01 . 1 . . . . 21 GLY HA2 . 15172 2 85 . 1 1 22 22 HIS H H 1 8.15 0.01 . 1 . . . . 22 HIS HN . 15172 2 86 . 1 1 22 22 HIS HA H 1 4.73 0.01 . 1 . . . . 22 HIS HA . 15172 2 87 . 1 1 22 22 HIS HB2 H 1 3.07 0.01 . 2 . . . . 22 HIS HB2 . 15172 2 88 . 1 1 22 22 HIS HB3 H 1 3.22 0.01 . 2 . . . . 22 HIS HB3 . 15172 2 89 . 1 1 22 22 HIS HD2 H 1 7.06 0.01 . 1 . . . . 22 HIS HD2 . 15172 2 90 . 1 1 23 23 MET H H 1 8.26 0.01 . 1 . . . . 23 MET HN . 15172 2 91 . 1 1 23 23 MET HA H 1 4.73 0.01 . 1 . . . . 23 MET HA . 15172 2 92 . 1 1 23 23 MET HB2 H 1 1.95 0.01 . 1 . . . . 23 MET HB2 . 15172 2 93 . 1 1 23 23 MET HB3 H 1 1.95 0.01 . 1 . . . . 23 MET HB3 . 15172 2 94 . 1 1 23 23 MET HG2 H 1 2.41 0.01 . 2 . . . . 23 MET HG2 . 15172 2 95 . 1 1 23 23 MET HG3 H 1 2.49 0.01 . 2 . . . . 23 MET HG3 . 15172 2 96 . 1 1 24 24 ARG H H 1 8.96 0.01 . 1 . . . . 24 ARG HN . 15172 2 97 . 1 1 24 24 ARG HA H 1 4.54 0.01 . 1 . . . . 24 ARG HA . 15172 2 98 . 1 1 24 24 ARG HB2 H 1 1.69 0.01 . 2 . . . . 24 ARG HB2 . 15172 2 99 . 1 1 24 24 ARG HB3 H 1 1.78 0.01 . 2 . . . . 24 ARG HB3 . 15172 2 100 . 1 1 24 24 ARG HG2 H 1 1.60 0.01 . 1 . . . . 24 ARG HG2 . 15172 2 101 . 1 1 24 24 ARG HG3 H 1 1.60 0.01 . 1 . . . . 24 ARG HG3 . 15172 2 102 . 1 1 25 25 GLU H H 1 8.24 0.01 . 1 . . . . 25 GLU HN . 15172 2 103 . 1 1 25 25 GLU HA H 1 5.08 0.01 . 1 . . . . 25 GLU HA . 15172 2 104 . 1 1 25 25 GLU HB2 H 1 1.84 0.01 . 1 . . . . 25 GLU HB2 . 15172 2 105 . 1 1 25 25 GLU HB3 H 1 1.84 0.01 . 1 . . . . 25 GLU HB3 . 15172 2 106 . 1 1 25 25 GLU HG2 H 1 2.03 0.01 . 2 . . . . 25 GLU HG2 . 15172 2 107 . 1 1 25 25 GLU HG3 H 1 2.14 0.01 . 2 . . . . 25 GLU HG3 . 15172 2 108 . 1 1 26 26 TYR H H 1 9.09 0.01 . 1 . . . . 26 TYR HN . 15172 2 109 . 1 1 26 26 TYR HA H 1 5.07 0.01 . 1 . . . . 26 TYR HA . 15172 2 110 . 1 1 26 26 TYR HB2 H 1 2.60 0.01 . 2 . . . . 26 TYR HB2 . 15172 2 111 . 1 1 26 26 TYR HB3 H 1 3.38 0.01 . 2 . . . . 26 TYR HB3 . 15172 2 112 . 1 1 26 26 TYR HD1 H 1 6.99 0.01 . 1 . . . . 26 TYR HD1 . 15172 2 113 . 1 1 26 26 TYR HD2 H 1 6.99 0.01 . 1 . . . . 26 TYR HD2 . 15172 2 114 . 1 1 26 26 TYR HE1 H 1 6.73 0.01 . 1 . . . . 26 TYR HE1 . 15172 2 115 . 1 1 26 26 TYR HE2 H 1 6.73 0.01 . 1 . . . . 26 TYR HE2 . 15172 2 116 . 1 1 27 27 PRO HA H 1 4.73 0.01 . 1 . . . . 27 PRO HA . 15172 2 117 . 1 1 27 27 PRO HB2 H 1 1.81 0.01 . 2 . . . . 27 PRO HB2 . 15172 2 118 . 1 1 27 27 PRO HB3 H 1 2.37 0.01 . 2 . . . . 27 PRO HB3 . 15172 2 119 . 1 1 27 27 PRO HG2 H 1 1.97 0.01 . 1 . . . . 27 PRO HG2 . 15172 2 120 . 1 1 27 27 PRO HG3 H 1 1.97 0.01 . 1 . . . . 27 PRO HG3 . 15172 2 121 . 1 1 27 27 PRO HD2 H 1 3.79 0.01 . 1 . . . . 27 PRO HD2 . 15172 2 122 . 1 1 27 27 PRO HD3 H 1 3.79 0.01 . 1 . . . . 27 PRO HD3 . 15172 2 123 . 1 1 28 28 VAL H H 1 7.76 0.01 . 1 . . . . 28 VAL HN . 15172 2 124 . 1 1 28 28 VAL HA H 1 4.51 0.01 . 1 . . . . 28 VAL HA . 15172 2 125 . 1 1 28 28 VAL HB H 1 1.54 0.01 . 1 . . . . 28 VAL HB . 15172 2 126 . 1 1 28 28 VAL HG11 H 1 0.95 0.01 . 2 . . . . 28 VAL HG1 . 15172 2 127 . 1 1 28 28 VAL HG12 H 1 0.95 0.01 . 2 . . . . 28 VAL HG1 . 15172 2 128 . 1 1 28 28 VAL HG13 H 1 0.95 0.01 . 2 . . . . 28 VAL HG1 . 15172 2 129 . 1 1 28 28 VAL HG21 H 1 0.86 0.01 . 2 . . . . 28 VAL HG2 . 15172 2 130 . 1 1 28 28 VAL HG22 H 1 0.86 0.01 . 2 . . . . 28 VAL HG2 . 15172 2 131 . 1 1 28 28 VAL HG23 H 1 0.86 0.01 . 2 . . . . 28 VAL HG2 . 15172 2 132 . 1 1 29 29 LYS H H 1 8.65 0.01 . 1 . . . . 29 LYS HN . 15172 2 133 . 1 1 29 29 LYS HA H 1 3.86 0.01 . 1 . . . . 29 LYS HA . 15172 2 134 . 1 1 29 29 LYS HB2 H 1 0.41 0.01 . 2 . . . . 29 LYS HB2 . 15172 2 135 . 1 1 29 29 LYS HB3 H 1 1.27 0.01 . 2 . . . . 29 LYS HB3 . 15172 2 136 . 1 1 29 29 LYS HG2 H 1 1.01 0.01 . 2 . . . . 29 LYS HG2 . 15172 2 137 . 1 1 29 29 LYS HG3 H 1 1.59 0.01 . 2 . . . . 29 LYS HG3 . 15172 2 138 . 1 1 29 29 LYS HD2 H 1 1.09 0.01 . 2 . . . . 29 LYS HD2 . 15172 2 139 . 1 1 29 29 LYS HD3 H 1 1.44 0.01 . 2 . . . . 29 LYS HD3 . 15172 2 140 . 1 1 29 29 LYS HE2 H 1 2.42 0.01 . 2 . . . . 29 LYS HE2 . 15172 2 141 . 1 1 29 29 LYS HE3 H 1 2.71 0.01 . 2 . . . . 29 LYS HE3 . 15172 2 142 . 1 1 30 30 LYS H H 1 8.35 0.01 . 1 . . . . 30 LYS HN . 15172 2 143 . 1 1 30 30 LYS HA H 1 4.15 0.01 . 1 . . . . 30 LYS HA . 15172 2 144 . 1 1 30 30 LYS HE2 H 1 3.04 0.01 . 1 . . . . 30 LYS HE2 . 15172 2 145 . 1 1 30 30 LYS HE3 H 1 3.04 0.01 . 1 . . . . 30 LYS HE3 . 15172 2 146 . 1 1 31 31 GLY H H 1 8.89 0.01 . 1 . . . . 31 GLY HN . 15172 2 147 . 1 1 31 31 GLY HA2 H 1 4.39 0.01 . 2 . . . . 31 GLY HA1 . 15172 2 148 . 1 1 31 31 GLY HA3 H 1 3.61 0.01 . 2 . . . . 31 GLY HA2 . 15172 2 149 . 1 1 32 32 PHE H H 1 8.50 0.01 . 1 . . . . 32 PHE HN . 15172 2 150 . 1 1 32 32 PHE HA H 1 4.51 0.01 . 1 . . . . 32 PHE HA . 15172 2 151 . 1 1 32 32 PHE HB2 H 1 2.89 0.01 . 2 . . . . 32 PHE HB2 . 15172 2 152 . 1 1 32 32 PHE HB3 H 1 3.46 0.01 . 2 . . . . 32 PHE HB3 . 15172 2 153 . 1 1 32 32 PHE HD1 H 1 7.05 0.01 . 1 . . . . 32 PHE HD1 . 15172 2 154 . 1 1 32 32 PHE HD2 H 1 7.05 0.01 . 1 . . . . 32 PHE HD2 . 15172 2 155 . 1 1 32 32 PHE HE1 H 1 7.29 0.01 . 1 . . . . 32 PHE HE1 . 15172 2 156 . 1 1 32 32 PHE HE2 H 1 7.29 0.01 . 1 . . . . 32 PHE HE2 . 15172 2 157 . 1 1 32 32 PHE HZ H 1 7.33 0.01 . 1 . . . . 32 PHE HZ . 15172 2 158 . 1 1 33 33 PRO HA H 1 4.48 0.01 . 1 . . . . 33 PRO HA . 15172 2 159 . 1 1 33 33 PRO HB2 H 1 1.97 0.01 . 2 . . . . 33 PRO HB2 . 15172 2 160 . 1 1 33 33 PRO HB3 H 1 2.14 0.01 . 2 . . . . 33 PRO HB3 . 15172 2 161 . 1 1 33 33 PRO HG2 H 1 2.13 0.01 . 1 . . . . 33 PRO HG2 . 15172 2 162 . 1 1 33 33 PRO HG3 H 1 2.13 0.01 . 1 . . . . 33 PRO HG3 . 15172 2 163 . 1 1 33 33 PRO HD2 H 1 3.70 0.01 . 2 . . . . 33 PRO HD2 . 15172 2 164 . 1 1 33 33 PRO HD3 H 1 4.12 0.01 . 2 . . . . 33 PRO HD3 . 15172 2 165 . 1 1 34 34 THR H H 1 8.32 0.01 . 1 . . . . 34 THR HN . 15172 2 166 . 1 1 34 34 THR HA H 1 4.57 0.01 . 1 . . . . 34 THR HA . 15172 2 167 . 1 1 34 34 THR HB H 1 4.67 0.01 . 1 . . . . 34 THR HB . 15172 2 168 . 1 1 34 34 THR HG21 H 1 1.16 0.01 . 1 . . . . 34 THR HG2 . 15172 2 169 . 1 1 34 34 THR HG22 H 1 1.16 0.01 . 1 . . . . 34 THR HG2 . 15172 2 170 . 1 1 34 34 THR HG23 H 1 1.16 0.01 . 1 . . . . 34 THR HG2 . 15172 2 171 . 1 1 35 35 ASP H H 1 7.64 0.01 . 1 . . . . 35 ASP HN . 15172 2 172 . 1 1 35 35 ASP HA H 1 5.00 0.01 . 1 . . . . 35 ASP HA . 15172 2 173 . 1 1 35 35 ASP HB2 H 1 2.80 0.01 . 2 . . . . 35 ASP HB2 . 15172 2 174 . 1 1 35 35 ASP HB3 H 1 3.05 0.01 . 2 . . . . 35 ASP HB3 . 15172 2 175 . 1 1 36 36 TYR H H 1 8.70 0.01 . 1 . . . . 36 TYR HN . 15172 2 176 . 1 1 36 36 TYR HA H 1 3.84 0.01 . 1 . . . . 36 TYR HA . 15172 2 177 . 1 1 36 36 TYR HB2 H 1 3.08 0.01 . 2 . . . . 36 TYR HB2 . 15172 2 178 . 1 1 36 36 TYR HB3 H 1 3.17 0.01 . 2 . . . . 36 TYR HB3 . 15172 2 179 . 1 1 36 36 TYR HD1 H 1 7.28 0.01 . 1 . . . . 36 TYR HD1 . 15172 2 180 . 1 1 36 36 TYR HD2 H 1 7.28 0.01 . 1 . . . . 36 TYR HD2 . 15172 2 181 . 1 1 36 36 TYR HE1 H 1 6.87 0.01 . 1 . . . . 36 TYR HE1 . 15172 2 182 . 1 1 36 36 TYR HE2 H 1 6.87 0.01 . 1 . . . . 36 TYR HE2 . 15172 2 183 . 1 1 37 37 ASP H H 1 8.71 0.01 . 1 . . . . 37 ASP HN . 15172 2 184 . 1 1 37 37 ASP HA H 1 4.43 0.01 . 1 . . . . 37 ASP HA . 15172 2 185 . 1 1 37 37 ASP HB2 H 1 2.72 0.01 . 2 . . . . 37 ASP HB2 . 15172 2 186 . 1 1 37 37 ASP HB3 H 1 2.80 0.01 . 2 . . . . 37 ASP HB3 . 15172 2 187 . 1 1 38 38 SER H H 1 8.31 0.01 . 1 . . . . 38 SER HN . 15172 2 188 . 1 1 38 38 SER HA H 1 4.23 0.01 . 1 . . . . 38 SER HA . 15172 2 189 . 1 1 38 38 SER HB2 H 1 3.85 0.01 . 2 . . . . 38 SER HB2 . 15172 2 190 . 1 1 38 38 SER HB3 H 1 3.90 0.01 . 2 . . . . 38 SER HB3 . 15172 2 191 . 1 1 39 39 ILE H H 1 8.41 0.01 . 1 . . . . 39 ILE HN . 15172 2 192 . 1 1 39 39 ILE HA H 1 3.57 0.01 . 1 . . . . 39 ILE HA . 15172 2 193 . 1 1 39 39 ILE HB H 1 1.72 0.01 . 1 . . . . 39 ILE HB . 15172 2 194 . 1 1 39 39 ILE HG12 H 1 0.94 0.01 . 2 . . . . 39 ILE HG12 . 15172 2 195 . 1 1 39 39 ILE HG13 H 1 1.59 0.01 . 2 . . . . 39 ILE HG13 . 15172 2 196 . 1 1 39 39 ILE HG21 H 1 0.81 0.01 . 1 . . . . 39 ILE HG2 . 15172 2 197 . 1 1 39 39 ILE HG22 H 1 0.81 0.01 . 1 . . . . 39 ILE HG2 . 15172 2 198 . 1 1 39 39 ILE HG23 H 1 0.81 0.01 . 1 . . . . 39 ILE HG2 . 15172 2 199 . 1 1 39 39 ILE HD11 H 1 0.53 0.01 . 1 . . . . 39 ILE HD1 . 15172 2 200 . 1 1 39 39 ILE HD12 H 1 0.53 0.01 . 1 . . . . 39 ILE HD1 . 15172 2 201 . 1 1 39 39 ILE HD13 H 1 0.53 0.01 . 1 . . . . 39 ILE HD1 . 15172 2 202 . 1 1 40 40 LYS H H 1 8.11 0.01 . 1 . . . . 40 LYS HN . 15172 2 203 . 1 1 40 40 LYS HA H 1 3.81 0.01 . 1 . . . . 40 LYS HA . 15172 2 204 . 1 1 40 40 LYS HB2 H 1 1.89 0.01 . 2 . . . . 40 LYS HB2 . 15172 2 205 . 1 1 40 40 LYS HB3 H 1 1.97 0.01 . 2 . . . . 40 LYS HB3 . 15172 2 206 . 1 1 40 40 LYS HG2 H 1 1.35 0.01 . 1 . . . . 40 LYS HG2 . 15172 2 207 . 1 1 40 40 LYS HG3 H 1 1.35 0.01 . 1 . . . . 40 LYS HG3 . 15172 2 208 . 1 1 40 40 LYS HD2 H 1 1.72 0.01 . 1 . . . . 40 LYS HD2 . 15172 2 209 . 1 1 40 40 LYS HD3 H 1 1.72 0.01 . 1 . . . . 40 LYS HD3 . 15172 2 210 . 1 1 41 41 ARG H H 1 8.03 0.01 . 1 . . . . 41 ARG HN . 15172 2 211 . 1 1 41 41 ARG HA H 1 4.07 0.01 . 1 . . . . 41 ARG HA . 15172 2 212 . 1 1 41 41 ARG HB2 H 1 1.82 0.01 . 2 . . . . 41 ARG HB2 . 15172 2 213 . 1 1 41 41 ARG HB3 H 1 1.93 0.01 . 2 . . . . 41 ARG HB3 . 15172 2 214 . 1 1 41 41 ARG HG2 H 1 1.63 0.01 . 2 . . . . 41 ARG HG2 . 15172 2 215 . 1 1 41 41 ARG HG3 H 1 1.82 0.01 . 2 . . . . 41 ARG HG3 . 15172 2 216 . 1 1 41 41 ARG HD2 H 1 3.25 0.01 . 2 . . . . 41 ARG HD2 . 15172 2 217 . 1 1 41 41 ARG HD3 H 1 3.28 0.01 . 2 . . . . 41 ARG HD3 . 15172 2 218 . 1 1 41 41 ARG HE H 1 7.45 0.01 . 1 . . . . 41 ARG HE . 15172 2 219 . 1 1 42 42 LYS H H 1 8.00 0.01 . 1 . . . . 42 LYS HN . 15172 2 220 . 1 1 42 42 LYS HA H 1 4.22 0.01 . 1 . . . . 42 LYS HA . 15172 2 221 . 1 1 42 42 LYS HB2 H 1 1.76 0.01 . 2 . . . . 42 LYS HB2 . 15172 2 222 . 1 1 42 42 LYS HB3 H 1 1.99 0.01 . 2 . . . . 42 LYS HB3 . 15172 2 223 . 1 1 42 42 LYS HG2 H 1 1.51 0.01 . 1 . . . . 42 LYS HG2 . 15172 2 224 . 1 1 42 42 LYS HG3 H 1 1.51 0.01 . 1 . . . . 42 LYS HG3 . 15172 2 225 . 1 1 43 43 ILE H H 1 8.23 0.01 . 1 . . . . 43 ILE HN . 15172 2 226 . 1 1 43 43 ILE HA H 1 3.69 0.01 . 1 . . . . 43 ILE HA . 15172 2 227 . 1 1 43 43 ILE HB H 1 1.97 0.01 . 1 . . . . 43 ILE HB . 15172 2 228 . 1 1 43 43 ILE HG12 H 1 0.99 0.01 . 2 . . . . 43 ILE HG12 . 15172 2 229 . 1 1 43 43 ILE HG13 H 1 2.27 0.01 . 2 . . . . 43 ILE HG13 . 15172 2 230 . 1 1 43 43 ILE HG21 H 1 1.14 0.01 . 1 . . . . 43 ILE HG2 . 15172 2 231 . 1 1 43 43 ILE HG22 H 1 1.14 0.01 . 1 . . . . 43 ILE HG2 . 15172 2 232 . 1 1 43 43 ILE HG23 H 1 1.14 0.01 . 1 . . . . 43 ILE HG2 . 15172 2 233 . 1 1 43 43 ILE HD11 H 1 0.90 0.01 . 1 . . . . 43 ILE HD1 . 15172 2 234 . 1 1 43 43 ILE HD12 H 1 0.90 0.01 . 1 . . . . 43 ILE HD1 . 15172 2 235 . 1 1 43 43 ILE HD13 H 1 0.90 0.01 . 1 . . . . 43 ILE HD1 . 15172 2 236 . 1 1 44 44 SER H H 1 7.93 0.01 . 1 . . . . 44 SER HN . 15172 2 237 . 1 1 44 44 SER HA H 1 4.66 0.01 . 1 . . . . 44 SER HA . 15172 2 238 . 1 1 44 44 SER HB2 H 1 4.07 0.01 . 1 . . . . 44 SER HB2 . 15172 2 239 . 1 1 44 44 SER HB3 H 1 4.07 0.01 . 1 . . . . 44 SER HB3 . 15172 2 240 . 1 1 45 45 GLU H H 1 8.59 0.01 . 1 . . . . 45 GLU HN . 15172 2 241 . 1 1 45 45 GLU HA H 1 4.07 0.01 . 1 . . . . 45 GLU HA . 15172 2 242 . 1 1 45 45 GLU HB2 H 1 2.22 0.01 . 2 . . . . 45 GLU HB2 . 15172 2 243 . 1 1 45 45 GLU HB3 H 1 2.36 0.01 . 2 . . . . 45 GLU HB3 . 15172 2 244 . 1 1 45 45 GLU HG2 H 1 2.28 0.01 . 2 . . . . 45 GLU HG2 . 15172 2 245 . 1 1 45 45 GLU HG3 H 1 2.54 0.01 . 2 . . . . 45 GLU HG3 . 15172 2 246 . 1 1 46 46 LEU H H 1 7.86 0.01 . 1 . . . . 46 LEU HN . 15172 2 247 . 1 1 46 46 LEU HA H 1 4.14 0.01 . 1 . . . . 46 LEU HA . 15172 2 248 . 1 1 46 46 LEU HB2 H 1 1.55 0.01 . 1 . . . . 46 LEU HB2 . 15172 2 249 . 1 1 46 46 LEU HB3 H 1 1.55 0.01 . 1 . . . . 46 LEU HB3 . 15172 2 250 . 1 1 46 46 LEU HG H 1 1.62 0.01 . 1 . . . . 46 LEU HG . 15172 2 251 . 1 1 46 46 LEU HD11 H 1 1.01 0.01 . 2 . . . . 46 LEU HD1 . 15172 2 252 . 1 1 46 46 LEU HD12 H 1 1.01 0.01 . 2 . . . . 46 LEU HD1 . 15172 2 253 . 1 1 46 46 LEU HD13 H 1 1.01 0.01 . 2 . . . . 46 LEU HD1 . 15172 2 254 . 1 1 46 46 LEU HD21 H 1 1.01 0.01 . 2 . . . . 46 LEU HD2 . 15172 2 255 . 1 1 46 46 LEU HD22 H 1 1.01 0.01 . 2 . . . . 46 LEU HD2 . 15172 2 256 . 1 1 46 46 LEU HD23 H 1 1.01 0.01 . 2 . . . . 46 LEU HD2 . 15172 2 257 . 1 1 47 47 GLY H H 1 7.86 0.01 . 1 . . . . 47 GLY HN . 15172 2 258 . 1 1 47 47 GLY HA2 H 1 3.96 0.01 . 2 . . . . 47 GLY HA1 . 15172 2 259 . 1 1 47 47 GLY HA3 H 1 3.69 0.01 . 2 . . . . 47 GLY HA2 . 15172 2 260 . 1 1 48 48 PHE H H 1 7.29 0.01 . 1 . . . . 48 PHE HN . 15172 2 261 . 1 1 48 48 PHE HA H 1 5.22 0.01 . 1 . . . . 48 PHE HA . 15172 2 262 . 1 1 48 48 PHE HB2 H 1 2.72 0.01 . 2 . . . . 48 PHE HB2 . 15172 2 263 . 1 1 48 48 PHE HB3 H 1 3.62 0.01 . 2 . . . . 48 PHE HB3 . 15172 2 264 . 1 1 48 48 PHE HD1 H 1 7.27 0.01 . 1 . . . . 48 PHE HD1 . 15172 2 265 . 1 1 48 48 PHE HD2 H 1 7.27 0.01 . 1 . . . . 48 PHE HD2 . 15172 2 266 . 1 1 48 48 PHE HE1 H 1 7.36 0.01 . 1 . . . . 48 PHE HE1 . 15172 2 267 . 1 1 48 48 PHE HE2 H 1 7.36 0.01 . 1 . . . . 48 PHE HE2 . 15172 2 268 . 1 1 48 48 PHE HZ H 1 7.41 0.01 . 1 . . . . 48 PHE HZ . 15172 2 269 . 1 1 49 49 ASP H H 1 8.40 0.01 . 1 . . . . 49 ASP HN . 15172 2 270 . 1 1 49 49 ASP HA H 1 4.70 0.01 . 1 . . . . 49 ASP HA . 15172 2 271 . 1 1 49 49 ASP HB2 H 1 2.67 0.01 . 2 . . . . 49 ASP HB2 . 15172 2 272 . 1 1 49 49 ASP HB3 H 1 2.73 0.01 . 2 . . . . 49 ASP HB3 . 15172 2 273 . 1 1 50 50 VAL H H 1 8.05 0.01 . 1 . . . . 50 VAL HN . 15172 2 274 . 1 1 50 50 VAL HA H 1 5.41 0.01 . 1 . . . . 50 VAL HA . 15172 2 275 . 1 1 50 50 VAL HB H 1 2.10 0.01 . 1 . . . . 50 VAL HB . 15172 2 276 . 1 1 50 50 VAL HG11 H 1 1.05 0.01 . 2 . . . . 50 VAL HG1 . 15172 2 277 . 1 1 50 50 VAL HG12 H 1 1.05 0.01 . 2 . . . . 50 VAL HG1 . 15172 2 278 . 1 1 50 50 VAL HG13 H 1 1.05 0.01 . 2 . . . . 50 VAL HG1 . 15172 2 279 . 1 1 50 50 VAL HG21 H 1 1.05 0.01 . 2 . . . . 50 VAL HG2 . 15172 2 280 . 1 1 50 50 VAL HG22 H 1 1.05 0.01 . 2 . . . . 50 VAL HG2 . 15172 2 281 . 1 1 50 50 VAL HG23 H 1 1.05 0.01 . 2 . . . . 50 VAL HG2 . 15172 2 282 . 1 1 51 51 LYS H H 1 8.92 0.01 . 1 . . . . 51 LYS HN . 15172 2 283 . 1 1 51 51 LYS HA H 1 4.86 0.01 . 1 . . . . 51 LYS HA . 15172 2 284 . 1 1 51 51 LYS HB2 H 1 1.90 0.01 . 2 . . . . 51 LYS HB2 . 15172 2 285 . 1 1 51 51 LYS HB3 H 1 2.05 0.01 . 2 . . . . 51 LYS HB3 . 15172 2 286 . 1 1 51 51 LYS HG2 H 1 1.26 0.01 . 2 . . . . 51 LYS HG2 . 15172 2 287 . 1 1 51 51 LYS HG3 H 1 1.51 0.01 . 2 . . . . 51 LYS HG3 . 15172 2 288 . 1 1 51 51 LYS HD2 H 1 1.74 0.01 . 1 . . . . 51 LYS HD2 . 15172 2 289 . 1 1 51 51 LYS HD3 H 1 1.74 0.01 . 1 . . . . 51 LYS HD3 . 15172 2 290 . 1 1 52 52 SER H H 1 8.80 0.01 . 1 . . . . 52 SER HN . 15172 2 291 . 1 1 52 52 SER HA H 1 5.16 0.01 . 1 . . . . 52 SER HA . 15172 2 292 . 1 1 52 52 SER HB2 H 1 3.86 0.01 . 2 . . . . 52 SER HB2 . 15172 2 293 . 1 1 52 52 SER HB3 H 1 4.00 0.01 . 2 . . . . 52 SER HB3 . 15172 2 294 . 1 1 53 53 GLU H H 1 8.57 0.01 . 1 . . . . 53 GLU HN . 15172 2 295 . 1 1 53 53 GLU HA H 1 4.55 0.01 . 1 . . . . 53 GLU HA . 15172 2 296 . 1 1 53 53 GLU HB2 H 1 1.86 0.01 . 2 . . . . 53 GLU HB2 . 15172 2 297 . 1 1 53 53 GLU HB3 H 1 2.02 0.01 . 2 . . . . 53 GLU HB3 . 15172 2 298 . 1 1 53 53 GLU HG2 H 1 2.18 0.01 . 1 . . . . 53 GLU HG2 . 15172 2 299 . 1 1 53 53 GLU HG3 H 1 2.18 0.01 . 1 . . . . 53 GLU HG3 . 15172 2 300 . 1 1 54 54 GLY H H 1 9.09 0.01 . 1 . . . . 54 GLY HN . 15172 2 301 . 1 1 54 54 GLY HA2 H 1 4.06 0.01 . 2 . . . . 54 GLY HA1 . 15172 2 302 . 1 1 54 54 GLY HA3 H 1 3.71 0.01 . 2 . . . . 54 GLY HA2 . 15172 2 303 . 1 1 55 55 ASP H H 1 8.88 0.01 . 1 . . . . 55 ASP HN . 15172 2 304 . 1 1 55 55 ASP HA H 1 4.64 0.01 . 1 . . . . 55 ASP HA . 15172 2 305 . 1 1 55 55 ASP HB2 H 1 2.79 0.01 . 2 . . . . 55 ASP HB2 . 15172 2 306 . 1 1 55 55 ASP HB3 H 1 2.92 0.01 . 2 . . . . 55 ASP HB3 . 15172 2 307 . 1 1 56 56 LEU H H 1 8.29 0.01 . 1 . . . . 56 LEU HN . 15172 2 308 . 1 1 56 56 LEU HA H 1 5.09 0.01 . 1 . . . . 56 LEU HA . 15172 2 309 . 1 1 56 56 LEU HB2 H 1 1.35 0.01 . 2 . . . . 56 LEU HB2 . 15172 2 310 . 1 1 56 56 LEU HB3 H 1 2.11 0.01 . 2 . . . . 56 LEU HB3 . 15172 2 311 . 1 1 56 56 LEU HG H 1 1.86 0.01 . 1 . . . . 56 LEU HG . 15172 2 312 . 1 1 56 56 LEU HD11 H 1 0.84 0.01 . 2 . . . . 56 LEU HD1 . 15172 2 313 . 1 1 56 56 LEU HD12 H 1 0.84 0.01 . 2 . . . . 56 LEU HD1 . 15172 2 314 . 1 1 56 56 LEU HD13 H 1 0.84 0.01 . 2 . . . . 56 LEU HD1 . 15172 2 315 . 1 1 56 56 LEU HD21 H 1 0.90 0.01 . 2 . . . . 56 LEU HD2 . 15172 2 316 . 1 1 56 56 LEU HD22 H 1 0.90 0.01 . 2 . . . . 56 LEU HD2 . 15172 2 317 . 1 1 56 56 LEU HD23 H 1 0.90 0.01 . 2 . . . . 56 LEU HD2 . 15172 2 318 . 1 1 57 57 ILE H H 1 9.19 0.01 . 1 . . . . 57 ILE HN . 15172 2 319 . 1 1 57 57 ILE HA H 1 4.40 0.01 . 1 . . . . 57 ILE HA . 15172 2 320 . 1 1 57 57 ILE HB H 1 1.85 0.01 . 1 . . . . 57 ILE HB . 15172 2 321 . 1 1 57 57 ILE HG12 H 1 1.43 0.01 . 2 . . . . 57 ILE HG12 . 15172 2 322 . 1 1 57 57 ILE HG13 H 1 1.75 0.01 . 2 . . . . 57 ILE HG13 . 15172 2 323 . 1 1 57 57 ILE HG21 H 1 0.81 0.01 . 1 . . . . 57 ILE HG2 . 15172 2 324 . 1 1 57 57 ILE HG22 H 1 0.81 0.01 . 1 . . . . 57 ILE HG2 . 15172 2 325 . 1 1 57 57 ILE HG23 H 1 0.81 0.01 . 1 . . . . 57 ILE HG2 . 15172 2 326 . 1 1 57 57 ILE HD11 H 1 0.72 0.01 . 1 . . . . 57 ILE HD1 . 15172 2 327 . 1 1 57 57 ILE HD12 H 1 0.72 0.01 . 1 . . . . 57 ILE HD1 . 15172 2 328 . 1 1 57 57 ILE HD13 H 1 0.72 0.01 . 1 . . . . 57 ILE HD1 . 15172 2 329 . 1 1 58 58 ILE H H 1 9.18 0.01 . 1 . . . . 58 ILE HN . 15172 2 330 . 1 1 58 58 ILE HA H 1 5.27 0.01 . 1 . . . . 58 ILE HA . 15172 2 331 . 1 1 58 58 ILE HB H 1 2.02 0.01 . 1 . . . . 58 ILE HB . 15172 2 332 . 1 1 58 58 ILE HG12 H 1 1.34 0.01 . 1 . . . . 58 ILE HG12 . 15172 2 333 . 1 1 58 58 ILE HG13 H 1 1.34 0.01 . 1 . . . . 58 ILE HG13 . 15172 2 334 . 1 1 58 58 ILE HG21 H 1 0.89 0.01 . 1 . . . . 58 ILE HG2 . 15172 2 335 . 1 1 58 58 ILE HG22 H 1 0.89 0.01 . 1 . . . . 58 ILE HG2 . 15172 2 336 . 1 1 58 58 ILE HG23 H 1 0.89 0.01 . 1 . . . . 58 ILE HG2 . 15172 2 337 . 1 1 58 58 ILE HD11 H 1 0.81 0.01 . 1 . . . . 58 ILE HD1 . 15172 2 338 . 1 1 58 58 ILE HD12 H 1 0.81 0.01 . 1 . . . . 58 ILE HD1 . 15172 2 339 . 1 1 58 58 ILE HD13 H 1 0.81 0.01 . 1 . . . . 58 ILE HD1 . 15172 2 340 . 1 1 59 59 ALA H H 1 9.39 0.01 . 1 . . . . 59 ALA HN . 15172 2 341 . 1 1 59 59 ALA HA H 1 5.57 0.01 . 1 . . . . 59 ALA HA . 15172 2 342 . 1 1 59 59 ALA HB1 H 1 1.33 0.01 . 1 . . . . 59 ALA HB . 15172 2 343 . 1 1 59 59 ALA HB2 H 1 1.33 0.01 . 1 . . . . 59 ALA HB . 15172 2 344 . 1 1 59 59 ALA HB3 H 1 1.33 0.01 . 1 . . . . 59 ALA HB . 15172 2 345 . 1 1 60 60 SER H H 1 7.74 0.01 . 1 . . . . 60 SER HN . 15172 2 346 . 1 1 60 60 SER HA H 1 4.77 0.01 . 1 . . . . 60 SER HA . 15172 2 347 . 1 1 60 60 SER HB2 H 1 3.69 0.01 . 2 . . . . 60 SER HB2 . 15172 2 348 . 1 1 60 60 SER HB3 H 1 3.90 0.01 . 2 . . . . 60 SER HB3 . 15172 2 349 . 1 1 61 61 ILE H H 1 8.11 0.01 . 1 . . . . 61 ILE HN . 15172 2 350 . 1 1 61 61 ILE HA H 1 4.63 0.01 . 1 . . . . 61 ILE HA . 15172 2 351 . 1 1 61 61 ILE HB H 1 1.25 0.01 . 1 . . . . 61 ILE HB . 15172 2 352 . 1 1 61 61 ILE HG12 H 1 0.58 0.01 . 2 . . . . 61 ILE HG12 . 15172 2 353 . 1 1 61 61 ILE HG13 H 1 0.94 0.01 . 2 . . . . 61 ILE HG13 . 15172 2 354 . 1 1 61 61 ILE HG21 H 1 -0.45 0.01 . 1 . . . . 61 ILE HG2 . 15172 2 355 . 1 1 61 61 ILE HG22 H 1 -0.45 0.01 . 1 . . . . 61 ILE HG2 . 15172 2 356 . 1 1 61 61 ILE HG23 H 1 -0.45 0.01 . 1 . . . . 61 ILE HG2 . 15172 2 357 . 1 1 61 61 ILE HD11 H 1 0.34 0.01 . 1 . . . . 61 ILE HD1 . 15172 2 358 . 1 1 61 61 ILE HD12 H 1 0.34 0.01 . 1 . . . . 61 ILE HD1 . 15172 2 359 . 1 1 61 61 ILE HD13 H 1 0.34 0.01 . 1 . . . . 61 ILE HD1 . 15172 2 360 . 1 1 62 62 PRO HA H 1 4.22 0.01 . 1 . . . . 62 PRO HA . 15172 2 361 . 1 1 62 62 PRO HB2 H 1 2.02 0.01 . 2 . . . . 62 PRO HB2 . 15172 2 362 . 1 1 62 62 PRO HB3 H 1 2.31 0.01 . 2 . . . . 62 PRO HB3 . 15172 2 363 . 1 1 62 62 PRO HG2 H 1 2.08 0.01 . 1 . . . . 62 PRO HG2 . 15172 2 364 . 1 1 62 62 PRO HG3 H 1 2.08 0.01 . 1 . . . . 62 PRO HG3 . 15172 2 365 . 1 1 62 62 PRO HD2 H 1 3.41 0.01 . 2 . . . . 62 PRO HD2 . 15172 2 366 . 1 1 62 62 PRO HD3 H 1 3.86 0.01 . 2 . . . . 62 PRO HD3 . 15172 2 367 . 1 1 63 63 GLY H H 1 8.41 0.01 . 1 . . . . 63 GLY HN . 15172 2 368 . 1 1 63 63 GLY HA2 H 1 4.42 0.01 . 2 . . . . 63 GLY HA1 . 15172 2 369 . 1 1 63 63 GLY HA3 H 1 3.53 0.01 . 2 . . . . 63 GLY HA2 . 15172 2 370 . 1 1 64 64 ILE H H 1 8.10 0.01 . 1 . . . . 64 ILE HN . 15172 2 371 . 1 1 64 64 ILE HA H 1 4.23 0.01 . 1 . . . . 64 ILE HA . 15172 2 372 . 1 1 64 64 ILE HB H 1 1.58 0.01 . 1 . . . . 64 ILE HB . 15172 2 373 . 1 1 64 64 ILE HG12 H 1 1.16 0.01 . 1 . . . . 64 ILE HG12 . 15172 2 374 . 1 1 64 64 ILE HG13 H 1 1.16 0.01 . 1 . . . . 64 ILE HG13 . 15172 2 375 . 1 1 64 64 ILE HG21 H 1 0.66 0.01 . 1 . . . . 64 ILE HG2 . 15172 2 376 . 1 1 64 64 ILE HG22 H 1 0.66 0.01 . 1 . . . . 64 ILE HG2 . 15172 2 377 . 1 1 64 64 ILE HG23 H 1 0.66 0.01 . 1 . . . . 64 ILE HG2 . 15172 2 378 . 1 1 64 64 ILE HD11 H 1 0.47 0.01 . 1 . . . . 64 ILE HD1 . 15172 2 379 . 1 1 64 64 ILE HD12 H 1 0.47 0.01 . 1 . . . . 64 ILE HD1 . 15172 2 380 . 1 1 64 64 ILE HD13 H 1 0.47 0.01 . 1 . . . . 64 ILE HD1 . 15172 2 381 . 1 1 65 65 SER H H 1 8.83 0.01 . 1 . . . . 65 SER HN . 15172 2 382 . 1 1 65 65 SER HA H 1 4.30 0.01 . 1 . . . . 65 SER HA . 15172 2 383 . 1 1 65 65 SER HB2 H 1 3.97 0.01 . 1 . . . . 65 SER HB2 . 15172 2 384 . 1 1 65 65 SER HB3 H 1 3.97 0.01 . 1 . . . . 65 SER HB3 . 15172 2 385 . 1 1 66 66 ARG H H 1 8.14 0.01 . 1 . . . . 66 ARG HN . 15172 2 386 . 1 1 66 66 ARG HA H 1 4.51 0.01 . 1 . . . . 66 ARG HA . 15172 2 387 . 1 1 66 66 ARG HB2 H 1 1.72 0.01 . 1 . . . . 66 ARG HB2 . 15172 2 388 . 1 1 66 66 ARG HB3 H 1 1.72 0.01 . 1 . . . . 66 ARG HB3 . 15172 2 389 . 1 1 66 66 ARG HD2 H 1 3.32 0.01 . 1 . . . . 66 ARG HD2 . 15172 2 390 . 1 1 66 66 ARG HD3 H 1 3.32 0.01 . 1 . . . . 66 ARG HD3 . 15172 2 391 . 1 1 67 67 ILE H H 1 8.87 0.01 . 1 . . . . 67 ILE HN . 15172 2 392 . 1 1 67 67 ILE HA H 1 4.50 0.01 . 1 . . . . 67 ILE HA . 15172 2 393 . 1 1 67 67 ILE HB H 1 1.75 0.01 . 1 . . . . 67 ILE HB . 15172 2 394 . 1 1 67 67 ILE HG12 H 1 0.86 0.01 . 2 . . . . 67 ILE HG12 . 15172 2 395 . 1 1 67 67 ILE HG13 H 1 1.58 0.01 . 2 . . . . 67 ILE HG13 . 15172 2 396 . 1 1 67 67 ILE HG21 H 1 0.92 0.01 . 1 . . . . 67 ILE HG2 . 15172 2 397 . 1 1 67 67 ILE HG22 H 1 0.92 0.01 . 1 . . . . 67 ILE HG2 . 15172 2 398 . 1 1 67 67 ILE HG23 H 1 0.92 0.01 . 1 . . . . 67 ILE HG2 . 15172 2 399 . 1 1 67 67 ILE HD11 H 1 0.62 0.01 . 1 . . . . 67 ILE HD1 . 15172 2 400 . 1 1 67 67 ILE HD12 H 1 0.62 0.01 . 1 . . . . 67 ILE HD1 . 15172 2 401 . 1 1 67 67 ILE HD13 H 1 0.62 0.01 . 1 . . . . 67 ILE HD1 . 15172 2 402 . 1 1 68 68 GLU H H 1 8.82 0.01 . 1 . . . . 68 GLU HN . 15172 2 403 . 1 1 68 68 GLU HA H 1 4.98 0.01 . 1 . . . . 68 GLU HA . 15172 2 404 . 1 1 68 68 GLU HB2 H 1 1.98 0.01 . 2 . . . . 68 GLU HB2 . 15172 2 405 . 1 1 68 68 GLU HB3 H 1 2.13 0.01 . 2 . . . . 68 GLU HB3 . 15172 2 406 . 1 1 68 68 GLU HG2 H 1 2.42 0.01 . 2 . . . . 68 GLU HG2 . 15172 2 407 . 1 1 68 68 GLU HG3 H 1 2.45 0.01 . 2 . . . . 68 GLU HG3 . 15172 2 408 . 1 1 69 69 ILE H H 1 9.81 0.01 . 1 . . . . 69 ILE HN . 15172 2 409 . 1 1 69 69 ILE HA H 1 5.16 0.01 . 1 . . . . 69 ILE HA . 15172 2 410 . 1 1 69 69 ILE HB H 1 1.75 0.01 . 1 . . . . 69 ILE HB . 15172 2 411 . 1 1 69 69 ILE HG21 H 1 0.75 0.01 . 1 . . . . 69 ILE HG2 . 15172 2 412 . 1 1 69 69 ILE HG22 H 1 0.75 0.01 . 1 . . . . 69 ILE HG2 . 15172 2 413 . 1 1 69 69 ILE HG23 H 1 0.75 0.01 . 1 . . . . 69 ILE HG2 . 15172 2 414 . 1 1 69 69 ILE HD11 H 1 0.81 0.01 . 1 . . . . 69 ILE HD1 . 15172 2 415 . 1 1 69 69 ILE HD12 H 1 0.81 0.01 . 1 . . . . 69 ILE HD1 . 15172 2 416 . 1 1 69 69 ILE HD13 H 1 0.81 0.01 . 1 . . . . 69 ILE HD1 . 15172 2 417 . 1 1 70 70 LYS H H 1 9.39 0.01 . 1 . . . . 70 LYS HN . 15172 2 418 . 1 1 70 70 LYS HA H 1 5.26 0.01 . 1 . . . . 70 LYS HA . 15172 2 419 . 1 1 70 70 LYS HB2 H 1 2.11 0.01 . 1 . . . . 70 LYS HB2 . 15172 2 420 . 1 1 70 70 LYS HB3 H 1 2.11 0.01 . 1 . . . . 70 LYS HB3 . 15172 2 421 . 1 1 70 70 LYS HG2 H 1 1.57 0.01 . 1 . . . . 70 LYS HG2 . 15172 2 422 . 1 1 70 70 LYS HG3 H 1 1.57 0.01 . 1 . . . . 70 LYS HG3 . 15172 2 423 . 1 1 70 70 LYS HD2 H 1 1.70 0.01 . 1 . . . . 70 LYS HD2 . 15172 2 424 . 1 1 70 70 LYS HD3 H 1 1.70 0.01 . 1 . . . . 70 LYS HD3 . 15172 2 425 . 1 1 70 70 LYS HE2 H 1 3.02 0.01 . 1 . . . . 70 LYS HE2 . 15172 2 426 . 1 1 70 70 LYS HE3 H 1 3.02 0.01 . 1 . . . . 70 LYS HE3 . 15172 2 427 . 1 1 71 71 PRO HA H 1 4.60 0.01 . 1 . . . . 71 PRO HA . 15172 2 428 . 1 1 71 71 PRO HB2 H 1 2.10 0.01 . 2 . . . . 71 PRO HB2 . 15172 2 429 . 1 1 71 71 PRO HB3 H 1 2.16 0.01 . 2 . . . . 71 PRO HB3 . 15172 2 430 . 1 1 71 71 PRO HG2 H 1 1.30 0.01 . 2 . . . . 71 PRO HG2 . 15172 2 431 . 1 1 71 71 PRO HG3 H 1 1.69 0.01 . 2 . . . . 71 PRO HG3 . 15172 2 432 . 1 1 71 71 PRO HD2 H 1 3.54 0.01 . 2 . . . . 71 PRO HD2 . 15172 2 433 . 1 1 71 71 PRO HD3 H 1 3.82 0.01 . 2 . . . . 71 PRO HD3 . 15172 2 434 . 1 1 72 72 ASP H H 1 8.42 0.01 . 1 . . . . 72 ASP HN . 15172 2 435 . 1 1 72 72 ASP HB2 H 1 2.49 0.01 . 2 . . . . 72 ASP HB2 . 15172 2 436 . 1 1 72 72 ASP HB3 H 1 2.60 0.01 . 2 . . . . 72 ASP HB3 . 15172 2 437 . 1 1 73 73 LYS H H 1 9.49 0.01 . 1 . . . . 73 LYS HN . 15172 2 438 . 1 1 73 73 LYS HA H 1 4.19 0.01 . 1 . . . . 73 LYS HA . 15172 2 439 . 1 1 73 73 LYS HB2 H 1 1.85 0.01 . 2 . . . . 73 LYS HB2 . 15172 2 440 . 1 1 73 73 LYS HB3 H 1 2.00 0.01 . 2 . . . . 73 LYS HB3 . 15172 2 441 . 1 1 73 73 LYS HG2 H 1 1.48 0.01 . 2 . . . . 73 LYS HG2 . 15172 2 442 . 1 1 73 73 LYS HG3 H 1 1.59 0.01 . 2 . . . . 73 LYS HG3 . 15172 2 443 . 1 1 73 73 LYS HD2 H 1 1.77 0.01 . 2 . . . . 73 LYS HD2 . 15172 2 444 . 1 1 73 73 LYS HD3 H 1 1.82 0.01 . 2 . . . . 73 LYS HD3 . 15172 2 445 . 1 1 73 73 LYS HE2 H 1 3.09 0.01 . 1 . . . . 73 LYS HE2 . 15172 2 446 . 1 1 73 73 LYS HE3 H 1 3.09 0.01 . 1 . . . . 73 LYS HE3 . 15172 2 447 . 1 1 74 74 ARG H H 1 8.82 0.01 . 1 . . . . 74 ARG HN . 15172 2 448 . 1 1 74 74 ARG HA H 1 4.21 0.01 . 1 . . . . 74 ARG HA . 15172 2 449 . 1 1 75 75 LYS H H 1 7.78 0.01 . 1 . . . . 75 LYS HN . 15172 2 450 . 1 1 75 75 LYS HA H 1 5.21 0.01 . 1 . . . . 75 LYS HA . 15172 2 451 . 1 1 75 75 LYS HB2 H 1 1.71 0.01 . 2 . . . . 75 LYS HB2 . 15172 2 452 . 1 1 75 75 LYS HB3 H 1 1.81 0.01 . 2 . . . . 75 LYS HB3 . 15172 2 453 . 1 1 75 75 LYS HG2 H 1 1.13 0.01 . 2 . . . . 75 LYS HG2 . 15172 2 454 . 1 1 75 75 LYS HG3 H 1 1.39 0.01 . 2 . . . . 75 LYS HG3 . 15172 2 455 . 1 1 75 75 LYS HD2 H 1 1.53 0.01 . 1 . . . . 75 LYS HD2 . 15172 2 456 . 1 1 75 75 LYS HD3 H 1 1.53 0.01 . 1 . . . . 75 LYS HD3 . 15172 2 457 . 1 1 75 75 LYS HE2 H 1 2.86 0.01 . 2 . . . . 75 LYS HE2 . 15172 2 458 . 1 1 75 75 LYS HE3 H 1 2.93 0.01 . 2 . . . . 75 LYS HE3 . 15172 2 459 . 1 1 76 76 ILE H H 1 8.75 0.01 . 1 . . . . 76 ILE HN . 15172 2 460 . 1 1 76 76 ILE HA H 1 4.79 0.01 . 1 . . . . 76 ILE HA . 15172 2 461 . 1 1 76 76 ILE HB H 1 1.54 0.01 . 1 . . . . 76 ILE HB . 15172 2 462 . 1 1 76 76 ILE HG12 H 1 0.96 0.01 . 2 . . . . 76 ILE HG12 . 15172 2 463 . 1 1 76 76 ILE HG13 H 1 1.63 0.01 . 2 . . . . 76 ILE HG13 . 15172 2 464 . 1 1 76 76 ILE HG21 H 1 0.76 0.01 . 1 . . . . 76 ILE HG2 . 15172 2 465 . 1 1 76 76 ILE HG22 H 1 0.76 0.01 . 1 . . . . 76 ILE HG2 . 15172 2 466 . 1 1 76 76 ILE HG23 H 1 0.76 0.01 . 1 . . . . 76 ILE HG2 . 15172 2 467 . 1 1 76 76 ILE HD11 H 1 0.55 0.01 . 1 . . . . 76 ILE HD1 . 15172 2 468 . 1 1 76 76 ILE HD12 H 1 0.55 0.01 . 1 . . . . 76 ILE HD1 . 15172 2 469 . 1 1 76 76 ILE HD13 H 1 0.55 0.01 . 1 . . . . 76 ILE HD1 . 15172 2 470 . 1 1 77 77 LEU H H 1 8.59 0.01 . 1 . . . . 77 LEU HN . 15172 2 471 . 1 1 77 77 LEU HA H 1 5.23 0.01 . 1 . . . . 77 LEU HA . 15172 2 472 . 1 1 77 77 LEU HB2 H 1 1.70 0.01 . 2 . . . . 77 LEU HB2 . 15172 2 473 . 1 1 77 77 LEU HB3 H 1 2.00 0.01 . 2 . . . . 77 LEU HB3 . 15172 2 474 . 1 1 77 77 LEU HD11 H 1 0.89 0.01 . 2 . . . . 77 LEU HD1 . 15172 2 475 . 1 1 77 77 LEU HD12 H 1 0.89 0.01 . 2 . . . . 77 LEU HD1 . 15172 2 476 . 1 1 77 77 LEU HD13 H 1 0.89 0.01 . 2 . . . . 77 LEU HD1 . 15172 2 477 . 1 1 77 77 LEU HD21 H 1 0.94 0.01 . 2 . . . . 77 LEU HD2 . 15172 2 478 . 1 1 77 77 LEU HD22 H 1 0.94 0.01 . 2 . . . . 77 LEU HD2 . 15172 2 479 . 1 1 77 77 LEU HD23 H 1 0.94 0.01 . 2 . . . . 77 LEU HD2 . 15172 2 480 . 1 1 78 78 VAL H H 1 9.27 0.01 . 1 . . . . 78 VAL HN . 15172 2 481 . 1 1 78 78 VAL HA H 1 5.40 0.01 . 1 . . . . 78 VAL HA . 15172 2 482 . 1 1 78 78 VAL HB H 1 2.16 0.01 . 1 . . . . 78 VAL HB . 15172 2 483 . 1 1 78 78 VAL HG11 H 1 1.14 0.01 . 2 . . . . 78 VAL HG1 . 15172 2 484 . 1 1 78 78 VAL HG12 H 1 1.14 0.01 . 2 . . . . 78 VAL HG1 . 15172 2 485 . 1 1 78 78 VAL HG13 H 1 1.14 0.01 . 2 . . . . 78 VAL HG1 . 15172 2 486 . 1 1 78 78 VAL HG21 H 1 0.95 0.01 . 2 . . . . 78 VAL HG2 . 15172 2 487 . 1 1 78 78 VAL HG22 H 1 0.95 0.01 . 2 . . . . 78 VAL HG2 . 15172 2 488 . 1 1 78 78 VAL HG23 H 1 0.95 0.01 . 2 . . . . 78 VAL HG2 . 15172 2 489 . 1 1 79 79 ASN H H 1 9.56 0.01 . 1 . . . . 79 ASN HN . 15172 2 490 . 1 1 79 79 ASN HA H 1 5.52 0.01 . 1 . . . . 79 ASN HA . 15172 2 491 . 1 1 79 79 ASN HB2 H 1 2.77 0.01 . 2 . . . . 79 ASN HB2 . 15172 2 492 . 1 1 79 79 ASN HB3 H 1 3.13 0.01 . 2 . . . . 79 ASN HB3 . 15172 2 493 . 1 1 79 79 ASN HD21 H 1 7.69 0.01 . 2 . . . . 79 ASN HD21 . 15172 2 494 . 1 1 79 79 ASN HD22 H 1 6.78 0.01 . 2 . . . . 79 ASN HD22 . 15172 2 495 . 1 1 80 80 THR H H 1 8.72 0.01 . 1 . . . . 80 THR HN . 15172 2 496 . 1 1 80 80 THR HA H 1 4.63 0.01 . 1 . . . . 80 THR HA . 15172 2 497 . 1 1 80 80 THR HB H 1 4.36 0.01 . 1 . . . . 80 THR HB . 15172 2 498 . 1 1 80 80 THR HG21 H 1 1.16 0.01 . 1 . . . . 80 THR HG2 . 15172 2 499 . 1 1 80 80 THR HG22 H 1 1.16 0.01 . 1 . . . . 80 THR HG2 . 15172 2 500 . 1 1 80 80 THR HG23 H 1 1.16 0.01 . 1 . . . . 80 THR HG2 . 15172 2 501 . 1 1 81 81 GLY H H 1 8.10 0.01 . 1 . . . . 81 GLY HN . 15172 2 502 . 1 1 82 82 ASP H H 1 8.29 0.01 . 1 . . . . 82 ASP HN . 15172 2 503 . 1 1 82 82 ASP HA H 1 4.49 0.01 . 1 . . . . 82 ASP HA . 15172 2 504 . 1 1 82 82 ASP HB2 H 1 2.52 0.01 . 2 . . . . 82 ASP HB2 . 15172 2 505 . 1 1 82 82 ASP HB3 H 1 2.72 0.01 . 2 . . . . 82 ASP HB3 . 15172 2 506 . 1 1 83 83 TYR H H 1 8.27 0.01 . 1 . . . . 83 TYR HN . 15172 2 507 . 1 1 83 83 TYR HB2 H 1 2.99 0.01 . 2 . . . . 83 TYR HB2 . 15172 2 508 . 1 1 83 83 TYR HB3 H 1 3.05 0.01 . 2 . . . . 83 TYR HB3 . 15172 2 509 . 1 1 83 83 TYR HD1 H 1 7.00 0.01 . 1 . . . . 83 TYR HD1 . 15172 2 510 . 1 1 83 83 TYR HD2 H 1 7.00 0.01 . 1 . . . . 83 TYR HD2 . 15172 2 511 . 1 1 83 83 TYR HE1 H 1 6.62 0.01 . 1 . . . . 83 TYR HE1 . 15172 2 512 . 1 1 83 83 TYR HE2 H 1 6.62 0.01 . 1 . . . . 83 TYR HE2 . 15172 2 513 . 1 1 84 84 ASP H H 1 8.64 0.01 . 1 . . . . 84 ASP HN . 15172 2 514 . 1 1 84 84 ASP HA H 1 4.46 0.01 . 1 . . . . 84 ASP HA . 15172 2 515 . 1 1 84 84 ASP HB2 H 1 2.48 0.01 . 2 . . . . 84 ASP HB2 . 15172 2 516 . 1 1 84 84 ASP HB3 H 1 2.80 0.01 . 2 . . . . 84 ASP HB3 . 15172 2 517 . 1 1 85 85 SER H H 1 8.59 0.01 . 1 . . . . 85 SER HN . 15172 2 518 . 1 1 85 85 SER HA H 1 4.17 0.01 . 1 . . . . 85 SER HA . 15172 2 519 . 1 1 85 85 SER HB2 H 1 3.87 0.01 . 2 . . . . 85 SER HB2 . 15172 2 520 . 1 1 85 85 SER HB3 H 1 3.98 0.01 . 2 . . . . 85 SER HB3 . 15172 2 521 . 1 1 86 86 ASP H H 1 8.41 0.01 . 1 . . . . 86 ASP HN . 15172 2 522 . 1 1 86 86 ASP HA H 1 4.70 0.01 . 1 . . . . 86 ASP HA . 15172 2 523 . 1 1 86 86 ASP HB2 H 1 2.74 0.01 . 2 . . . . 86 ASP HB2 . 15172 2 524 . 1 1 86 86 ASP HB3 H 1 2.78 0.01 . 2 . . . . 86 ASP HB3 . 15172 2 525 . 1 1 87 87 ALA H H 1 7.49 0.01 . 1 . . . . 87 ALA HN . 15172 2 526 . 1 1 87 87 ALA HA H 1 4.30 0.01 . 1 . . . . 87 ALA HA . 15172 2 527 . 1 1 87 87 ALA HB1 H 1 1.42 0.01 . 1 . . . . 87 ALA HB . 15172 2 528 . 1 1 87 87 ALA HB2 H 1 1.42 0.01 . 1 . . . . 87 ALA HB . 15172 2 529 . 1 1 87 87 ALA HB3 H 1 1.42 0.01 . 1 . . . . 87 ALA HB . 15172 2 530 . 1 1 88 88 ASP H H 1 8.46 0.01 . 1 . . . . 88 ASP HN . 15172 2 531 . 1 1 88 88 ASP HA H 1 4.64 0.01 . 1 . . . . 88 ASP HA . 15172 2 532 . 1 1 88 88 ASP HB2 H 1 2.70 0.01 . 2 . . . . 88 ASP HB2 . 15172 2 533 . 1 1 88 88 ASP HB3 H 1 2.88 0.01 . 2 . . . . 88 ASP HB3 . 15172 2 534 . 1 1 89 89 LYS H H 1 8.55 0.01 . 1 . . . . 89 LYS HN . 15172 2 535 . 1 1 89 89 LYS HA H 1 3.98 0.01 . 1 . . . . 89 LYS HA . 15172 2 536 . 1 1 89 89 LYS HB2 H 1 1.87 0.01 . 1 . . . . 89 LYS HB2 . 15172 2 537 . 1 1 89 89 LYS HB3 H 1 1.87 0.01 . 1 . . . . 89 LYS HB3 . 15172 2 538 . 1 1 89 89 LYS HG2 H 1 1.55 0.01 . 1 . . . . 89 LYS HG2 . 15172 2 539 . 1 1 89 89 LYS HG3 H 1 1.55 0.01 . 1 . . . . 89 LYS HG3 . 15172 2 540 . 1 1 89 89 LYS HD2 H 1 1.69 0.01 . 1 . . . . 89 LYS HD2 . 15172 2 541 . 1 1 89 89 LYS HD3 H 1 1.69 0.01 . 1 . . . . 89 LYS HD3 . 15172 2 542 . 1 1 90 90 LEU H H 1 8.09 0.01 . 1 . . . . 90 LEU HN . 15172 2 543 . 1 1 90 90 LEU HA H 1 4.24 0.01 . 1 . . . . 90 LEU HA . 15172 2 544 . 1 1 90 90 LEU HB2 H 1 1.75 0.01 . 2 . . . . 90 LEU HB2 . 15172 2 545 . 1 1 90 90 LEU HB3 H 1 1.94 0.01 . 2 . . . . 90 LEU HB3 . 15172 2 546 . 1 1 90 90 LEU HG H 1 1.62 0.01 . 1 . . . . 90 LEU HG . 15172 2 547 . 1 1 90 90 LEU HD11 H 1 0.95 0.01 . 2 . . . . 90 LEU HD1 . 15172 2 548 . 1 1 90 90 LEU HD12 H 1 0.95 0.01 . 2 . . . . 90 LEU HD1 . 15172 2 549 . 1 1 90 90 LEU HD13 H 1 0.95 0.01 . 2 . . . . 90 LEU HD1 . 15172 2 550 . 1 1 90 90 LEU HD21 H 1 1.03 0.01 . 2 . . . . 90 LEU HD2 . 15172 2 551 . 1 1 90 90 LEU HD22 H 1 1.03 0.01 . 2 . . . . 90 LEU HD2 . 15172 2 552 . 1 1 90 90 LEU HD23 H 1 1.03 0.01 . 2 . . . . 90 LEU HD2 . 15172 2 553 . 1 1 91 91 ALA H H 1 7.93 0.01 . 1 . . . . 91 ALA HN . 15172 2 554 . 1 1 91 91 ALA HA H 1 4.17 0.01 . 1 . . . . 91 ALA HA . 15172 2 555 . 1 1 91 91 ALA HB1 H 1 1.55 0.01 . 1 . . . . 91 ALA HB . 15172 2 556 . 1 1 91 91 ALA HB2 H 1 1.55 0.01 . 1 . . . . 91 ALA HB . 15172 2 557 . 1 1 91 91 ALA HB3 H 1 1.55 0.01 . 1 . . . . 91 ALA HB . 15172 2 558 . 1 1 92 92 VAL H H 1 8.17 0.01 . 1 . . . . 92 VAL HN . 15172 2 559 . 1 1 92 92 VAL HA H 1 3.91 0.01 . 1 . . . . 92 VAL HA . 15172 2 560 . 1 1 92 92 VAL HB H 1 2.07 0.01 . 1 . . . . 92 VAL HB . 15172 2 561 . 1 1 92 92 VAL HG11 H 1 0.69 0.01 . 2 . . . . 92 VAL HG1 . 15172 2 562 . 1 1 92 92 VAL HG12 H 1 0.69 0.01 . 2 . . . . 92 VAL HG1 . 15172 2 563 . 1 1 92 92 VAL HG13 H 1 0.69 0.01 . 2 . . . . 92 VAL HG1 . 15172 2 564 . 1 1 92 92 VAL HG21 H 1 1.05 0.01 . 2 . . . . 92 VAL HG2 . 15172 2 565 . 1 1 92 92 VAL HG22 H 1 1.05 0.01 . 2 . . . . 92 VAL HG2 . 15172 2 566 . 1 1 92 92 VAL HG23 H 1 1.05 0.01 . 2 . . . . 92 VAL HG2 . 15172 2 567 . 1 1 93 93 VAL H H 1 7.85 0.01 . 1 . . . . 93 VAL HN . 15172 2 568 . 1 1 93 93 VAL HA H 1 3.86 0.01 . 1 . . . . 93 VAL HA . 15172 2 569 . 1 1 93 93 VAL HB H 1 2.24 0.01 . 1 . . . . 93 VAL HB . 15172 2 570 . 1 1 93 93 VAL HG11 H 1 1.19 0.01 . 2 . . . . 93 VAL HG1 . 15172 2 571 . 1 1 93 93 VAL HG12 H 1 1.19 0.01 . 2 . . . . 93 VAL HG1 . 15172 2 572 . 1 1 93 93 VAL HG13 H 1 1.19 0.01 . 2 . . . . 93 VAL HG1 . 15172 2 573 . 1 1 93 93 VAL HG21 H 1 1.09 0.01 . 2 . . . . 93 VAL HG2 . 15172 2 574 . 1 1 93 93 VAL HG22 H 1 1.09 0.01 . 2 . . . . 93 VAL HG2 . 15172 2 575 . 1 1 93 93 VAL HG23 H 1 1.09 0.01 . 2 . . . . 93 VAL HG2 . 15172 2 576 . 1 1 94 94 ARG H H 1 7.71 0.01 . 1 . . . . 94 ARG HN . 15172 2 577 . 1 1 94 94 ARG HA H 1 4.23 0.01 . 1 . . . . 94 ARG HA . 15172 2 578 . 1 1 94 94 ARG HB2 H 1 2.08 0.01 . 1 . . . . 94 ARG HB2 . 15172 2 579 . 1 1 94 94 ARG HB3 H 1 2.08 0.01 . 1 . . . . 94 ARG HB3 . 15172 2 580 . 1 1 94 94 ARG HG2 H 1 1.90 0.01 . 1 . . . . 94 ARG HG2 . 15172 2 581 . 1 1 94 94 ARG HG3 H 1 1.90 0.01 . 1 . . . . 94 ARG HG3 . 15172 2 582 . 1 1 94 94 ARG HD2 H 1 3.32 0.01 . 1 . . . . 94 ARG HD2 . 15172 2 583 . 1 1 94 94 ARG HD3 H 1 3.32 0.01 . 1 . . . . 94 ARG HD3 . 15172 2 584 . 1 1 95 95 THR H H 1 8.23 0.01 . 1 . . . . 95 THR HN . 15172 2 585 . 1 1 95 95 THR HA H 1 4.08 0.01 . 1 . . . . 95 THR HA . 15172 2 586 . 1 1 95 95 THR HB H 1 4.40 0.01 . 1 . . . . 95 THR HB . 15172 2 587 . 1 1 95 95 THR HG21 H 1 1.40 0.01 . 1 . . . . 95 THR HG2 . 15172 2 588 . 1 1 95 95 THR HG22 H 1 1.40 0.01 . 1 . . . . 95 THR HG2 . 15172 2 589 . 1 1 95 95 THR HG23 H 1 1.40 0.01 . 1 . . . . 95 THR HG2 . 15172 2 590 . 1 1 96 96 TYR H H 1 8.98 0.01 . 1 . . . . 96 TYR HN . 15172 2 591 . 1 1 96 96 TYR HA H 1 3.96 0.01 . 1 . . . . 96 TYR HA . 15172 2 592 . 1 1 96 96 TYR HB2 H 1 2.93 0.01 . 2 . . . . 96 TYR HB2 . 15172 2 593 . 1 1 96 96 TYR HB3 H 1 3.17 0.01 . 2 . . . . 96 TYR HB3 . 15172 2 594 . 1 1 96 96 TYR HD1 H 1 6.94 0.01 . 1 . . . . 96 TYR HD1 . 15172 2 595 . 1 1 96 96 TYR HD2 H 1 6.94 0.01 . 1 . . . . 96 TYR HD2 . 15172 2 596 . 1 1 96 96 TYR HE1 H 1 6.69 0.01 . 1 . . . . 96 TYR HE1 . 15172 2 597 . 1 1 96 96 TYR HE2 H 1 6.69 0.01 . 1 . . . . 96 TYR HE2 . 15172 2 598 . 1 1 97 97 ASN H H 1 9.03 0.01 . 1 . . . . 97 ASN HN . 15172 2 599 . 1 1 97 97 ASN HA H 1 4.30 0.01 . 1 . . . . 97 ASN HA . 15172 2 600 . 1 1 97 97 ASN HB2 H 1 2.88 0.01 . 2 . . . . 97 ASN HB2 . 15172 2 601 . 1 1 97 97 ASN HB3 H 1 3.10 0.01 . 2 . . . . 97 ASN HB3 . 15172 2 602 . 1 1 97 97 ASN HD21 H 1 7.74 0.01 . 2 . . . . 97 ASN HD21 . 15172 2 603 . 1 1 97 97 ASN HD22 H 1 7.07 0.01 . 2 . . . . 97 ASN HD22 . 15172 2 604 . 1 1 98 98 ASP H H 1 8.38 0.01 . 1 . . . . 98 ASP HN . 15172 2 605 . 1 1 98 98 ASP HA H 1 4.48 0.01 . 1 . . . . 98 ASP HA . 15172 2 606 . 1 1 98 98 ASP HB2 H 1 2.83 0.01 . 2 . . . . 98 ASP HB2 . 15172 2 607 . 1 1 98 98 ASP HB3 H 1 2.94 0.01 . 2 . . . . 98 ASP HB3 . 15172 2 608 . 1 1 99 99 PHE H H 1 8.06 0.01 . 1 . . . . 99 PHE HN . 15172 2 609 . 1 1 99 99 PHE HA H 1 4.33 0.01 . 1 . . . . 99 PHE HA . 15172 2 610 . 1 1 99 99 PHE HB2 H 1 3.12 0.01 . 2 . . . . 99 PHE HB2 . 15172 2 611 . 1 1 99 99 PHE HB3 H 1 3.33 0.01 . 2 . . . . 99 PHE HB3 . 15172 2 612 . 1 1 99 99 PHE HD1 H 1 6.93 0.01 . 1 . . . . 99 PHE HD1 . 15172 2 613 . 1 1 99 99 PHE HD2 H 1 6.93 0.01 . 1 . . . . 99 PHE HD2 . 15172 2 614 . 1 1 99 99 PHE HE1 H 1 6.90 0.01 . 1 . . . . 99 PHE HE1 . 15172 2 615 . 1 1 99 99 PHE HE2 H 1 6.90 0.01 . 1 . . . . 99 PHE HE2 . 15172 2 616 . 1 1 99 99 PHE HZ H 1 6.72 0.01 . 1 . . . . 99 PHE HZ . 15172 2 617 . 1 1 100 100 ILE H H 1 8.20 0.01 . 1 . . . . 100 ILE HN . 15172 2 618 . 1 1 100 100 ILE HA H 1 3.16 0.01 . 1 . . . . 100 ILE HA . 15172 2 619 . 1 1 100 100 ILE HB H 1 1.73 0.01 . 1 . . . . 100 ILE HB . 15172 2 620 . 1 1 100 100 ILE HG12 H 1 0.48 0.01 . 2 . . . . 100 ILE HG12 . 15172 2 621 . 1 1 100 100 ILE HG13 H 1 0.90 0.01 . 2 . . . . 100 ILE HG13 . 15172 2 622 . 1 1 100 100 ILE HG21 H 1 0.21 0.01 . 1 . . . . 100 ILE HG2 . 15172 2 623 . 1 1 100 100 ILE HG22 H 1 0.21 0.01 . 1 . . . . 100 ILE HG2 . 15172 2 624 . 1 1 100 100 ILE HG23 H 1 0.21 0.01 . 1 . . . . 100 ILE HG2 . 15172 2 625 . 1 1 100 100 ILE HD11 H 1 0.03 0.01 . 1 . . . . 100 ILE HD1 . 15172 2 626 . 1 1 100 100 ILE HD12 H 1 0.03 0.01 . 1 . . . . 100 ILE HD1 . 15172 2 627 . 1 1 100 100 ILE HD13 H 1 0.03 0.01 . 1 . . . . 100 ILE HD1 . 15172 2 628 . 1 1 101 101 GLU H H 1 8.37 0.01 . 1 . . . . 101 GLU HN . 15172 2 629 . 1 1 101 101 GLU HA H 1 3.98 0.01 . 1 . . . . 101 GLU HA . 15172 2 630 . 1 1 101 101 GLU HB2 H 1 1.98 0.01 . 2 . . . . 101 GLU HB2 . 15172 2 631 . 1 1 101 101 GLU HB3 H 1 2.15 0.01 . 2 . . . . 101 GLU HB3 . 15172 2 632 . 1 1 102 102 LYS H H 1 8.29 0.01 . 1 . . . . 102 LYS HN . 15172 2 633 . 1 1 102 102 LYS HA H 1 4.10 0.01 . 1 . . . . 102 LYS HA . 15172 2 634 . 1 1 102 102 LYS HB2 H 1 1.91 0.01 . 2 . . . . 102 LYS HB2 . 15172 2 635 . 1 1 102 102 LYS HB3 H 1 2.03 0.01 . 2 . . . . 102 LYS HB3 . 15172 2 636 . 1 1 102 102 LYS HG2 H 1 1.61 0.01 . 1 . . . . 102 LYS HG2 . 15172 2 637 . 1 1 102 102 LYS HG3 H 1 1.61 0.01 . 1 . . . . 102 LYS HG3 . 15172 2 638 . 1 1 102 102 LYS HD2 H 1 1.72 0.01 . 1 . . . . 102 LYS HD2 . 15172 2 639 . 1 1 102 102 LYS HD3 H 1 1.72 0.01 . 1 . . . . 102 LYS HD3 . 15172 2 640 . 1 1 102 102 LYS HE2 H 1 3.08 0.01 . 1 . . . . 102 LYS HE2 . 15172 2 641 . 1 1 102 102 LYS HE3 H 1 3.08 0.01 . 1 . . . . 102 LYS HE3 . 15172 2 642 . 1 1 103 103 LEU H H 1 7.91 0.01 . 1 . . . . 103 LEU HN . 15172 2 643 . 1 1 103 103 LEU HA H 1 4.16 0.01 . 1 . . . . 103 LEU HA . 15172 2 644 . 1 1 103 103 LEU HB2 H 1 1.01 0.01 . 2 . . . . 103 LEU HB2 . 15172 2 645 . 1 1 103 103 LEU HB3 H 1 1.32 0.01 . 2 . . . . 103 LEU HB3 . 15172 2 646 . 1 1 103 103 LEU HG H 1 1.45 0.01 . 1 . . . . 103 LEU HG . 15172 2 647 . 1 1 103 103 LEU HD11 H 1 0.60 0.01 . 2 . . . . 103 LEU HD1 . 15172 2 648 . 1 1 103 103 LEU HD12 H 1 0.60 0.01 . 2 . . . . 103 LEU HD1 . 15172 2 649 . 1 1 103 103 LEU HD13 H 1 0.60 0.01 . 2 . . . . 103 LEU HD1 . 15172 2 650 . 1 1 103 103 LEU HD21 H 1 0.42 0.01 . 2 . . . . 103 LEU HD2 . 15172 2 651 . 1 1 103 103 LEU HD22 H 1 0.42 0.01 . 2 . . . . 103 LEU HD2 . 15172 2 652 . 1 1 103 103 LEU HD23 H 1 0.42 0.01 . 2 . . . . 103 LEU HD2 . 15172 2 653 . 1 1 104 104 THR H H 1 7.92 0.01 . 1 . . . . 104 THR HN . 15172 2 654 . 1 1 104 104 THR HA H 1 4.47 0.01 . 1 . . . . 104 THR HA . 15172 2 655 . 1 1 104 104 THR HB H 1 3.98 0.01 . 1 . . . . 104 THR HB . 15172 2 656 . 1 1 104 104 THR HG21 H 1 1.09 0.01 . 1 . . . . 104 THR HG2 . 15172 2 657 . 1 1 104 104 THR HG22 H 1 1.09 0.01 . 1 . . . . 104 THR HG2 . 15172 2 658 . 1 1 104 104 THR HG23 H 1 1.09 0.01 . 1 . . . . 104 THR HG2 . 15172 2 659 . 1 1 105 105 GLY H H 1 7.53 0.01 . 1 . . . . 105 GLY HN . 15172 2 660 . 1 1 105 105 GLY HA2 H 1 2.51 0.01 . 2 . . . . 105 GLY HA1 . 15172 2 661 . 1 1 105 105 GLY HA3 H 1 2.77 0.01 . 2 . . . . 105 GLY HA2 . 15172 2 662 . 1 1 106 106 TYR H H 1 7.25 0.01 . 1 . . . . 106 TYR HN . 15172 2 663 . 1 1 106 106 TYR HA H 1 5.08 0.01 . 1 . . . . 106 TYR HA . 15172 2 664 . 1 1 106 106 TYR HB2 H 1 2.81 0.01 . 2 . . . . 106 TYR HB2 . 15172 2 665 . 1 1 106 106 TYR HB3 H 1 2.97 0.01 . 2 . . . . 106 TYR HB3 . 15172 2 666 . 1 1 106 106 TYR HD1 H 1 7.03 0.01 . 1 . . . . 106 TYR HD1 . 15172 2 667 . 1 1 106 106 TYR HD2 H 1 7.03 0.01 . 1 . . . . 106 TYR HD2 . 15172 2 668 . 1 1 106 106 TYR HE1 H 1 6.57 0.01 . 1 . . . . 106 TYR HE1 . 15172 2 669 . 1 1 106 106 TYR HE2 H 1 6.57 0.01 . 1 . . . . 106 TYR HE2 . 15172 2 670 . 1 1 107 107 SER H H 1 9.07 0.01 . 1 . . . . 107 SER HN . 15172 2 671 . 1 1 107 107 SER HA H 1 4.39 0.01 . 1 . . . . 107 SER HA . 15172 2 672 . 1 1 107 107 SER HB2 H 1 3.95 0.01 . 1 . . . . 107 SER HB2 . 15172 2 673 . 1 1 107 107 SER HB3 H 1 3.95 0.01 . 1 . . . . 107 SER HB3 . 15172 2 674 . 1 1 108 108 ALA H H 1 9.06 0.01 . 1 . . . . 108 ALA HN . 15172 2 675 . 1 1 108 108 ALA HA H 1 4.02 0.01 . 1 . . . . 108 ALA HA . 15172 2 676 . 1 1 108 108 ALA HB1 H 1 1.49 0.01 . 1 . . . . 108 ALA HB . 15172 2 677 . 1 1 108 108 ALA HB2 H 1 1.49 0.01 . 1 . . . . 108 ALA HB . 15172 2 678 . 1 1 108 108 ALA HB3 H 1 1.49 0.01 . 1 . . . . 108 ALA HB . 15172 2 679 . 1 1 109 109 LYS H H 1 8.34 0.01 . 1 . . . . 109 LYS HN . 15172 2 680 . 1 1 109 109 LYS HB2 H 1 1.81 0.01 . 2 . . . . 109 LYS HB2 . 15172 2 681 . 1 1 109 109 LYS HB3 H 1 1.92 0.01 . 2 . . . . 109 LYS HB3 . 15172 2 682 . 1 1 109 109 LYS HD2 H 1 1.59 0.01 . 1 . . . . 109 LYS HD2 . 15172 2 683 . 1 1 109 109 LYS HD3 H 1 1.59 0.01 . 1 . . . . 109 LYS HD3 . 15172 2 684 . 1 1 110 110 GLU H H 1 7.79 0.01 . 1 . . . . 110 GLU HN . 15172 2 685 . 1 1 110 110 GLU HA H 1 4.05 0.01 . 1 . . . . 110 GLU HA . 15172 2 686 . 1 1 110 110 GLU HB2 H 1 2.10 0.01 . 1 . . . . 110 GLU HB2 . 15172 2 687 . 1 1 110 110 GLU HB3 H 1 2.10 0.01 . 1 . . . . 110 GLU HB3 . 15172 2 688 . 1 1 110 110 GLU HG2 H 1 2.35 0.01 . 2 . . . . 110 GLU HG2 . 15172 2 689 . 1 1 110 110 GLU HG3 H 1 2.42 0.01 . 2 . . . . 110 GLU HG3 . 15172 2 690 . 1 1 111 111 ARG H H 1 8.32 0.01 . 1 . . . . 111 ARG HN . 15172 2 691 . 1 1 111 111 ARG HA H 1 3.93 0.01 . 1 . . . . 111 ARG HA . 15172 2 692 . 1 1 111 111 ARG HB2 H 1 1.85 0.01 . 2 . . . . 111 ARG HB2 . 15172 2 693 . 1 1 111 111 ARG HB3 H 1 1.95 0.01 . 2 . . . . 111 ARG HB3 . 15172 2 694 . 1 1 112 112 LYS H H 1 7.86 0.01 . 1 . . . . 112 LYS HN . 15172 2 695 . 1 1 112 112 LYS HA H 1 4.14 0.01 . 1 . . . . 112 LYS HA . 15172 2 696 . 1 1 112 112 LYS HB2 H 1 1.84 0.01 . 2 . . . . 112 LYS HB2 . 15172 2 697 . 1 1 112 112 LYS HB3 H 1 1.94 0.01 . 2 . . . . 112 LYS HB3 . 15172 2 698 . 1 1 112 112 LYS HG2 H 1 1.49 0.01 . 1 . . . . 112 LYS HG2 . 15172 2 699 . 1 1 112 112 LYS HG3 H 1 1.49 0.01 . 1 . . . . 112 LYS HG3 . 15172 2 700 . 1 1 112 112 LYS HD2 H 1 1.74 0.01 . 1 . . . . 112 LYS HD2 . 15172 2 701 . 1 1 112 112 LYS HD3 H 1 1.74 0.01 . 1 . . . . 112 LYS HD3 . 15172 2 702 . 1 1 113 113 LYS H H 1 7.58 0.01 . 1 . . . . 113 LYS HN . 15172 2 703 . 1 1 113 113 LYS HA H 1 4.21 0.01 . 1 . . . . 113 LYS HA . 15172 2 704 . 1 1 113 113 LYS HB2 H 1 1.89 0.01 . 2 . . . . 113 LYS HB2 . 15172 2 705 . 1 1 113 113 LYS HB3 H 1 1.97 0.01 . 2 . . . . 113 LYS HB3 . 15172 2 706 . 1 1 113 113 LYS HG2 H 1 1.49 0.01 . 2 . . . . 113 LYS HG2 . 15172 2 707 . 1 1 113 113 LYS HG3 H 1 1.56 0.01 . 2 . . . . 113 LYS HG3 . 15172 2 708 . 1 1 113 113 LYS HD2 H 1 1.74 0.01 . 1 . . . . 113 LYS HD2 . 15172 2 709 . 1 1 113 113 LYS HD3 H 1 1.74 0.01 . 1 . . . . 113 LYS HD3 . 15172 2 710 . 1 1 114 114 MET H H 1 7.76 0.01 . 1 . . . . 114 MET HN . 15172 2 711 . 1 1 114 114 MET HA H 1 4.33 0.01 . 1 . . . . 114 MET HA . 15172 2 712 . 1 1 114 114 MET HB2 H 1 2.02 0.01 . 2 . . . . 114 MET HB2 . 15172 2 713 . 1 1 114 114 MET HB3 H 1 2.10 0.01 . 2 . . . . 114 MET HB3 . 15172 2 714 . 1 1 114 114 MET HG2 H 1 2.49 0.01 . 2 . . . . 114 MET HG2 . 15172 2 715 . 1 1 114 114 MET HG3 H 1 2.56 0.01 . 2 . . . . 114 MET HG3 . 15172 2 716 . 1 1 115 115 MET H H 1 7.91 0.01 . 1 . . . . 115 MET HN . 15172 2 717 . 1 1 115 115 MET HA H 1 4.53 0.01 . 1 . . . . 115 MET HA . 15172 2 718 . 1 1 115 115 MET HB2 H 1 2.11 0.01 . 2 . . . . 115 MET HB2 . 15172 2 719 . 1 1 115 115 MET HB3 H 1 2.24 0.01 . 2 . . . . 115 MET HB3 . 15172 2 720 . 1 1 115 115 MET HG2 H 1 2.62 0.01 . 2 . . . . 115 MET HG2 . 15172 2 721 . 1 1 115 115 MET HG3 H 1 2.71 0.01 . 2 . . . . 115 MET HG3 . 15172 2 722 . 1 1 116 116 THR H H 1 7.95 0.01 . 1 . . . . 116 THR HN . 15172 2 723 . 1 1 116 116 THR HA H 1 4.40 0.01 . 1 . . . . 116 THR HA . 15172 2 724 . 1 1 116 116 THR HB H 1 4.31 0.01 . 1 . . . . 116 THR HB . 15172 2 725 . 1 1 116 116 THR HG21 H 1 1.26 0.01 . 1 . . . . 116 THR HG2 . 15172 2 726 . 1 1 116 116 THR HG22 H 1 1.26 0.01 . 1 . . . . 116 THR HG2 . 15172 2 727 . 1 1 116 116 THR HG23 H 1 1.26 0.01 . 1 . . . . 116 THR HG2 . 15172 2 728 . 1 1 117 117 LYS H H 1 8.43 0.01 . 1 . . . . 117 LYS HN . 15172 2 729 . 1 1 117 117 LYS HA H 1 4.38 0.01 . 1 . . . . 117 LYS HA . 15172 2 730 . 1 1 117 117 LYS HB2 H 1 1.83 0.01 . 2 . . . . 117 LYS HB2 . 15172 2 731 . 1 1 117 117 LYS HB3 H 1 1.91 0.01 . 2 . . . . 117 LYS HB3 . 15172 2 732 . 1 1 117 117 LYS HG2 H 1 1.48 0.01 . 1 . . . . 117 LYS HG2 . 15172 2 733 . 1 1 117 117 LYS HG3 H 1 1.48 0.01 . 1 . . . . 117 LYS HG3 . 15172 2 734 . 1 1 117 117 LYS HD2 H 1 1.73 0.01 . 1 . . . . 117 LYS HD2 . 15172 2 735 . 1 1 117 117 LYS HD3 H 1 1.73 0.01 . 1 . . . . 117 LYS HD3 . 15172 2 736 . 1 1 117 117 LYS HE2 H 1 3.06 0.01 . 1 . . . . 117 LYS HE2 . 15172 2 737 . 1 1 117 117 LYS HE3 H 1 3.06 0.01 . 1 . . . . 117 LYS HE3 . 15172 2 738 . 1 1 118 118 ASP H H 1 8.39 0.01 . 1 . . . . 118 ASP HN . 15172 2 739 . 1 1 118 118 ASP HA H 1 4.68 0.01 . 1 . . . . 118 ASP HA . 15172 2 740 . 1 1 118 118 ASP HB2 H 1 2.74 0.01 . 1 . . . . 118 ASP HB2 . 15172 2 741 . 1 1 118 118 ASP HB3 H 1 2.74 0.01 . 1 . . . . 118 ASP HB3 . 15172 2 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 14 15172 2 1 17 15172 2 2 15 15172 2 2 16 15172 2 2 18 15172 2 2 19 15172 2 stop_ save_ save_assigned_chem_shift_list_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_3 _Assigned_chem_shift_list.Entry_ID 15172 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 16 '2D 1H-1H COSY' . . . 15172 3 17 '2D 1H-1H TOCSY' . . . 15172 3 18 '2D 1H-1H NOESY' . . . 15172 3 19 '2D 1H-13C HSQC' . . . 15172 3 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 1 $SPARKY . . 15172 3 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HE1 H 1 1.97 0.01 . 5 . . . . 1 MET HE . 15172 3 2 . 1 1 1 1 MET HE2 H 1 1.97 0.01 . 5 . . . . 1 MET HE . 15172 3 3 . 1 1 1 1 MET HE3 H 1 1.97 0.01 . 5 . . . . 1 MET HE . 15172 3 4 . 1 1 1 1 MET CE C 13 25.3 0.1 . 5 . . . . 1 MET CE . 15172 3 5 . 1 1 3 3 THR HA H 1 4.32 0.01 . 1 . . . . 3 THR HA . 15172 3 6 . 1 1 3 3 THR HB H 1 3.92 0.01 . 1 . . . . 3 THR HB . 15172 3 7 . 1 1 3 3 THR HG21 H 1 1.61 0.01 . 1 . . . . 3 THR HG2 . 15172 3 8 . 1 1 3 3 THR HG22 H 1 1.61 0.01 . 1 . . . . 3 THR HG2 . 15172 3 9 . 1 1 3 3 THR HG23 H 1 1.61 0.01 . 1 . . . . 3 THR HG2 . 15172 3 10 . 1 1 3 3 THR CA C 13 59.4 0.1 . 1 . . . . 3 THR CA . 15172 3 11 . 1 1 3 3 THR CB C 13 64.1 0.1 . 1 . . . . 3 THR CB . 15172 3 12 . 1 1 15 15 GLU HA H 1 4.25 0.01 . 1 . . . . 15 GLU HA . 15172 3 13 . 1 1 15 15 GLU HB2 H 1 1.99 0.01 . 2 . . . . 15 GLU HB2 . 15172 3 14 . 1 1 15 15 GLU HB3 H 1 2.08 0.01 . 2 . . . . 15 GLU HB3 . 15172 3 15 . 1 1 15 15 GLU CA C 13 56.4 0.1 . 1 . . . . 15 GLU CA . 15172 3 16 . 1 1 15 15 GLU CB C 13 29.2 0.1 . 1 . . . . 15 GLU CB . 15172 3 17 . 1 1 16 16 ASN HA H 1 4.69 0.01 . 1 . . . . 16 ASN HA . 15172 3 18 . 1 1 16 16 ASN HB2 H 1 2.73 0.01 . 2 . . . . 16 ASN HB2 . 15172 3 19 . 1 1 16 16 ASN HB3 H 1 2.82 0.01 . 2 . . . . 16 ASN HB3 . 15172 3 20 . 1 1 16 16 ASN CA C 13 53.3 0.1 . 1 . . . . 16 ASN CA . 15172 3 21 . 1 1 16 16 ASN CB C 13 38.0 0.1 . 1 . . . . 16 ASN CB . 15172 3 22 . 1 1 17 17 LEU HD11 H 1 0.81 0.01 . 2 . . . . 17 LEU HD1 . 15172 3 23 . 1 1 17 17 LEU HD12 H 1 0.81 0.01 . 2 . . . . 17 LEU HD1 . 15172 3 24 . 1 1 17 17 LEU HD13 H 1 0.81 0.01 . 2 . . . . 17 LEU HD1 . 15172 3 25 . 1 1 17 17 LEU HD21 H 1 0.86 0.01 . 2 . . . . 17 LEU HD2 . 15172 3 26 . 1 1 17 17 LEU HD22 H 1 0.86 0.01 . 2 . . . . 17 LEU HD2 . 15172 3 27 . 1 1 17 17 LEU HD23 H 1 0.86 0.01 . 2 . . . . 17 LEU HD2 . 15172 3 28 . 1 1 17 17 LEU CD1 C 13 22.7 0.1 . 1 . . . . 17 LEU CD1 . 15172 3 29 . 1 1 17 17 LEU CD2 C 13 23.2 0.1 . 1 . . . . 17 LEU CD2 . 15172 3 30 . 1 1 18 18 TYR HD1 H 1 7.03 0.01 . 1 . . . . 18 TYR HD1 . 15172 3 31 . 1 1 18 18 TYR HD2 H 1 7.03 0.01 . 1 . . . . 18 TYR HD2 . 15172 3 32 . 1 1 18 18 TYR HE1 H 1 6.79 0.01 . 1 . . . . 18 TYR HE1 . 15172 3 33 . 1 1 18 18 TYR HE2 H 1 6.79 0.01 . 1 . . . . 18 TYR HE2 . 15172 3 34 . 1 1 19 19 PHE HA H 1 4.50 0.01 . 1 . . . . 19 PHE HA . 15172 3 35 . 1 1 19 19 PHE HB2 H 1 3.03 0.01 . 1 . . . . 19 PHE HB2 . 15172 3 36 . 1 1 19 19 PHE HB3 H 1 3.03 0.01 . 1 . . . . 19 PHE HB3 . 15172 3 37 . 1 1 19 19 PHE HD1 H 1 7.17 0.01 . 1 . . . . 19 PHE HD1 . 15172 3 38 . 1 1 19 19 PHE HD2 H 1 7.17 0.01 . 1 . . . . 19 PHE HD2 . 15172 3 39 . 1 1 19 19 PHE HE1 H 1 7.25 0.01 . 1 . . . . 19 PHE HE1 . 15172 3 40 . 1 1 19 19 PHE HE2 H 1 7.25 0.01 . 1 . . . . 19 PHE HE2 . 15172 3 41 . 1 1 22 22 HIS HA H 1 4.73 0.01 . 1 . . . . 22 HIS HA . 15172 3 42 . 1 1 22 22 HIS HB2 H 1 3.07 0.01 . 2 . . . . 22 HIS HB2 . 15172 3 43 . 1 1 22 22 HIS HB3 H 1 3.23 0.01 . 2 . . . . 22 HIS HB3 . 15172 3 44 . 1 1 23 23 MET HA H 1 4.73 0.01 . 1 . . . . 23 MET HA . 15172 3 45 . 1 1 23 23 MET HG3 H 1 2.49 0.01 . 2 . . . . 23 MET HG3 . 15172 3 46 . 1 1 24 24 ARG HA H 1 4.54 0.01 . 1 . . . . 24 ARG HA . 15172 3 47 . 1 1 24 24 ARG HB3 H 1 1.78 0.01 . 2 . . . . 24 ARG HB3 . 15172 3 48 . 1 1 25 25 GLU HA H 1 5.09 0.01 . 1 . . . . 25 GLU HA . 15172 3 49 . 1 1 25 25 GLU HB2 H 1 1.84 0.01 . 1 . . . . 25 GLU HB2 . 15172 3 50 . 1 1 25 25 GLU HB3 H 1 1.84 0.01 . 1 . . . . 25 GLU HB3 . 15172 3 51 . 1 1 25 25 GLU HG2 H 1 2.03 0.01 . 2 . . . . 25 GLU HG2 . 15172 3 52 . 1 1 25 25 GLU HG3 H 1 2.14 0.01 . 2 . . . . 25 GLU HG3 . 15172 3 53 . 1 1 26 26 TYR H H 1 9.10 0.01 . 1 . . . . 26 TYR HN . 15172 3 54 . 1 1 26 26 TYR HA H 1 5.08 0.01 . 1 . . . . 26 TYR HA . 15172 3 55 . 1 1 26 26 TYR HB2 H 1 2.61 0.01 . 2 . . . . 26 TYR HB2 . 15172 3 56 . 1 1 26 26 TYR HB3 H 1 3.39 0.01 . 2 . . . . 26 TYR HB3 . 15172 3 57 . 1 1 26 26 TYR HD1 H 1 7.00 0.01 . 1 . . . . 26 TYR HD1 . 15172 3 58 . 1 1 26 26 TYR HD2 H 1 7.00 0.01 . 1 . . . . 26 TYR HD2 . 15172 3 59 . 1 1 26 26 TYR HE1 H 1 6.74 0.01 . 1 . . . . 26 TYR HE1 . 15172 3 60 . 1 1 26 26 TYR HE2 H 1 6.74 0.01 . 1 . . . . 26 TYR HE2 . 15172 3 61 . 1 1 27 27 PRO HA H 1 4.73 0.01 . 1 . . . . 27 PRO HA . 15172 3 62 . 1 1 27 27 PRO HB3 H 1 2.38 0.01 . 2 . . . . 27 PRO HB3 . 15172 3 63 . 1 1 27 27 PRO HD2 H 1 3.81 0.01 . 1 . . . . 27 PRO HD2 . 15172 3 64 . 1 1 27 27 PRO HD3 H 1 3.81 0.01 . 1 . . . . 27 PRO HD3 . 15172 3 65 . 1 1 28 28 VAL H H 1 7.76 0.01 . 1 . . . . 28 VAL HN . 15172 3 66 . 1 1 28 28 VAL HB H 1 1.54 0.01 . 1 . . . . 28 VAL HB . 15172 3 67 . 1 1 28 28 VAL HG11 H 1 0.95 0.01 . 2 . . . . 28 VAL HG1 . 15172 3 68 . 1 1 28 28 VAL HG12 H 1 0.95 0.01 . 2 . . . . 28 VAL HG1 . 15172 3 69 . 1 1 28 28 VAL HG13 H 1 0.95 0.01 . 2 . . . . 28 VAL HG1 . 15172 3 70 . 1 1 28 28 VAL HG21 H 1 0.86 0.01 . 2 . . . . 28 VAL HG2 . 15172 3 71 . 1 1 28 28 VAL HG22 H 1 0.86 0.01 . 2 . . . . 28 VAL HG2 . 15172 3 72 . 1 1 28 28 VAL HG23 H 1 0.86 0.01 . 2 . . . . 28 VAL HG2 . 15172 3 73 . 1 1 28 28 VAL CG1 C 13 21.8 0.1 . 1 . . . . 28 VAL CG1 . 15172 3 74 . 1 1 28 28 VAL CG2 C 13 21.0 0.1 . 1 . . . . 28 VAL CG2 . 15172 3 75 . 1 1 29 29 LYS HA H 1 3.86 0.01 . 1 . . . . 29 LYS HA . 15172 3 76 . 1 1 29 29 LYS HB2 H 1 0.41 0.01 . 2 . . . . 29 LYS HB2 . 15172 3 77 . 1 1 29 29 LYS HB3 H 1 1.26 0.01 . 2 . . . . 29 LYS HB3 . 15172 3 78 . 1 1 29 29 LYS HG2 H 1 1.01 0.01 . 2 . . . . 29 LYS HG2 . 15172 3 79 . 1 1 29 29 LYS HG3 H 1 1.60 0.01 . 2 . . . . 29 LYS HG3 . 15172 3 80 . 1 1 29 29 LYS HD2 H 1 1.10 0.01 . 2 . . . . 29 LYS HD2 . 15172 3 81 . 1 1 29 29 LYS HE2 H 1 2.41 0.01 . 2 . . . . 29 LYS HE2 . 15172 3 82 . 1 1 29 29 LYS HE3 H 1 2.71 0.01 . 2 . . . . 29 LYS HE3 . 15172 3 83 . 1 1 31 31 GLY HA2 H 1 4.39 0.01 . 2 . . . . 31 GLY HA1 . 15172 3 84 . 1 1 31 31 GLY HA3 H 1 3.61 0.01 . 2 . . . . 31 GLY HA2 . 15172 3 85 . 1 1 32 32 PHE HA H 1 4.51 0.01 . 1 . . . . 32 PHE HA . 15172 3 86 . 1 1 32 32 PHE HB2 H 1 2.89 0.01 . 2 . . . . 32 PHE HB2 . 15172 3 87 . 1 1 32 32 PHE HB3 H 1 3.47 0.01 . 2 . . . . 32 PHE HB3 . 15172 3 88 . 1 1 32 32 PHE HD1 H 1 7.05 0.01 . 1 . . . . 32 PHE HD1 . 15172 3 89 . 1 1 32 32 PHE HD2 H 1 7.05 0.01 . 1 . . . . 32 PHE HD2 . 15172 3 90 . 1 1 32 32 PHE HE1 H 1 7.29 0.01 . 1 . . . . 32 PHE HE1 . 15172 3 91 . 1 1 32 32 PHE HE2 H 1 7.29 0.01 . 1 . . . . 32 PHE HE2 . 15172 3 92 . 1 1 32 32 PHE HZ H 1 7.33 0.01 . 1 . . . . 32 PHE HZ . 15172 3 93 . 1 1 33 33 PRO HG2 H 1 2.14 0.01 . 1 . . . . 33 PRO HG2 . 15172 3 94 . 1 1 33 33 PRO HG3 H 1 2.14 0.01 . 1 . . . . 33 PRO HG3 . 15172 3 95 . 1 1 33 33 PRO HD2 H 1 3.70 0.01 . 2 . . . . 33 PRO HD2 . 15172 3 96 . 1 1 33 33 PRO HD3 H 1 4.13 0.01 . 2 . . . . 33 PRO HD3 . 15172 3 97 . 1 1 34 34 THR HA H 1 4.58 0.01 . 1 . . . . 34 THR HA . 15172 3 98 . 1 1 34 34 THR HB H 1 4.66 0.01 . 1 . . . . 34 THR HB . 15172 3 99 . 1 1 34 34 THR HG21 H 1 1.17 0.01 . 1 . . . . 34 THR HG2 . 15172 3 100 . 1 1 34 34 THR HG22 H 1 1.17 0.01 . 1 . . . . 34 THR HG2 . 15172 3 101 . 1 1 34 34 THR HG23 H 1 1.17 0.01 . 1 . . . . 34 THR HG2 . 15172 3 102 . 1 1 34 34 THR CA C 13 59.6 0.1 . 1 . . . . 34 THR CA . 15172 3 103 . 1 1 34 34 THR CB C 13 69.4 0.1 . 1 . . . . 34 THR CB . 15172 3 104 . 1 1 34 34 THR CG2 C 13 21.7 0.1 . 1 . . . . 34 THR CG2 . 15172 3 105 . 1 1 35 35 ASP HA H 1 5.01 0.01 . 1 . . . . 35 ASP HA . 15172 3 106 . 1 1 35 35 ASP HB2 H 1 2.80 0.01 . 2 . . . . 35 ASP HB2 . 15172 3 107 . 1 1 35 35 ASP HB3 H 1 3.05 0.01 . 2 . . . . 35 ASP HB3 . 15172 3 108 . 1 1 35 35 ASP CA C 13 51.7 0.1 . 1 . . . . 35 ASP CA . 15172 3 109 . 1 1 35 35 ASP CB C 13 42.2 0.1 . 1 . . . . 35 ASP CB . 15172 3 110 . 1 1 36 36 TYR HA H 1 3.84 0.01 . 1 . . . . 36 TYR HA . 15172 3 111 . 1 1 36 36 TYR HB2 H 1 3.09 0.01 . 2 . . . . 36 TYR HB2 . 15172 3 112 . 1 1 36 36 TYR HB3 H 1 3.17 0.01 . 2 . . . . 36 TYR HB3 . 15172 3 113 . 1 1 36 36 TYR HD1 H 1 7.28 0.01 . 1 . . . . 36 TYR HD1 . 15172 3 114 . 1 1 36 36 TYR HD2 H 1 7.28 0.01 . 1 . . . . 36 TYR HD2 . 15172 3 115 . 1 1 36 36 TYR HE1 H 1 6.87 0.01 . 1 . . . . 36 TYR HE1 . 15172 3 116 . 1 1 36 36 TYR HE2 H 1 6.87 0.01 . 1 . . . . 36 TYR HE2 . 15172 3 117 . 1 1 37 37 ASP HA H 1 4.43 0.01 . 1 . . . . 37 ASP HA . 15172 3 118 . 1 1 37 37 ASP HB2 H 1 2.71 0.01 . 2 . . . . 37 ASP HB2 . 15172 3 119 . 1 1 37 37 ASP HB3 H 1 2.80 0.01 . 2 . . . . 37 ASP HB3 . 15172 3 120 . 1 1 37 37 ASP CA C 13 57.4 0.1 . 1 . . . . 37 ASP CA . 15172 3 121 . 1 1 37 37 ASP CB C 13 40.0 0.1 . 1 . . . . 37 ASP CB . 15172 3 122 . 1 1 38 38 SER HA H 1 4.23 0.01 . 1 . . . . 38 SER HA . 15172 3 123 . 1 1 38 38 SER HB2 H 1 3.90 0.01 . 2 . . . . 38 SER HB3 . 15172 3 124 . 1 1 38 38 SER HB3 H 1 3.85 0.01 . 2 . . . . 38 SER HB3 . 15172 3 125 . 1 1 39 39 ILE H H 1 8.42 0.01 . 1 . . . . 39 ILE HN . 15172 3 126 . 1 1 39 39 ILE HA H 1 3.58 0.01 . 1 . . . . 39 ILE HA . 15172 3 127 . 1 1 39 39 ILE HB H 1 1.73 0.01 . 1 . . . . 39 ILE HB . 15172 3 128 . 1 1 39 39 ILE HG12 H 1 0.94 0.01 . 2 . . . . 39 ILE HG12 . 15172 3 129 . 1 1 39 39 ILE HG13 H 1 1.60 0.01 . 2 . . . . 39 ILE HG13 . 15172 3 130 . 1 1 39 39 ILE HG21 H 1 0.82 0.01 . 1 . . . . 39 ILE HG2 . 15172 3 131 . 1 1 39 39 ILE HG22 H 1 0.82 0.01 . 1 . . . . 39 ILE HG2 . 15172 3 132 . 1 1 39 39 ILE HG23 H 1 0.82 0.01 . 1 . . . . 39 ILE HG2 . 15172 3 133 . 1 1 39 39 ILE HD11 H 1 0.54 0.01 . 1 . . . . 39 ILE HD1 . 15172 3 134 . 1 1 39 39 ILE HD12 H 1 0.54 0.01 . 1 . . . . 39 ILE HD1 . 15172 3 135 . 1 1 39 39 ILE HD13 H 1 0.54 0.01 . 1 . . . . 39 ILE HD1 . 15172 3 136 . 1 1 39 39 ILE CG2 C 13 17.5 0.1 . 1 . . . . 39 ILE CG2 . 15172 3 137 . 1 1 39 39 ILE CD1 C 13 12.9 0.1 . 1 . . . . 39 ILE CD1 . 15172 3 138 . 1 1 40 40 LYS H H 1 8.10 0.01 . 1 . . . . 40 LYS HN . 15172 3 139 . 1 1 40 40 LYS HA H 1 3.80 0.01 . 1 . . . . 40 LYS HA . 15172 3 140 . 1 1 40 40 LYS HB2 H 1 1.89 0.01 . 2 . . . . 40 LYS HB2 . 15172 3 141 . 1 1 40 40 LYS HB3 H 1 1.98 0.01 . 2 . . . . 40 LYS HB3 . 15172 3 142 . 1 1 40 40 LYS HG2 H 1 1.35 0.01 . 1 . . . . 40 LYS HG2 . 15172 3 143 . 1 1 40 40 LYS HG3 H 1 1.35 0.01 . 1 . . . . 40 LYS HG3 . 15172 3 144 . 1 1 40 40 LYS HD2 H 1 1.71 0.01 . 1 . . . . 40 LYS HD2 . 15172 3 145 . 1 1 40 40 LYS HD3 H 1 1.71 0.01 . 1 . . . . 40 LYS HD3 . 15172 3 146 . 1 1 41 41 ARG HA H 1 4.07 0.01 . 1 . . . . 41 ARG HA . 15172 3 147 . 1 1 41 41 ARG HB2 H 1 1.83 0.01 . 2 . . . . 41 ARG HB2 . 15172 3 148 . 1 1 41 41 ARG HB3 H 1 1.93 0.01 . 2 . . . . 41 ARG HB3 . 15172 3 149 . 1 1 41 41 ARG HG2 H 1 1.63 0.01 . 2 . . . . 41 ARG HG2 . 15172 3 150 . 1 1 41 41 ARG HG3 H 1 1.83 0.01 . 2 . . . . 41 ARG HG3 . 15172 3 151 . 1 1 41 41 ARG HD2 H 1 3.25 0.01 . 2 . . . . 41 ARG HD2 . 15172 3 152 . 1 1 41 41 ARG HD3 H 1 3.28 0.01 . 2 . . . . 41 ARG HD3 . 15172 3 153 . 1 1 42 42 LYS H H 1 8.01 0.01 . 1 . . . . 42 LYS HN . 15172 3 154 . 1 1 42 42 LYS HA H 1 4.22 0.01 . 1 . . . . 42 LYS HA . 15172 3 155 . 1 1 42 42 LYS HB3 H 1 1.99 0.01 . 2 . . . . 42 LYS HB3 . 15172 3 156 . 1 1 43 43 ILE H H 1 8.23 0.01 . 1 . . . . 43 ILE HN . 15172 3 157 . 1 1 43 43 ILE HA H 1 3.70 0.01 . 1 . . . . 43 ILE HA . 15172 3 158 . 1 1 43 43 ILE HB H 1 1.98 0.01 . 1 . . . . 43 ILE HB . 15172 3 159 . 1 1 43 43 ILE HG21 H 1 1.15 0.01 . 1 . . . . 43 ILE HG2 . 15172 3 160 . 1 1 43 43 ILE HG22 H 1 1.15 0.01 . 1 . . . . 43 ILE HG2 . 15172 3 161 . 1 1 43 43 ILE HG23 H 1 1.15 0.01 . 1 . . . . 43 ILE HG2 . 15172 3 162 . 1 1 43 43 ILE HD11 H 1 0.91 0.01 . 1 . . . . 43 ILE HD1 . 15172 3 163 . 1 1 43 43 ILE HD12 H 1 0.91 0.01 . 1 . . . . 43 ILE HD1 . 15172 3 164 . 1 1 43 43 ILE HD13 H 1 0.91 0.01 . 1 . . . . 43 ILE HD1 . 15172 3 165 . 1 1 43 43 ILE CG2 C 13 19.1 0.1 . 1 . . . . 43 ILE CG2 . 15172 3 166 . 1 1 43 43 ILE CD1 C 13 15.1 0.1 . 1 . . . . 43 ILE CD1 . 15172 3 167 . 1 1 44 44 SER HA H 1 4.67 0.01 . 1 . . . . 44 SER HA . 15172 3 168 . 1 1 44 44 SER HB2 H 1 4.07 0.01 . 1 . . . . 44 SER HB2 . 15172 3 169 . 1 1 44 44 SER HB3 H 1 4.07 0.01 . 1 . . . . 44 SER HB3 . 15172 3 170 . 1 1 45 45 GLU HA H 1 4.07 0.01 . 1 . . . . 45 GLU HA . 15172 3 171 . 1 1 45 45 GLU HB2 H 1 2.22 0.01 . 2 . . . . 45 GLU HB2 . 15172 3 172 . 1 1 45 45 GLU HB3 H 1 2.36 0.01 . 2 . . . . 45 GLU HB3 . 15172 3 173 . 1 1 45 45 GLU HG2 H 1 2.28 0.01 . 2 . . . . 45 GLU HG2 . 15172 3 174 . 1 1 45 45 GLU HG3 H 1 2.54 0.01 . 2 . . . . 45 GLU HG3 . 15172 3 175 . 1 1 47 47 GLY HA2 H 1 3.95 0.01 . 2 . . . . 47 GLY HA1 . 15172 3 176 . 1 1 47 47 GLY HA3 H 1 3.68 0.01 . 2 . . . . 47 GLY HA2 . 15172 3 177 . 1 1 48 48 PHE HA H 1 5.22 0.01 . 1 . . . . 48 PHE HA . 15172 3 178 . 1 1 48 48 PHE HB2 H 1 2.73 0.01 . 2 . . . . 48 PHE HB2 . 15172 3 179 . 1 1 48 48 PHE HB3 H 1 3.63 0.01 . 2 . . . . 48 PHE HB3 . 15172 3 180 . 1 1 48 48 PHE HD1 H 1 7.27 0.01 . 1 . . . . 48 PHE HD1 . 15172 3 181 . 1 1 48 48 PHE HD2 H 1 7.27 0.01 . 1 . . . . 48 PHE HD2 . 15172 3 182 . 1 1 48 48 PHE HE1 H 1 7.37 0.01 . 1 . . . . 48 PHE HE1 . 15172 3 183 . 1 1 48 48 PHE HE2 H 1 7.37 0.01 . 1 . . . . 48 PHE HE2 . 15172 3 184 . 1 1 48 48 PHE HZ H 1 7.42 0.01 . 1 . . . . 48 PHE HZ . 15172 3 185 . 1 1 50 50 VAL HA H 1 5.42 0.01 . 1 . . . . 50 VAL HA . 15172 3 186 . 1 1 50 50 VAL HB H 1 2.11 0.01 . 1 . . . . 50 VAL HB . 15172 3 187 . 1 1 50 50 VAL HG11 H 1 1.05 0.01 . 2 . . . . 50 VAL HG1 . 15172 3 188 . 1 1 50 50 VAL HG12 H 1 1.05 0.01 . 2 . . . . 50 VAL HG1 . 15172 3 189 . 1 1 50 50 VAL HG13 H 1 1.05 0.01 . 2 . . . . 50 VAL HG1 . 15172 3 190 . 1 1 50 50 VAL HG21 H 1 1.06 0.01 . 2 . . . . 50 VAL HG2 . 15172 3 191 . 1 1 50 50 VAL HG22 H 1 1.06 0.01 . 2 . . . . 50 VAL HG2 . 15172 3 192 . 1 1 50 50 VAL HG23 H 1 1.06 0.01 . 2 . . . . 50 VAL HG2 . 15172 3 193 . 1 1 50 50 VAL CA C 13 58.6 0.1 . 1 . . . . 50 VAL CA . 15172 3 194 . 1 1 50 50 VAL CG1 C 13 22.2 0.1 . 1 . . . . 50 VAL CG1 . 15172 3 195 . 1 1 50 50 VAL CG2 C 13 23.5 0.1 . 1 . . . . 50 VAL CG2 . 15172 3 196 . 1 1 51 51 LYS HA H 1 4.85 0.01 . 1 . . . . 51 LYS HA . 15172 3 197 . 1 1 51 51 LYS CA C 13 54.0 0.1 . 1 . . . . 51 LYS CA . 15172 3 198 . 1 1 52 52 SER HA H 1 5.16 0.01 . 1 . . . . 52 SER HA . 15172 3 199 . 1 1 52 52 SER HB2 H 1 3.86 0.01 . 2 . . . . 52 SER HB2 . 15172 3 200 . 1 1 52 52 SER HB3 H 1 4.00 0.01 . 2 . . . . 52 SER HB3 . 15172 3 201 . 1 1 52 52 SER CA C 13 58.0 0.1 . 1 . . . . 52 SER CA . 15172 3 202 . 1 1 53 53 GLU HA H 1 4.54 0.01 . 1 . . . . 53 GLU HA . 15172 3 203 . 1 1 53 53 GLU HB2 H 1 1.86 0.01 . 2 . . . . 53 GLU HB2 . 15172 3 204 . 1 1 53 53 GLU HB3 H 1 2.03 0.01 . 2 . . . . 53 GLU HB3 . 15172 3 205 . 1 1 53 53 GLU HG2 H 1 2.18 0.01 . 1 . . . . 53 GLU HG2 . 15172 3 206 . 1 1 53 53 GLU HG3 H 1 2.18 0.01 . 1 . . . . 53 GLU HG3 . 15172 3 207 . 1 1 55 55 ASP HA H 1 4.64 0.01 . 1 . . . . 55 ASP HA . 15172 3 208 . 1 1 55 55 ASP HB2 H 1 2.79 0.01 . 2 . . . . 55 ASP HB2 . 15172 3 209 . 1 1 55 55 ASP HB3 H 1 2.92 0.01 . 2 . . . . 55 ASP HB3 . 15172 3 210 . 1 1 55 55 ASP CA C 13 53.3 0.1 . 1 . . . . 55 ASP CA . 15172 3 211 . 1 1 56 56 LEU HA H 1 5.09 0.01 . 1 . . . . 56 LEU HA . 15172 3 212 . 1 1 56 56 LEU HB2 H 1 1.36 0.01 . 2 . . . . 56 LEU HB2 . 15172 3 213 . 1 1 56 56 LEU HB3 H 1 2.12 0.01 . 2 . . . . 56 LEU HB3 . 15172 3 214 . 1 1 56 56 LEU HD11 H 1 0.85 0.01 . 2 . . . . 56 LEU HD1 . 15172 3 215 . 1 1 56 56 LEU HD12 H 1 0.85 0.01 . 2 . . . . 56 LEU HD1 . 15172 3 216 . 1 1 56 56 LEU HD13 H 1 0.85 0.01 . 2 . . . . 56 LEU HD1 . 15172 3 217 . 1 1 56 56 LEU HD21 H 1 0.90 0.01 . 2 . . . . 56 LEU HD2 . 15172 3 218 . 1 1 56 56 LEU HD22 H 1 0.90 0.01 . 2 . . . . 56 LEU HD2 . 15172 3 219 . 1 1 56 56 LEU HD23 H 1 0.90 0.01 . 2 . . . . 56 LEU HD2 . 15172 3 220 . 1 1 56 56 LEU CD1 C 13 24.3 0.1 . 1 . . . . 56 LEU CD1 . 15172 3 221 . 1 1 56 56 LEU CD2 C 13 23.6 0.1 . 1 . . . . 56 LEU CD2 . 15172 3 222 . 1 1 57 57 ILE H H 1 9.20 0.01 . 1 . . . . 57 ILE HN . 15172 3 223 . 1 1 57 57 ILE HA H 1 4.40 0.01 . 1 . . . . 57 ILE HA . 15172 3 224 . 1 1 57 57 ILE HB H 1 1.85 0.01 . 1 . . . . 57 ILE HB . 15172 3 225 . 1 1 57 57 ILE HG21 H 1 0.81 0.01 . 1 . . . . 57 ILE HG2 . 15172 3 226 . 1 1 57 57 ILE HG22 H 1 0.81 0.01 . 1 . . . . 57 ILE HG2 . 15172 3 227 . 1 1 57 57 ILE HG23 H 1 0.81 0.01 . 1 . . . . 57 ILE HG2 . 15172 3 228 . 1 1 57 57 ILE HD11 H 1 0.72 0.01 . 1 . . . . 57 ILE HD1 . 15172 3 229 . 1 1 57 57 ILE HD12 H 1 0.72 0.01 . 1 . . . . 57 ILE HD1 . 15172 3 230 . 1 1 57 57 ILE HD13 H 1 0.72 0.01 . 1 . . . . 57 ILE HD1 . 15172 3 231 . 1 1 57 57 ILE CG2 C 13 18.0 0.1 . 1 . . . . 57 ILE CG2 . 15172 3 232 . 1 1 57 57 ILE CD1 C 13 14.6 0.1 . 1 . . . . 57 ILE CD1 . 15172 3 233 . 1 1 58 58 ILE H H 1 9.19 0.01 . 1 . . . . 58 ILE HN . 15172 3 234 . 1 1 58 58 ILE HA H 1 5.28 0.01 . 1 . . . . 58 ILE HA . 15172 3 235 . 1 1 58 58 ILE HB H 1 2.03 0.01 . 1 . . . . 58 ILE HB . 15172 3 236 . 1 1 58 58 ILE HG12 H 1 1.34 0.01 . 1 . . . . 58 ILE HG12 . 15172 3 237 . 1 1 58 58 ILE HG13 H 1 1.34 0.01 . 1 . . . . 58 ILE HG13 . 15172 3 238 . 1 1 58 58 ILE HG21 H 1 0.90 0.01 . 1 . . . . 58 ILE HG2 . 15172 3 239 . 1 1 58 58 ILE HG22 H 1 0.90 0.01 . 1 . . . . 58 ILE HG2 . 15172 3 240 . 1 1 58 58 ILE HG23 H 1 0.90 0.01 . 1 . . . . 58 ILE HG2 . 15172 3 241 . 1 1 58 58 ILE HD11 H 1 0.81 0.01 . 1 . . . . 58 ILE HD1 . 15172 3 242 . 1 1 58 58 ILE HD12 H 1 0.81 0.01 . 1 . . . . 58 ILE HD1 . 15172 3 243 . 1 1 58 58 ILE HD13 H 1 0.81 0.01 . 1 . . . . 58 ILE HD1 . 15172 3 244 . 1 1 58 58 ILE CA C 13 57.1 0.1 . 1 . . . . 58 ILE CA . 15172 3 245 . 1 1 58 58 ILE CG2 C 13 17.6 0.1 . 1 . . . . 58 ILE CG2 . 15172 3 246 . 1 1 58 58 ILE CD1 C 13 11.4 0.1 . 1 . . . . 58 ILE CD1 . 15172 3 247 . 1 1 59 59 ALA H H 1 9.40 0.01 . 1 . . . . 59 ALA HN . 15172 3 248 . 1 1 59 59 ALA HA H 1 5.58 0.01 . 1 . . . . 59 ALA HA . 15172 3 249 . 1 1 59 59 ALA HB1 H 1 1.34 0.01 . 1 . . . . 59 ALA HB . 15172 3 250 . 1 1 59 59 ALA HB2 H 1 1.34 0.01 . 1 . . . . 59 ALA HB . 15172 3 251 . 1 1 59 59 ALA HB3 H 1 1.34 0.01 . 1 . . . . 59 ALA HB . 15172 3 252 . 1 1 59 59 ALA CA C 13 48.8 0.1 . 1 . . . . 59 ALA CA . 15172 3 253 . 1 1 59 59 ALA CB C 13 22.3 0.1 . 1 . . . . 59 ALA CB . 15172 3 254 . 1 1 60 60 SER HA H 1 4.77 0.01 . 1 . . . . 60 SER HA . 15172 3 255 . 1 1 60 60 SER HB2 H 1 3.69 0.01 . 2 . . . . 60 SER HB2 . 15172 3 256 . 1 1 60 60 SER HB3 H 1 3.90 0.01 . 2 . . . . 60 SER HB3 . 15172 3 257 . 1 1 61 61 ILE H H 1 8.11 0.01 . 1 . . . . 61 ILE HN . 15172 3 258 . 1 1 61 61 ILE HA H 1 4.64 0.01 . 1 . . . . 61 ILE HA . 15172 3 259 . 1 1 61 61 ILE HB H 1 1.26 0.01 . 1 . . . . 61 ILE HB . 15172 3 260 . 1 1 61 61 ILE HG12 H 1 0.58 0.01 . 2 . . . . 61 ILE HG12 . 15172 3 261 . 1 1 61 61 ILE HG13 H 1 0.95 0.01 . 2 . . . . 61 ILE HG13 . 15172 3 262 . 1 1 61 61 ILE HG21 H 1 -0.45 0.01 . 1 . . . . 61 ILE HG2 . 15172 3 263 . 1 1 61 61 ILE HG22 H 1 -0.45 0.01 . 1 . . . . 61 ILE HG2 . 15172 3 264 . 1 1 61 61 ILE HG23 H 1 -0.45 0.01 . 1 . . . . 61 ILE HG2 . 15172 3 265 . 1 1 61 61 ILE HD11 H 1 0.35 0.01 . 1 . . . . 61 ILE HD1 . 15172 3 266 . 1 1 61 61 ILE HD12 H 1 0.35 0.01 . 1 . . . . 61 ILE HD1 . 15172 3 267 . 1 1 61 61 ILE HD13 H 1 0.35 0.01 . 1 . . . . 61 ILE HD1 . 15172 3 268 . 1 1 61 61 ILE CB C 13 37.7 0.1 . 1 . . . . 61 ILE CB . 15172 3 269 . 1 1 61 61 ILE CD1 C 13 12.9 0.1 . 1 . . . . 61 ILE CD1 . 15172 3 270 . 1 1 62 62 PRO HD2 H 1 3.42 0.01 . 2 . . . . 62 PRO HD2 . 15172 3 271 . 1 1 63 63 GLY HA2 H 1 4.42 0.01 . 2 . . . . 63 GLY HA1 . 15172 3 272 . 1 1 63 63 GLY HA3 H 1 3.52 0.01 . 2 . . . . 63 GLY HA2 . 15172 3 273 . 1 1 64 64 ILE HA H 1 4.24 0.01 . 1 . . . . 64 ILE HA . 15172 3 274 . 1 1 64 64 ILE HG21 H 1 0.67 0.01 . 1 . . . . 64 ILE HG2 . 15172 3 275 . 1 1 64 64 ILE HG22 H 1 0.67 0.01 . 1 . . . . 64 ILE HG2 . 15172 3 276 . 1 1 64 64 ILE HG23 H 1 0.67 0.01 . 1 . . . . 64 ILE HG2 . 15172 3 277 . 1 1 64 64 ILE HD11 H 1 0.48 0.01 . 1 . . . . 64 ILE HD1 . 15172 3 278 . 1 1 64 64 ILE HD12 H 1 0.48 0.01 . 1 . . . . 64 ILE HD1 . 15172 3 279 . 1 1 64 64 ILE HD13 H 1 0.48 0.01 . 1 . . . . 64 ILE HD1 . 15172 3 280 . 1 1 64 64 ILE CG2 C 13 18.2 0.1 . 1 . . . . 64 ILE CG2 . 15172 3 281 . 1 1 64 64 ILE CD1 C 13 13.9 0.1 . 1 . . . . 64 ILE CD1 . 15172 3 282 . 1 1 65 65 SER HA H 1 4.30 0.01 . 1 . . . . 65 SER HA . 15172 3 283 . 1 1 65 65 SER HB2 H 1 3.97 0.01 . 1 . . . . 65 SER HB2 . 15172 3 284 . 1 1 65 65 SER HB3 H 1 3.97 0.01 . 1 . . . . 65 SER HB3 . 15172 3 285 . 1 1 66 66 ARG HA H 1 4.52 0.01 . 1 . . . . 66 ARG HA . 15172 3 286 . 1 1 66 66 ARG HB2 H 1 1.72 0.01 . 1 . . . . 66 ARG HB2 . 15172 3 287 . 1 1 66 66 ARG HB3 H 1 1.72 0.01 . 1 . . . . 66 ARG HB3 . 15172 3 288 . 1 1 67 67 ILE H H 1 8.87 0.01 . 1 . . . . 67 ILE HN . 15172 3 289 . 1 1 67 67 ILE HA H 1 4.50 0.01 . 1 . . . . 67 ILE HA . 15172 3 290 . 1 1 67 67 ILE HB H 1 1.76 0.01 . 1 . . . . 67 ILE HB . 15172 3 291 . 1 1 67 67 ILE HG21 H 1 0.93 0.01 . 1 . . . . 67 ILE HG2 . 15172 3 292 . 1 1 67 67 ILE HG22 H 1 0.93 0.01 . 1 . . . . 67 ILE HG2 . 15172 3 293 . 1 1 67 67 ILE HG23 H 1 0.93 0.01 . 1 . . . . 67 ILE HG2 . 15172 3 294 . 1 1 67 67 ILE HD11 H 1 0.63 0.01 . 1 . . . . 67 ILE HD1 . 15172 3 295 . 1 1 67 67 ILE HD12 H 1 0.63 0.01 . 1 . . . . 67 ILE HD1 . 15172 3 296 . 1 1 67 67 ILE HD13 H 1 0.63 0.01 . 1 . . . . 67 ILE HD1 . 15172 3 297 . 1 1 67 67 ILE CG2 C 13 17.3 0.1 . 1 . . . . 67 ILE CG2 . 15172 3 298 . 1 1 67 67 ILE CD1 C 13 14.2 0.1 . 1 . . . . 67 ILE CD1 . 15172 3 299 . 1 1 68 68 GLU H H 1 8.83 0.01 . 1 . . . . 68 GLU HN . 15172 3 300 . 1 1 68 68 GLU HA H 1 4.99 0.01 . 1 . . . . 68 GLU HA . 15172 3 301 . 1 1 68 68 GLU HB2 H 1 1.98 0.01 . 2 . . . . 68 GLU HB2 . 15172 3 302 . 1 1 68 68 GLU HB3 H 1 2.12 0.01 . 2 . . . . 68 GLU HB3 . 15172 3 303 . 1 1 68 68 GLU HG2 H 1 2.42 0.01 . 2 . . . . 68 GLU HG2 . 15172 3 304 . 1 1 68 68 GLU HG3 H 1 2.46 0.01 . 2 . . . . 68 GLU HG3 . 15172 3 305 . 1 1 69 69 ILE H H 1 9.82 0.01 . 1 . . . . 69 ILE HN . 15172 3 306 . 1 1 69 69 ILE HA H 1 5.17 0.01 . 1 . . . . 69 ILE HA . 15172 3 307 . 1 1 69 69 ILE HB H 1 1.76 0.01 . 1 . . . . 69 ILE HB . 15172 3 308 . 1 1 69 69 ILE HG21 H 1 0.76 0.01 . 1 . . . . 69 ILE HG2 . 15172 3 309 . 1 1 69 69 ILE HG22 H 1 0.76 0.01 . 1 . . . . 69 ILE HG2 . 15172 3 310 . 1 1 69 69 ILE HG23 H 1 0.76 0.01 . 1 . . . . 69 ILE HG2 . 15172 3 311 . 1 1 69 69 ILE HD11 H 1 0.81 0.01 . 1 . . . . 69 ILE HD1 . 15172 3 312 . 1 1 69 69 ILE HD12 H 1 0.81 0.01 . 1 . . . . 69 ILE HD1 . 15172 3 313 . 1 1 69 69 ILE HD13 H 1 0.81 0.01 . 1 . . . . 69 ILE HD1 . 15172 3 314 . 1 1 69 69 ILE CA C 13 59.8 0.1 . 1 . . . . 69 ILE CA . 15172 3 315 . 1 1 69 69 ILE CG2 C 13 17.0 0.1 . 1 . . . . 69 ILE CG2 . 15172 3 316 . 1 1 69 69 ILE CD1 C 13 14.4 0.1 . 1 . . . . 69 ILE CD1 . 15172 3 317 . 1 1 70 70 LYS H H 1 9.40 0.01 . 1 . . . . 70 LYS HN . 15172 3 318 . 1 1 70 70 LYS HA H 1 5.26 0.01 . 1 . . . . 70 LYS HA . 15172 3 319 . 1 1 70 70 LYS HB2 H 1 2.11 0.01 . 1 . . . . 70 LYS HB2 . 15172 3 320 . 1 1 70 70 LYS HB3 H 1 2.11 0.01 . 1 . . . . 70 LYS HB3 . 15172 3 321 . 1 1 70 70 LYS HG2 H 1 1.58 0.01 . 1 . . . . 70 LYS HG2 . 15172 3 322 . 1 1 70 70 LYS HG3 H 1 1.58 0.01 . 1 . . . . 70 LYS HG3 . 15172 3 323 . 1 1 70 70 LYS HD2 H 1 1.71 0.01 . 1 . . . . 70 LYS HD2 . 15172 3 324 . 1 1 70 70 LYS HD3 H 1 1.71 0.01 . 1 . . . . 70 LYS HD3 . 15172 3 325 . 1 1 70 70 LYS CA C 13 51.9 0.1 . 1 . . . . 70 LYS CA . 15172 3 326 . 1 1 71 71 PRO HA H 1 4.61 0.01 . 1 . . . . 71 PRO HA . 15172 3 327 . 1 1 71 71 PRO HB2 H 1 2.11 0.01 . 2 . . . . 71 PRO HB2 . 15172 3 328 . 1 1 71 71 PRO HB3 H 1 2.17 0.01 . 2 . . . . 71 PRO HB3 . 15172 3 329 . 1 1 71 71 PRO HG3 H 1 1.69 0.01 . 2 . . . . 71 PRO HG3 . 15172 3 330 . 1 1 71 71 PRO HD2 H 1 3.55 0.01 . 2 . . . . 71 PRO HD2 . 15172 3 331 . 1 1 71 71 PRO HD3 H 1 3.83 0.01 . 2 . . . . 71 PRO HD3 . 15172 3 332 . 1 1 72 72 ASP H H 1 8.43 0.01 . 1 . . . . 72 ASP HN . 15172 3 333 . 1 1 72 72 ASP HA H 1 4.84 0.01 . 1 . . . . 72 ASP HA . 15172 3 334 . 1 1 72 72 ASP HB2 H 1 2.48 0.01 . 2 . . . . 72 ASP HB2 . 15172 3 335 . 1 1 72 72 ASP HB3 H 1 2.60 0.01 . 2 . . . . 72 ASP HB3 . 15172 3 336 . 1 1 72 72 ASP CA C 13 52.9 0.1 . 1 . . . . 72 ASP CA . 15172 3 337 . 1 1 73 73 LYS HA H 1 4.19 0.01 . 1 . . . . 73 LYS HA . 15172 3 338 . 1 1 73 73 LYS HB2 H 1 1.85 0.01 . 2 . . . . 73 LYS HB2 . 15172 3 339 . 1 1 73 73 LYS HB3 H 1 2.01 0.01 . 2 . . . . 73 LYS HB3 . 15172 3 340 . 1 1 73 73 LYS HG2 H 1 1.48 0.01 . 2 . . . . 73 LYS HG2 . 15172 3 341 . 1 1 73 73 LYS HG3 H 1 1.60 0.01 . 2 . . . . 73 LYS HG3 . 15172 3 342 . 1 1 73 73 LYS HD2 H 1 1.77 0.01 . 2 . . . . 73 LYS HD2 . 15172 3 343 . 1 1 73 73 LYS HD3 H 1 1.81 0.01 . 2 . . . . 73 LYS HD3 . 15172 3 344 . 1 1 73 73 LYS HE2 H 1 3.09 0.01 . 1 . . . . 73 LYS HE2 . 15172 3 345 . 1 1 73 73 LYS HE3 H 1 3.09 0.01 . 1 . . . . 73 LYS HE3 . 15172 3 346 . 1 1 75 75 LYS HA H 1 5.22 0.01 . 1 . . . . 75 LYS HA . 15172 3 347 . 1 1 75 75 LYS HB3 H 1 1.82 0.01 . 2 . . . . 75 LYS HB3 . 15172 3 348 . 1 1 75 75 LYS HG2 H 1 1.14 0.01 . 2 . . . . 75 LYS HG2 . 15172 3 349 . 1 1 75 75 LYS HG3 H 1 1.40 0.01 . 2 . . . . 75 LYS HG3 . 15172 3 350 . 1 1 75 75 LYS HD2 H 1 1.54 0.01 . 1 . . . . 75 LYS HD2 . 15172 3 351 . 1 1 75 75 LYS HD3 H 1 1.54 0.01 . 1 . . . . 75 LYS HD3 . 15172 3 352 . 1 1 75 75 LYS HE2 H 1 2.86 0.01 . 2 . . . . 75 LYS HE2 . 15172 3 353 . 1 1 75 75 LYS HE3 H 1 2.93 0.01 . 2 . . . . 75 LYS HE3 . 15172 3 354 . 1 1 75 75 LYS CA C 13 54.2 0.1 . 1 . . . . 75 LYS CA . 15172 3 355 . 1 1 76 76 ILE H H 1 8.75 0.01 . 1 . . . . 76 ILE HN . 15172 3 356 . 1 1 76 76 ILE HA H 1 4.80 0.01 . 1 . . . . 76 ILE HA . 15172 3 357 . 1 1 76 76 ILE HB H 1 1.55 0.01 . 1 . . . . 76 ILE HB . 15172 3 358 . 1 1 76 76 ILE HG12 H 1 0.97 0.01 . 2 . . . . 76 ILE HG12 . 15172 3 359 . 1 1 76 76 ILE HG13 H 1 1.64 0.01 . 2 . . . . 76 ILE HG13 . 15172 3 360 . 1 1 76 76 ILE HG21 H 1 0.77 0.01 . 1 . . . . 76 ILE HG2 . 15172 3 361 . 1 1 76 76 ILE HG22 H 1 0.77 0.01 . 1 . . . . 76 ILE HG2 . 15172 3 362 . 1 1 76 76 ILE HG23 H 1 0.77 0.01 . 1 . . . . 76 ILE HG2 . 15172 3 363 . 1 1 76 76 ILE HD11 H 1 0.56 0.01 . 1 . . . . 76 ILE HD1 . 15172 3 364 . 1 1 76 76 ILE HD12 H 1 0.56 0.01 . 1 . . . . 76 ILE HD1 . 15172 3 365 . 1 1 76 76 ILE HD13 H 1 0.56 0.01 . 1 . . . . 76 ILE HD1 . 15172 3 366 . 1 1 76 76 ILE CG2 C 13 17.1 0.1 . 1 . . . . 76 ILE CG2 . 15172 3 367 . 1 1 76 76 ILE CD1 C 13 13.0 0.1 . 1 . . . . 76 ILE CD1 . 15172 3 368 . 1 1 77 77 LEU H H 1 8.60 0.01 . 1 . . . . 77 LEU HN . 15172 3 369 . 1 1 77 77 LEU HA H 1 5.23 0.01 . 1 . . . . 77 LEU HA . 15172 3 370 . 1 1 77 77 LEU HB2 H 1 1.71 0.01 . 2 . . . . 77 LEU HB2 . 15172 3 371 . 1 1 77 77 LEU HB3 H 1 2.01 0.01 . 2 . . . . 77 LEU HB3 . 15172 3 372 . 1 1 77 77 LEU HD11 H 1 0.89 0.01 . 2 . . . . 77 LEU HD1 . 15172 3 373 . 1 1 77 77 LEU HD12 H 1 0.89 0.01 . 2 . . . . 77 LEU HD1 . 15172 3 374 . 1 1 77 77 LEU HD13 H 1 0.89 0.01 . 2 . . . . 77 LEU HD1 . 15172 3 375 . 1 1 77 77 LEU HD21 H 1 0.95 0.01 . 2 . . . . 77 LEU HD2 . 15172 3 376 . 1 1 77 77 LEU HD22 H 1 0.95 0.01 . 2 . . . . 77 LEU HD2 . 15172 3 377 . 1 1 77 77 LEU HD23 H 1 0.95 0.01 . 2 . . . . 77 LEU HD2 . 15172 3 378 . 1 1 77 77 LEU CD1 C 13 24.7 0.1 . 1 . . . . 77 LEU CD1 . 15172 3 379 . 1 1 77 77 LEU CD2 C 13 22.6 0.1 . 1 . . . . 77 LEU CD2 . 15172 3 380 . 1 1 78 78 VAL H H 1 9.27 0.01 . 1 . . . . 78 VAL HN . 15172 3 381 . 1 1 78 78 VAL HA H 1 5.41 0.01 . 1 . . . . 78 VAL HA . 15172 3 382 . 1 1 78 78 VAL HB H 1 2.17 0.01 . 1 . . . . 78 VAL HB . 15172 3 383 . 1 1 78 78 VAL HG11 H 1 1.15 0.01 . 2 . . . . 78 VAL HG1 . 15172 3 384 . 1 1 78 78 VAL HG12 H 1 1.15 0.01 . 2 . . . . 78 VAL HG1 . 15172 3 385 . 1 1 78 78 VAL HG13 H 1 1.15 0.01 . 2 . . . . 78 VAL HG1 . 15172 3 386 . 1 1 78 78 VAL HG21 H 1 0.96 0.01 . 2 . . . . 78 VAL HG2 . 15172 3 387 . 1 1 78 78 VAL HG22 H 1 0.96 0.01 . 2 . . . . 78 VAL HG2 . 15172 3 388 . 1 1 78 78 VAL HG23 H 1 0.96 0.01 . 2 . . . . 78 VAL HG2 . 15172 3 389 . 1 1 78 78 VAL CA C 13 60.2 0.1 . 1 . . . . 78 VAL CA . 15172 3 390 . 1 1 78 78 VAL CG1 C 13 21.5 0.1 . 1 . . . . 78 VAL CG1 . 15172 3 391 . 1 1 78 78 VAL CG2 C 13 22.0 0.1 . 1 . . . . 78 VAL CG2 . 15172 3 392 . 1 1 79 79 ASN H H 1 9.57 0.01 . 1 . . . . 79 ASN HN . 15172 3 393 . 1 1 79 79 ASN HA H 1 5.52 0.01 . 1 . . . . 79 ASN HA . 15172 3 394 . 1 1 79 79 ASN HB2 H 1 2.77 0.01 . 2 . . . . 79 ASN HB2 . 15172 3 395 . 1 1 79 79 ASN HB3 H 1 3.13 0.01 . 2 . . . . 79 ASN HB3 . 15172 3 396 . 1 1 79 79 ASN CA C 13 51.2 0.1 . 1 . . . . 79 ASN CA . 15172 3 397 . 1 1 80 80 THR HA H 1 4.62 0.01 . 1 . . . . 80 THR HA . 15172 3 398 . 1 1 80 80 THR HB H 1 4.35 0.01 . 1 . . . . 80 THR HB . 15172 3 399 . 1 1 80 80 THR HG21 H 1 1.17 0.01 . 1 . . . . 80 THR HG2 . 15172 3 400 . 1 1 80 80 THR HG22 H 1 1.17 0.01 . 1 . . . . 80 THR HG2 . 15172 3 401 . 1 1 80 80 THR HG23 H 1 1.17 0.01 . 1 . . . . 80 THR HG2 . 15172 3 402 . 1 1 83 83 TYR HD1 H 1 7.01 0.01 . 1 . . . . 83 TYR HD1 . 15172 3 403 . 1 1 83 83 TYR HD2 H 1 7.01 0.01 . 1 . . . . 83 TYR HD2 . 15172 3 404 . 1 1 83 83 TYR HE1 H 1 6.63 0.01 . 1 . . . . 83 TYR HE1 . 15172 3 405 . 1 1 83 83 TYR HE2 H 1 6.63 0.01 . 1 . . . . 83 TYR HE2 . 15172 3 406 . 1 1 87 87 ALA HA H 1 4.31 0.01 . 1 . . . . 87 ALA HA . 15172 3 407 . 1 1 87 87 ALA HB1 H 1 1.42 0.01 . 1 . . . . 87 ALA HB . 15172 3 408 . 1 1 87 87 ALA HB2 H 1 1.42 0.01 . 1 . . . . 87 ALA HB . 15172 3 409 . 1 1 87 87 ALA HB3 H 1 1.42 0.01 . 1 . . . . 87 ALA HB . 15172 3 410 . 1 1 87 87 ALA CA C 13 51.5 0.1 . 1 . . . . 87 ALA CA . 15172 3 411 . 1 1 87 87 ALA CB C 13 19.2 0.1 . 1 . . . . 87 ALA CB . 15172 3 412 . 1 1 88 88 ASP HA H 1 4.64 0.01 . 1 . . . . 88 ASP HA . 15172 3 413 . 1 1 88 88 ASP HB2 H 1 2.70 0.01 . 2 . . . . 88 ASP HB2 . 15172 3 414 . 1 1 88 88 ASP HB3 H 1 2.89 0.01 . 2 . . . . 88 ASP HB3 . 15172 3 415 . 1 1 90 90 LEU HD11 H 1 0.95 0.01 . 2 . . . . 90 LEU HD1 . 15172 3 416 . 1 1 90 90 LEU HD12 H 1 0.95 0.01 . 2 . . . . 90 LEU HD1 . 15172 3 417 . 1 1 90 90 LEU HD13 H 1 0.95 0.01 . 2 . . . . 90 LEU HD1 . 15172 3 418 . 1 1 90 90 LEU HD21 H 1 1.03 0.01 . 2 . . . . 90 LEU HD2 . 15172 3 419 . 1 1 90 90 LEU HD22 H 1 1.03 0.01 . 2 . . . . 90 LEU HD2 . 15172 3 420 . 1 1 90 90 LEU HD23 H 1 1.03 0.01 . 2 . . . . 90 LEU HD2 . 15172 3 421 . 1 1 90 90 LEU CD1 C 13 24.3 0.1 . 1 . . . . 90 LEU CD1 . 15172 3 422 . 1 1 90 90 LEU CD2 C 13 25.4 0.1 . 1 . . . . 90 LEU CD2 . 15172 3 423 . 1 1 91 91 ALA HA H 1 4.17 0.01 . 1 . . . . 91 ALA HA . 15172 3 424 . 1 1 91 91 ALA HB1 H 1 1.55 0.01 . 1 . . . . 91 ALA HB . 15172 3 425 . 1 1 91 91 ALA HB2 H 1 1.55 0.01 . 1 . . . . 91 ALA HB . 15172 3 426 . 1 1 91 91 ALA HB3 H 1 1.55 0.01 . 1 . . . . 91 ALA HB . 15172 3 427 . 1 1 91 91 ALA CB C 13 17.6 0.1 . 1 . . . . 91 ALA CB . 15172 3 428 . 1 1 92 92 VAL HA H 1 3.90 0.01 . 1 . . . . 92 VAL HA . 15172 3 429 . 1 1 92 92 VAL HB H 1 2.07 0.01 . 1 . . . . 92 VAL HB . 15172 3 430 . 1 1 92 92 VAL HG11 H 1 0.69 0.01 . 2 . . . . 92 VAL HG1 . 15172 3 431 . 1 1 92 92 VAL HG12 H 1 0.69 0.01 . 2 . . . . 92 VAL HG1 . 15172 3 432 . 1 1 92 92 VAL HG13 H 1 0.69 0.01 . 2 . . . . 92 VAL HG1 . 15172 3 433 . 1 1 92 92 VAL HG21 H 1 1.05 0.01 . 2 . . . . 92 VAL HG2 . 15172 3 434 . 1 1 92 92 VAL HG22 H 1 1.05 0.01 . 2 . . . . 92 VAL HG2 . 15172 3 435 . 1 1 92 92 VAL HG23 H 1 1.05 0.01 . 2 . . . . 92 VAL HG2 . 15172 3 436 . 1 1 92 92 VAL CG1 C 13 21.0 0.1 . 1 . . . . 92 VAL CG1 . 15172 3 437 . 1 1 92 92 VAL CG2 C 13 18.8 0.1 . 1 . . . . 92 VAL CG2 . 15172 3 438 . 1 1 93 93 VAL HA H 1 3.86 0.01 . 1 . . . . 93 VAL HA . 15172 3 439 . 1 1 93 93 VAL HB H 1 2.24 0.01 . 1 . . . . 93 VAL HB . 15172 3 440 . 1 1 93 93 VAL HG11 H 1 1.20 0.01 . 2 . . . . 93 VAL HG1 . 15172 3 441 . 1 1 93 93 VAL HG12 H 1 1.20 0.01 . 2 . . . . 93 VAL HG1 . 15172 3 442 . 1 1 93 93 VAL HG13 H 1 1.20 0.01 . 2 . . . . 93 VAL HG1 . 15172 3 443 . 1 1 93 93 VAL HG21 H 1 1.09 0.01 . 2 . . . . 93 VAL HG2 . 15172 3 444 . 1 1 93 93 VAL HG22 H 1 1.09 0.01 . 2 . . . . 93 VAL HG2 . 15172 3 445 . 1 1 93 93 VAL HG23 H 1 1.09 0.01 . 2 . . . . 93 VAL HG2 . 15172 3 446 . 1 1 93 93 VAL CG1 C 13 20.5 0.1 . 1 . . . . 93 VAL CG1 . 15172 3 447 . 1 1 93 93 VAL CG2 C 13 22.6 0.1 . 1 . . . . 93 VAL CG2 . 15172 3 448 . 1 1 94 94 ARG HA H 1 4.23 0.01 . 1 . . . . 94 ARG HA . 15172 3 449 . 1 1 94 94 ARG HB2 H 1 2.08 0.01 . 1 . . . . 94 ARG HB2 . 15172 3 450 . 1 1 94 94 ARG HB3 H 1 2.08 0.01 . 1 . . . . 94 ARG HB3 . 15172 3 451 . 1 1 94 94 ARG HG2 H 1 1.90 0.01 . 1 . . . . 94 ARG HG2 . 15172 3 452 . 1 1 94 94 ARG HG3 H 1 1.90 0.01 . 1 . . . . 94 ARG HG3 . 15172 3 453 . 1 1 94 94 ARG HD2 H 1 3.32 0.01 . 1 . . . . 94 ARG HD2 . 15172 3 454 . 1 1 94 94 ARG HD3 H 1 3.32 0.01 . 1 . . . . 94 ARG HD3 . 15172 3 455 . 1 1 95 95 THR HA H 1 4.08 0.01 . 1 . . . . 95 THR HA . 15172 3 456 . 1 1 95 95 THR HB H 1 4.40 0.01 . 1 . . . . 95 THR HB . 15172 3 457 . 1 1 95 95 THR HG21 H 1 1.40 0.01 . 1 . . . . 95 THR HG2 . 15172 3 458 . 1 1 95 95 THR HG22 H 1 1.40 0.01 . 1 . . . . 95 THR HG2 . 15172 3 459 . 1 1 95 95 THR HG23 H 1 1.40 0.01 . 1 . . . . 95 THR HG2 . 15172 3 460 . 1 1 95 95 THR CA C 13 65.7 0.1 . 1 . . . . 95 THR CA . 15172 3 461 . 1 1 95 95 THR CB C 13 67.7 0.1 . 1 . . . . 95 THR CB . 15172 3 462 . 1 1 95 95 THR CG2 C 13 21.2 0.1 . 1 . . . . 95 THR CG2 . 15172 3 463 . 1 1 96 96 TYR HA H 1 3.96 0.01 . 1 . . . . 96 TYR HA . 15172 3 464 . 1 1 96 96 TYR HB2 H 1 2.93 0.01 . 2 . . . . 96 TYR HB2 . 15172 3 465 . 1 1 96 96 TYR HB3 H 1 3.18 0.01 . 2 . . . . 96 TYR HB3 . 15172 3 466 . 1 1 96 96 TYR HD1 H 1 6.95 0.01 . 1 . . . . 96 TYR HD1 . 15172 3 467 . 1 1 96 96 TYR HD2 H 1 6.95 0.01 . 1 . . . . 96 TYR HD2 . 15172 3 468 . 1 1 96 96 TYR HE1 H 1 6.69 0.01 . 1 . . . . 96 TYR HE1 . 15172 3 469 . 1 1 96 96 TYR HE2 H 1 6.69 0.01 . 1 . . . . 96 TYR HE2 . 15172 3 470 . 1 1 97 97 ASN HB2 H 1 2.87 0.01 . 2 . . . . 97 ASN HB2 . 15172 3 471 . 1 1 97 97 ASN HB3 H 1 3.10 0.01 . 2 . . . . 97 ASN HB3 . 15172 3 472 . 1 1 98 98 ASP HA H 1 4.48 0.01 . 1 . . . . 98 ASP HA . 15172 3 473 . 1 1 98 98 ASP HB2 H 1 2.83 0.01 . 2 . . . . 98 ASP HB2 . 15172 3 474 . 1 1 98 98 ASP HB3 H 1 2.94 0.01 . 2 . . . . 98 ASP HB3 . 15172 3 475 . 1 1 99 99 PHE HA H 1 4.34 0.01 . 1 . . . . 99 PHE HA . 15172 3 476 . 1 1 99 99 PHE HB2 H 1 3.12 0.01 . 2 . . . . 99 PHE HB2 . 15172 3 477 . 1 1 99 99 PHE HB3 H 1 3.34 0.01 . 2 . . . . 99 PHE HB3 . 15172 3 478 . 1 1 99 99 PHE HD1 H 1 6.94 0.01 . 1 . . . . 99 PHE HD1 . 15172 3 479 . 1 1 99 99 PHE HD2 H 1 6.94 0.01 . 1 . . . . 99 PHE HD2 . 15172 3 480 . 1 1 99 99 PHE HE1 H 1 6.91 0.01 . 1 . . . . 99 PHE HE1 . 15172 3 481 . 1 1 99 99 PHE HE2 H 1 6.91 0.01 . 1 . . . . 99 PHE HE2 . 15172 3 482 . 1 1 99 99 PHE HZ H 1 6.73 0.01 . 1 . . . . 99 PHE HZ . 15172 3 483 . 1 1 100 100 ILE H H 1 8.20 0.01 . 1 . . . . 100 ILE HN . 15172 3 484 . 1 1 100 100 ILE HA H 1 3.16 0.01 . 1 . . . . 100 ILE HA . 15172 3 485 . 1 1 100 100 ILE HB H 1 1.73 0.01 . 1 . . . . 100 ILE HB . 15172 3 486 . 1 1 100 100 ILE HG12 H 1 0.47 0.01 . 2 . . . . 100 ILE HG12 . 15172 3 487 . 1 1 100 100 ILE HG13 H 1 0.90 0.01 . 2 . . . . 100 ILE HG13 . 15172 3 488 . 1 1 100 100 ILE HG21 H 1 0.21 0.01 . 1 . . . . 100 ILE HG2 . 15172 3 489 . 1 1 100 100 ILE HG22 H 1 0.21 0.01 . 1 . . . . 100 ILE HG2 . 15172 3 490 . 1 1 100 100 ILE HG23 H 1 0.21 0.01 . 1 . . . . 100 ILE HG2 . 15172 3 491 . 1 1 100 100 ILE HD11 H 1 0.04 0.01 . 1 . . . . 100 ILE HD1 . 15172 3 492 . 1 1 100 100 ILE HD12 H 1 0.04 0.01 . 1 . . . . 100 ILE HD1 . 15172 3 493 . 1 1 100 100 ILE HD13 H 1 0.04 0.01 . 1 . . . . 100 ILE HD1 . 15172 3 494 . 1 1 100 100 ILE CA C 13 60.5 0.1 . 1 . . . . 100 ILE CA . 15172 3 495 . 1 1 100 100 ILE CG2 C 13 16.8 0.1 . 1 . . . . 100 ILE CG2 . 15172 3 496 . 1 1 100 100 ILE CD1 C 13 6.6 0.1 . 1 . . . . 100 ILE CD1 . 15172 3 497 . 1 1 101 101 GLU H H 1 8.36 0.01 . 1 . . . . 101 GLU HN . 15172 3 498 . 1 1 101 101 GLU HA H 1 3.98 0.01 . 1 . . . . 101 GLU HA . 15172 3 499 . 1 1 101 101 GLU HB2 H 1 1.97 0.01 . 2 . . . . 101 GLU HB2 . 15172 3 500 . 1 1 101 101 GLU HB3 H 1 2.15 0.01 . 2 . . . . 101 GLU HB3 . 15172 3 501 . 1 1 102 102 LYS H H 1 8.30 0.01 . 1 . . . . 102 LYS HN . 15172 3 502 . 1 1 102 102 LYS HA H 1 4.10 0.01 . 1 . . . . 102 LYS HA . 15172 3 503 . 1 1 102 102 LYS HB2 H 1 1.91 0.01 . 2 . . . . 102 LYS HB2 . 15172 3 504 . 1 1 102 102 LYS HB3 H 1 2.04 0.01 . 2 . . . . 102 LYS HB3 . 15172 3 505 . 1 1 102 102 LYS HG2 H 1 1.62 0.01 . 1 . . . . 102 LYS HG2 . 15172 3 506 . 1 1 102 102 LYS HG3 H 1 1.62 0.01 . 1 . . . . 102 LYS HG3 . 15172 3 507 . 1 1 102 102 LYS HD2 H 1 1.72 0.01 . 1 . . . . 102 LYS HD2 . 15172 3 508 . 1 1 102 102 LYS HD3 H 1 1.72 0.01 . 1 . . . . 102 LYS HD3 . 15172 3 509 . 1 1 103 103 LEU H H 1 7.92 0.01 . 1 . . . . 103 LEU HN . 15172 3 510 . 1 1 103 103 LEU HA H 1 4.16 0.01 . 1 . . . . 103 LEU HA . 15172 3 511 . 1 1 103 103 LEU HB2 H 1 1.02 0.01 . 2 . . . . 103 LEU HB2 . 15172 3 512 . 1 1 103 103 LEU HB3 H 1 1.32 0.01 . 2 . . . . 103 LEU HB3 . 15172 3 513 . 1 1 103 103 LEU HG H 1 1.46 0.01 . 1 . . . . 103 LEU HG . 15172 3 514 . 1 1 103 103 LEU HD11 H 1 0.61 0.01 . 2 . . . . 103 LEU HD1 . 15172 3 515 . 1 1 103 103 LEU HD12 H 1 0.61 0.01 . 2 . . . . 103 LEU HD1 . 15172 3 516 . 1 1 103 103 LEU HD13 H 1 0.61 0.01 . 2 . . . . 103 LEU HD1 . 15172 3 517 . 1 1 103 103 LEU HD21 H 1 0.43 0.01 . 2 . . . . 103 LEU HD2 . 15172 3 518 . 1 1 103 103 LEU HD22 H 1 0.43 0.01 . 2 . . . . 103 LEU HD2 . 15172 3 519 . 1 1 103 103 LEU HD23 H 1 0.43 0.01 . 2 . . . . 103 LEU HD2 . 15172 3 520 . 1 1 103 103 LEU CD1 C 13 23.4 0.1 . 1 . . . . 103 LEU CD1 . 15172 3 521 . 1 1 103 103 LEU CD2 C 13 24.2 0.1 . 1 . . . . 103 LEU CD2 . 15172 3 522 . 1 1 104 104 THR H H 1 7.93 0.01 . 1 . . . . 104 THR HN . 15172 3 523 . 1 1 104 104 THR HA H 1 4.48 0.01 . 1 . . . . 104 THR HA . 15172 3 524 . 1 1 104 104 THR HG21 H 1 1.09 0.01 . 1 . . . . 104 THR HG2 . 15172 3 525 . 1 1 104 104 THR HG22 H 1 1.09 0.01 . 1 . . . . 104 THR HG2 . 15172 3 526 . 1 1 104 104 THR HG23 H 1 1.09 0.01 . 1 . . . . 104 THR HG2 . 15172 3 527 . 1 1 104 104 THR CA C 13 61.4 0.1 . 1 . . . . 104 THR CA . 15172 3 528 . 1 1 105 105 GLY H H 1 7.53 0.01 . 1 . . . . 105 GLY HN . 15172 3 529 . 1 1 105 105 GLY HA2 H 1 2.51 0.01 . 2 . . . . 105 GLY HA1 . 15172 3 530 . 1 1 105 105 GLY HA3 H 1 2.76 0.01 . 2 . . . . 105 GLY HA2 . 15172 3 531 . 1 1 106 106 TYR HA H 1 5.09 0.01 . 1 . . . . 106 TYR HA . 15172 3 532 . 1 1 106 106 TYR HB2 H 1 2.82 0.01 . 2 . . . . 106 TYR HB2 . 15172 3 533 . 1 1 106 106 TYR HB3 H 1 2.98 0.01 . 2 . . . . 106 TYR HB3 . 15172 3 534 . 1 1 106 106 TYR HD1 H 1 7.04 0.01 . 1 . . . . 106 TYR HD1 . 15172 3 535 . 1 1 106 106 TYR HD2 H 1 7.04 0.01 . 1 . . . . 106 TYR HD2 . 15172 3 536 . 1 1 106 106 TYR HE1 H 1 6.58 0.01 . 1 . . . . 106 TYR HE1 . 15172 3 537 . 1 1 106 106 TYR HE2 H 1 6.58 0.01 . 1 . . . . 106 TYR HE2 . 15172 3 538 . 1 1 107 107 SER HA H 1 4.39 0.01 . 1 . . . . 107 SER HA . 15172 3 539 . 1 1 107 107 SER HB2 H 1 3.94 0.01 . 1 . . . . 107 SER HB2 . 15172 3 540 . 1 1 107 107 SER HB3 H 1 3.94 0.01 . 1 . . . . 107 SER HB3 . 15172 3 541 . 1 1 108 108 ALA HA H 1 4.02 0.01 . 1 . . . . 108 ALA HA . 15172 3 542 . 1 1 108 108 ALA HB1 H 1 1.50 0.01 . 1 . . . . 108 ALA HB . 15172 3 543 . 1 1 108 108 ALA HB2 H 1 1.50 0.01 . 1 . . . . 108 ALA HB . 15172 3 544 . 1 1 108 108 ALA HB3 H 1 1.50 0.01 . 1 . . . . 108 ALA HB . 15172 3 545 . 1 1 108 108 ALA CA C 13 54.7 0.1 . 1 . . . . 108 ALA CA . 15172 3 546 . 1 1 108 108 ALA CB C 13 17.2 0.1 . 1 . . . . 108 ALA CB . 15172 3 547 . 1 1 110 110 GLU HA H 1 4.05 0.01 . 1 . . . . 110 GLU HA . 15172 3 548 . 1 1 110 110 GLU HB2 H 1 2.10 0.01 . 1 . . . . 110 GLU HB2 . 15172 3 549 . 1 1 110 110 GLU HB3 H 1 2.10 0.01 . 1 . . . . 110 GLU HB3 . 15172 3 550 . 1 1 110 110 GLU HG2 H 1 2.35 0.01 . 2 . . . . 110 GLU HG2 . 15172 3 551 . 1 1 110 110 GLU HG3 H 1 2.41 0.01 . 2 . . . . 110 GLU HG3 . 15172 3 552 . 1 1 111 111 ARG HA H 1 3.93 0.01 . 1 . . . . 111 ARG HA . 15172 3 553 . 1 1 114 114 MET HA H 1 4.33 0.01 . 1 . . . . 114 MET HA . 15172 3 554 . 1 1 114 114 MET HB2 H 1 2.03 0.01 . 2 . . . . 114 MET HB2 . 15172 3 555 . 1 1 114 114 MET HB3 H 1 2.10 0.01 . 2 . . . . 114 MET HB3 . 15172 3 556 . 1 1 114 114 MET HG2 H 1 2.49 0.01 . 2 . . . . 114 MET HG2 . 15172 3 557 . 1 1 114 114 MET HG3 H 1 2.56 0.01 . 2 . . . . 114 MET HG3 . 15172 3 558 . 1 1 115 115 MET HA H 1 4.53 0.01 . 1 . . . . 115 MET HA . 15172 3 559 . 1 1 115 115 MET HB2 H 1 2.12 0.01 . 2 . . . . 115 MET HB2 . 15172 3 560 . 1 1 115 115 MET HB3 H 1 2.23 0.01 . 2 . . . . 115 MET HB3 . 15172 3 561 . 1 1 115 115 MET HG2 H 1 2.63 0.01 . 2 . . . . 115 MET HG2 . 15172 3 562 . 1 1 115 115 MET HG3 H 1 2.71 0.01 . 2 . . . . 115 MET HG3 . 15172 3 563 . 1 1 116 116 THR HA H 1 4.39 0.01 . 1 . . . . 116 THR HA . 15172 3 564 . 1 1 116 116 THR HB H 1 4.30 0.01 . 1 . . . . 116 THR HB . 15172 3 565 . 1 1 116 116 THR HG21 H 1 1.26 0.01 . 1 . . . . 116 THR HG2 . 15172 3 566 . 1 1 116 116 THR HG22 H 1 1.26 0.01 . 1 . . . . 116 THR HG2 . 15172 3 567 . 1 1 116 116 THR HG23 H 1 1.26 0.01 . 1 . . . . 116 THR HG2 . 15172 3 568 . 1 1 116 116 THR CA C 13 61.2 0.1 . 1 . . . . 116 THR CA . 15172 3 569 . 1 1 116 116 THR CB C 13 69.2 0.1 . 1 . . . . 116 THR CB . 15172 3 570 . 1 1 116 116 THR CG2 C 13 20.9 0.1 . 1 . . . . 116 THR CG2 . 15172 3 571 . 1 1 118 118 ASP HA H 1 4.68 0.01 . 1 . . . . 118 ASP HA . 15172 3 572 . 1 1 118 118 ASP HB2 H 1 2.75 0.01 . 1 . . . . 118 ASP HB2 . 15172 3 573 . 1 1 118 118 ASP HB3 H 1 2.75 0.01 . 1 . . . . 118 ASP HB3 . 15172 3 574 . 1 1 118 118 ASP CA C 13 53.7 0.1 . 1 . . . . 118 ASP CA . 15172 3 575 . 1 1 118 118 ASP CB C 13 40.6 0.1 . 1 . . . . 118 ASP CB . 15172 3 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 1 15172 3 1 2 15172 3 1 3 15172 3 2 4 15172 3 stop_ save_