data_15816 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15816 _Entry.Title ; Solution NMR Structure of Allochromatium vinosum DsrR: Northeast Structural Genomics Consortium Target OP5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-06-22 _Entry.Accession_date 2008-06-22 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _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 John Cort . R. . 15816 2 Christiane Dahl . . . 15816 3 Frauke Grimm . . . 15816 4 Michael Kennedy . A. . 15816 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 . 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 15816 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'IscA/SufA/HesB like fold' . 15816 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15816 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 431 15816 '15N chemical shifts' 101 15816 '1H chemical shifts' 686 15816 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 2 . . 2010-06-02 2008-06-22 update BMRB 'edit assembly name' 15816 1 . . 2008-07-03 2008-06-22 original author 'original release' 15816 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K4Z 'BMRB Entry Tracking System' 15816 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15816 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution NMR Structure of the IscA-like Protein DsrR Involved in Sulfur Oxidation in Allochromatium vinosum' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Christiane Dahl . . . 15816 1 2 John Cort . R. . 15816 1 3 Frauke Grimm . . . 15816 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Allochromatium vinosum' 15816 1 'dsr gene cluster' 15816 1 DsrR 15816 1 IscA 15816 1 'sulfur oxidation' 15816 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15816 _Assembly.ID 1 _Assembly.Name DsrR _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 DsrR 1 $DsrR A . yes native no no . . . 15816 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DsrR _Entity.Sf_category entity _Entity.Sf_framecode DsrR _Entity.Entry_ID 15816 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DsrR _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGLVPRGSH MMFKLTPAAAEQVLKAAKQG GTEGMCLRLAAGRNPDGSID YRMGFDDLTEDDIRLTSEGV EIVIAPDYVSLLDQTTLDYV ELEPGQFHFIFLNPRDPTYR PPSGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'sequence begins with residue -20. The first residue of the native DsrR sequence is Met 1' _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 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13748.496 _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 2K4Z . "Solution Nmr Structure Of Allochromatium Vinosum Dsrr: Northeast Structural Genomics Consortium Target Op5" . . . . . 100.00 125 100.00 100.00 8.67e-86 . . . . 15816 1 2 no GB AAG13087 . "DsrR [Allochromatium vinosum DSM 180]" . . . . . 83.20 104 100.00 100.00 3.29e-69 . . . . 15816 1 3 no GB ADC62203 . "DsrR [Allochromatium vinosum DSM 180]" . . . . . 84.00 121 100.00 100.00 3.55e-70 . . . . 15816 1 4 no REF WP_043796041 . "adhesin [Allochromatium vinosum]" . . . . . 83.20 104 100.00 100.00 3.29e-69 . . . . 15816 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'iron sulfur cluster biosynthesis' 15816 1 'sulfur oxidation' 15816 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 -20 MET . 15816 1 2 -19 GLY . 15816 1 3 -18 SER . 15816 1 4 -17 SER . 15816 1 5 -16 HIS . 15816 1 6 -15 HIS . 15816 1 7 -14 HIS . 15816 1 8 -13 HIS . 15816 1 9 -12 HIS . 15816 1 10 -11 HIS . 15816 1 11 -10 SER . 15816 1 12 -9 SER . 15816 1 13 -8 GLY . 15816 1 14 -7 LEU . 15816 1 15 -6 VAL . 15816 1 16 -5 PRO . 15816 1 17 -4 ARG . 15816 1 18 -3 GLY . 15816 1 19 -2 SER . 15816 1 20 -1 HIS . 15816 1 21 0 MET . 15816 1 22 1 MET . 15816 1 23 2 PHE . 15816 1 24 3 LYS . 15816 1 25 4 LEU . 15816 1 26 5 THR . 15816 1 27 6 PRO . 15816 1 28 7 ALA . 15816 1 29 8 ALA . 15816 1 30 9 ALA . 15816 1 31 10 GLU . 15816 1 32 11 GLN . 15816 1 33 12 VAL . 15816 1 34 13 LEU . 15816 1 35 14 LYS . 15816 1 36 15 ALA . 15816 1 37 16 ALA . 15816 1 38 17 LYS . 15816 1 39 18 GLN . 15816 1 40 19 GLY . 15816 1 41 20 GLY . 15816 1 42 21 THR . 15816 1 43 22 GLU . 15816 1 44 23 GLY . 15816 1 45 24 MET . 15816 1 46 25 CYS . 15816 1 47 26 LEU . 15816 1 48 27 ARG . 15816 1 49 28 LEU . 15816 1 50 29 ALA . 15816 1 51 30 ALA . 15816 1 52 31 GLY . 15816 1 53 32 ARG . 15816 1 54 33 ASN . 15816 1 55 34 PRO . 15816 1 56 35 ASP . 15816 1 57 36 GLY . 15816 1 58 37 SER . 15816 1 59 38 ILE . 15816 1 60 39 ASP . 15816 1 61 40 TYR . 15816 1 62 41 ARG . 15816 1 63 42 MET . 15816 1 64 43 GLY . 15816 1 65 44 PHE . 15816 1 66 45 ASP . 15816 1 67 46 ASP . 15816 1 68 47 LEU . 15816 1 69 48 THR . 15816 1 70 49 GLU . 15816 1 71 50 ASP . 15816 1 72 51 ASP . 15816 1 73 52 ILE . 15816 1 74 53 ARG . 15816 1 75 54 LEU . 15816 1 76 55 THR . 15816 1 77 56 SER . 15816 1 78 57 GLU . 15816 1 79 58 GLY . 15816 1 80 59 VAL . 15816 1 81 60 GLU . 15816 1 82 61 ILE . 15816 1 83 62 VAL . 15816 1 84 63 ILE . 15816 1 85 64 ALA . 15816 1 86 65 PRO . 15816 1 87 66 ASP . 15816 1 88 67 TYR . 15816 1 89 68 VAL . 15816 1 90 69 SER . 15816 1 91 70 LEU . 15816 1 92 71 LEU . 15816 1 93 72 ASP . 15816 1 94 73 GLN . 15816 1 95 74 THR . 15816 1 96 75 THR . 15816 1 97 76 LEU . 15816 1 98 77 ASP . 15816 1 99 78 TYR . 15816 1 100 79 VAL . 15816 1 101 80 GLU . 15816 1 102 81 LEU . 15816 1 103 82 GLU . 15816 1 104 83 PRO . 15816 1 105 84 GLY . 15816 1 106 85 GLN . 15816 1 107 86 PHE . 15816 1 108 87 HIS . 15816 1 109 88 PHE . 15816 1 110 89 ILE . 15816 1 111 90 PHE . 15816 1 112 91 LEU . 15816 1 113 92 ASN . 15816 1 114 93 PRO . 15816 1 115 94 ARG . 15816 1 116 95 ASP . 15816 1 117 96 PRO . 15816 1 118 97 THR . 15816 1 119 98 TYR . 15816 1 120 99 ARG . 15816 1 121 100 PRO . 15816 1 122 101 PRO . 15816 1 123 102 SER . 15816 1 124 103 GLY . 15816 1 125 104 GLY . 15816 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 15816 1 . GLY 2 2 15816 1 . SER 3 3 15816 1 . SER 4 4 15816 1 . HIS 5 5 15816 1 . HIS 6 6 15816 1 . HIS 7 7 15816 1 . HIS 8 8 15816 1 . HIS 9 9 15816 1 . HIS 10 10 15816 1 . SER 11 11 15816 1 . SER 12 12 15816 1 . GLY 13 13 15816 1 . LEU 14 14 15816 1 . VAL 15 15 15816 1 . PRO 16 16 15816 1 . ARG 17 17 15816 1 . GLY 18 18 15816 1 . SER 19 19 15816 1 . HIS 20 20 15816 1 . MET 21 21 15816 1 . MET 22 22 15816 1 . PHE 23 23 15816 1 . LYS 24 24 15816 1 . LEU 25 25 15816 1 . THR 26 26 15816 1 . PRO 27 27 15816 1 . ALA 28 28 15816 1 . ALA 29 29 15816 1 . ALA 30 30 15816 1 . GLU 31 31 15816 1 . GLN 32 32 15816 1 . VAL 33 33 15816 1 . LEU 34 34 15816 1 . LYS 35 35 15816 1 . ALA 36 36 15816 1 . ALA 37 37 15816 1 . LYS 38 38 15816 1 . GLN 39 39 15816 1 . GLY 40 40 15816 1 . GLY 41 41 15816 1 . THR 42 42 15816 1 . GLU 43 43 15816 1 . GLY 44 44 15816 1 . MET 45 45 15816 1 . CYS 46 46 15816 1 . LEU 47 47 15816 1 . ARG 48 48 15816 1 . LEU 49 49 15816 1 . ALA 50 50 15816 1 . ALA 51 51 15816 1 . GLY 52 52 15816 1 . ARG 53 53 15816 1 . ASN 54 54 15816 1 . PRO 55 55 15816 1 . ASP 56 56 15816 1 . GLY 57 57 15816 1 . SER 58 58 15816 1 . ILE 59 59 15816 1 . ASP 60 60 15816 1 . TYR 61 61 15816 1 . ARG 62 62 15816 1 . MET 63 63 15816 1 . GLY 64 64 15816 1 . PHE 65 65 15816 1 . ASP 66 66 15816 1 . ASP 67 67 15816 1 . LEU 68 68 15816 1 . THR 69 69 15816 1 . GLU 70 70 15816 1 . ASP 71 71 15816 1 . ASP 72 72 15816 1 . ILE 73 73 15816 1 . ARG 74 74 15816 1 . LEU 75 75 15816 1 . THR 76 76 15816 1 . SER 77 77 15816 1 . GLU 78 78 15816 1 . GLY 79 79 15816 1 . VAL 80 80 15816 1 . GLU 81 81 15816 1 . ILE 82 82 15816 1 . VAL 83 83 15816 1 . ILE 84 84 15816 1 . ALA 85 85 15816 1 . PRO 86 86 15816 1 . ASP 87 87 15816 1 . TYR 88 88 15816 1 . VAL 89 89 15816 1 . SER 90 90 15816 1 . LEU 91 91 15816 1 . LEU 92 92 15816 1 . ASP 93 93 15816 1 . GLN 94 94 15816 1 . THR 95 95 15816 1 . THR 96 96 15816 1 . LEU 97 97 15816 1 . ASP 98 98 15816 1 . TYR 99 99 15816 1 . VAL 100 100 15816 1 . GLU 101 101 15816 1 . LEU 102 102 15816 1 . GLU 103 103 15816 1 . PRO 104 104 15816 1 . GLY 105 105 15816 1 . GLN 106 106 15816 1 . PHE 107 107 15816 1 . HIS 108 108 15816 1 . PHE 109 109 15816 1 . ILE 110 110 15816 1 . PHE 111 111 15816 1 . LEU 112 112 15816 1 . ASN 113 113 15816 1 . PRO 114 114 15816 1 . ARG 115 115 15816 1 . ASP 116 116 15816 1 . PRO 117 117 15816 1 . THR 118 118 15816 1 . TYR 119 119 15816 1 . ARG 120 120 15816 1 . PRO 121 121 15816 1 . PRO 122 122 15816 1 . SER 123 123 15816 1 . GLY 124 124 15816 1 . GLY 125 125 15816 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 15816 _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 $DsrR . 1049 organism . 'Allochromatium vinosum' 'Allochromatium vinosum' . . Bacteria . Allochromatium vinosum . . . . . . . . . . . . . . . . dsrR . . . . 15816 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 15816 _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 $DsrR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET15 . . . . . . 15816 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15816 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DsrR '[U-10% 13C; U-100% 15N]' . . 1 $DsrR . . 1 . . mM 0.1 . . . 15816 1 2 H2O 'natural abundance' . . . . . . 93 . . % . . . . 15816 1 3 D2O 'natural abundance' . . . . . . 7 . . % . . . . 15816 1 4 'Tris HCl' 'natural abundance' . . . . . . 50 . . mM . . . . 15816 1 5 'sodium chloride' 'natural abundance' . . . . . . 500 . . mM . . . . 15816 1 6 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 15816 1 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15816 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15816 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DsrR '[U-100% 13C; U-100% 15N]' . . 1 $DsrR . . 1 . . mM 0.1 . . . 15816 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 15816 2 3 'Tris HCl' 'natural abundance' . . . . . . 50 . . mM . . . . 15816 2 4 'sodium chloride' 'natural abundance' . . . . . . 500 . . mM . . . . 15816 2 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 15816 2 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15816 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15816 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DsrR '[U-100% 13C; U-100% 15N]' . . 1 $DsrR . . 1 . . mM 0.1 . . . 15816 3 2 H2O 'natural abundance' . . . . . . 93 . . % . . . . 15816 3 3 D2O 'natural abundance' . . . . . . 7 . . % . . . . 15816 3 4 'Tris HCl' 'natural abundance' . . . . . . 50 . . mM . . . . 15816 3 5 'sodium chloride' 'natural abundance' . . . . . . 500 . . mM . . . . 15816 3 6 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 15816 3 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15816 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15816 _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' 625 . mM 15816 1 pH 7.4 . pH 15816 1 pressure 1 . atm 15816 1 temperature 293 . K 15816 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 15816 _Software.ID 1 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 15816 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15816 1 processing 15816 1 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 15816 _Software.ID 2 _Software.Name AutoStruct _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 15816 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15816 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15816 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15816 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15816 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15816 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 15816 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15816 4 'structure solution' 15816 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15816 _Software.ID 5 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15816 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15816 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15816 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15816 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15816 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 15816 1 2 spectrometer_2 Varian INOVA . 750 . . . 15816 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 15816 _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-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15816 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15816 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15816 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15816 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15816 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15816 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15816 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15816 1 9 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15816 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15816 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15816 1 12 '4D 1H-13C-13C-1H HMQC NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15816 1 13 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15816 1 14 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15816 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 15816 _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 0.0 external indirect 0.251449530 . . . . . . . . . 15816 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 15816 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 . . . . . . . . . 15816 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 15816 _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-13C HSQC' . . . 15816 1 3 '3D CBCA(CO)NH' . . . 15816 1 4 '3D HNCACB' . . . 15816 1 5 '3D HCCH-TOCSY' . . . 15816 1 6 '3D HNCO' . . . 15816 1 7 '3D C(CO)NH' . . . 15816 1 8 '3D HBHA(CO)NH' . . . 15816 1 9 '3D HCCH-COSY' . . . 15816 1 13 '2D 1H-13C HSQC' . . . 15816 1 14 '2D 1H-15N HSQC' . . . 15816 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 $Felix . . 15816 1 3 $SPARKY . . 15816 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 21 21 MET H H 1 8.09 0.02 . 1 . . . . 0 MET H . 15816 1 2 . 1 1 21 21 MET HA H 1 4.43 0.02 . 1 . . . . 0 MET HA . 15816 1 3 . 1 1 21 21 MET HB2 H 1 1.97 0.02 . 2 . . . . 0 MET HB2 . 15816 1 4 . 1 1 21 21 MET HB3 H 1 2.03 0.02 . 2 . . . . 0 MET HB3 . 15816 1 5 . 1 1 21 21 MET HE1 H 1 1.96 0.02 . 1 . . . . 0 MET HE . 15816 1 6 . 1 1 21 21 MET HE2 H 1 1.96 0.02 . 1 . . . . 0 MET HE . 15816 1 7 . 1 1 21 21 MET HE3 H 1 1.96 0.02 . 1 . . . . 0 MET HE . 15816 1 8 . 1 1 21 21 MET HG2 H 1 2.39 0.02 . 2 . . . . 0 MET HG2 . 15816 1 9 . 1 1 21 21 MET HG3 H 1 2.50 0.02 . 2 . . . . 0 MET HG3 . 15816 1 10 . 1 1 21 21 MET C C 13 174.4 0.2 . 1 . . . . 0 MET C . 15816 1 11 . 1 1 21 21 MET CA C 13 55.7 0.2 . 1 . . . . 0 MET CA . 15816 1 12 . 1 1 21 21 MET CB C 13 33.0 0.2 . 1 . . . . 0 MET CB . 15816 1 13 . 1 1 21 21 MET CE C 13 17.9 0.2 . 1 . . . . 0 MET CE . 15816 1 14 . 1 1 21 21 MET CG C 13 31.9 0.2 . 1 . . . . 0 MET CG . 15816 1 15 . 1 1 22 22 MET H H 1 8.96 0.02 . 1 . . . . 1 MET H . 15816 1 16 . 1 1 22 22 MET HA H 1 4.75 0.02 . 1 . . . . 1 MET HA . 15816 1 17 . 1 1 22 22 MET HB2 H 1 2.03 0.02 . 2 . . . . 1 MET HB2 . 15816 1 18 . 1 1 22 22 MET HB3 H 1 2.05 0.02 . 2 . . . . 1 MET HB3 . 15816 1 19 . 1 1 22 22 MET HE1 H 1 2.04 0.02 . 1 . . . . 1 MET HE . 15816 1 20 . 1 1 22 22 MET HE2 H 1 2.04 0.02 . 1 . . . . 1 MET HE . 15816 1 21 . 1 1 22 22 MET HE3 H 1 2.04 0.02 . 1 . . . . 1 MET HE . 15816 1 22 . 1 1 22 22 MET HG2 H 1 2.56 0.02 . 2 . . . . 1 MET HG2 . 15816 1 23 . 1 1 22 22 MET HG3 H 1 2.60 0.02 . 2 . . . . 1 MET HG3 . 15816 1 24 . 1 1 22 22 MET C C 13 174.4 0.2 . 1 . . . . 1 MET C . 15816 1 25 . 1 1 22 22 MET CA C 13 55.1 0.2 . 1 . . . . 1 MET CA . 15816 1 26 . 1 1 22 22 MET CB C 13 33.6 0.2 . 1 . . . . 1 MET CB . 15816 1 27 . 1 1 22 22 MET CE C 13 17.1 0.2 . 1 . . . . 1 MET CE . 15816 1 28 . 1 1 22 22 MET CG C 13 31.9 0.2 . 1 . . . . 1 MET CG . 15816 1 29 . 1 1 22 22 MET N N 15 123.9 0.2 . 1 . . . . 1 MET N . 15816 1 30 . 1 1 23 23 PHE H H 1 7.65 0.02 . 1 . . . . 2 PHE H . 15816 1 31 . 1 1 23 23 PHE HA H 1 4.95 0.02 . 1 . . . . 2 PHE HA . 15816 1 32 . 1 1 23 23 PHE HB2 H 1 2.61 0.02 . 2 . . . . 2 PHE HB2 . 15816 1 33 . 1 1 23 23 PHE HB3 H 1 3.05 0.02 . 2 . . . . 2 PHE HB3 . 15816 1 34 . 1 1 23 23 PHE HD1 H 1 7.13 0.02 . 3 . . . . 2 PHE HD1 . 15816 1 35 . 1 1 23 23 PHE HE1 H 1 7.02 0.02 . 3 . . . . 2 PHE HE1 . 15816 1 36 . 1 1 23 23 PHE HZ H 1 6.90 0.02 . 1 . . . . 2 PHE HZ . 15816 1 37 . 1 1 23 23 PHE C C 13 173.2 0.2 . 1 . . . . 2 PHE C . 15816 1 38 . 1 1 23 23 PHE CA C 13 58.2 0.2 . 1 . . . . 2 PHE CA . 15816 1 39 . 1 1 23 23 PHE CB C 13 42.5 0.2 . 1 . . . . 2 PHE CB . 15816 1 40 . 1 1 23 23 PHE CD1 C 13 131.9 0.2 . 3 . . . . 2 PHE CD1 . 15816 1 41 . 1 1 23 23 PHE CE1 C 13 130.1 0.2 . 3 . . . . 2 PHE CE1 . 15816 1 42 . 1 1 23 23 PHE CZ C 13 129.2 0.2 . 1 . . . . 2 PHE CZ . 15816 1 43 . 1 1 23 23 PHE N N 15 123.5 0.2 . 1 . . . . 2 PHE N . 15816 1 44 . 1 1 24 24 LYS H H 1 7.16 0.02 . 1 . . . . 3 LYS H . 15816 1 45 . 1 1 24 24 LYS HA H 1 4.54 0.02 . 1 . . . . 3 LYS HA . 15816 1 46 . 1 1 24 24 LYS HB2 H 1 1.59 0.02 . 2 . . . . 3 LYS HB2 . 15816 1 47 . 1 1 24 24 LYS HB3 H 1 1.66 0.02 . 2 . . . . 3 LYS HB3 . 15816 1 48 . 1 1 24 24 LYS HD2 H 1 1.52 0.02 . 2 . . . . 3 LYS HD2 . 15816 1 49 . 1 1 24 24 LYS HD3 H 1 1.54 0.02 . 2 . . . . 3 LYS HD3 . 15816 1 50 . 1 1 24 24 LYS HE2 H 1 2.83 0.02 . 2 . . . . 3 LYS HE2 . 15816 1 51 . 1 1 24 24 LYS HE3 H 1 2.85 0.02 . 2 . . . . 3 LYS HE3 . 15816 1 52 . 1 1 24 24 LYS HG2 H 1 1.05 0.02 . 2 . . . . 3 LYS HG2 . 15816 1 53 . 1 1 24 24 LYS HG3 H 1 1.18 0.02 . 2 . . . . 3 LYS HG3 . 15816 1 54 . 1 1 24 24 LYS C C 13 172.9 0.2 . 1 . . . . 3 LYS C . 15816 1 55 . 1 1 24 24 LYS CA C 13 54.5 0.2 . 1 . . . . 3 LYS CA . 15816 1 56 . 1 1 24 24 LYS CB C 13 36.3 0.2 . 1 . . . . 3 LYS CB . 15816 1 57 . 1 1 24 24 LYS CD C 13 29.3 0.2 . 1 . . . . 3 LYS CD . 15816 1 58 . 1 1 24 24 LYS CE C 13 42.3 0.2 . 1 . . . . 3 LYS CE . 15816 1 59 . 1 1 24 24 LYS CG C 13 24.3 0.2 . 1 . . . . 3 LYS CG . 15816 1 60 . 1 1 24 24 LYS N N 15 124.3 0.2 . 1 . . . . 3 LYS N . 15816 1 61 . 1 1 25 25 LEU H H 1 8.29 0.02 . 1 . . . . 4 LEU H . 15816 1 62 . 1 1 25 25 LEU HA H 1 5.07 0.02 . 1 . . . . 4 LEU HA . 15816 1 63 . 1 1 25 25 LEU HB2 H 1 1.36 0.02 . 2 . . . . 4 LEU HB2 . 15816 1 64 . 1 1 25 25 LEU HB3 H 1 1.74 0.02 . 2 . . . . 4 LEU HB3 . 15816 1 65 . 1 1 25 25 LEU HD11 H 1 0.94 0.02 . 1 . . . . 4 LEU HD1 . 15816 1 66 . 1 1 25 25 LEU HD12 H 1 0.94 0.02 . 1 . . . . 4 LEU HD1 . 15816 1 67 . 1 1 25 25 LEU HD13 H 1 0.94 0.02 . 1 . . . . 4 LEU HD1 . 15816 1 68 . 1 1 25 25 LEU HD21 H 1 0.82 0.02 . 1 . . . . 4 LEU HD2 . 15816 1 69 . 1 1 25 25 LEU HD22 H 1 0.82 0.02 . 1 . . . . 4 LEU HD2 . 15816 1 70 . 1 1 25 25 LEU HD23 H 1 0.82 0.02 . 1 . . . . 4 LEU HD2 . 15816 1 71 . 1 1 25 25 LEU HG H 1 1.72 0.02 . 1 . . . . 4 LEU HG . 15816 1 72 . 1 1 25 25 LEU C C 13 177.2 0.2 . 1 . . . . 4 LEU C . 15816 1 73 . 1 1 25 25 LEU CA C 13 53.5 0.2 . 1 . . . . 4 LEU CA . 15816 1 74 . 1 1 25 25 LEU CB C 13 44.1 0.2 . 1 . . . . 4 LEU CB . 15816 1 75 . 1 1 25 25 LEU CD1 C 13 26.2 0.2 . 1 . . . . 4 LEU CD1 . 15816 1 76 . 1 1 25 25 LEU CD2 C 13 26.3 0.2 . 1 . . . . 4 LEU CD2 . 15816 1 77 . 1 1 25 25 LEU CG C 13 29.1 0.2 . 1 . . . . 4 LEU CG . 15816 1 78 . 1 1 25 25 LEU N N 15 121.1 0.2 . 1 . . . . 4 LEU N . 15816 1 79 . 1 1 26 26 THR H H 1 8.21 0.02 . 1 . . . . 5 THR H . 15816 1 80 . 1 1 26 26 THR HA H 1 4.63 0.02 . 1 . . . . 5 THR HA . 15816 1 81 . 1 1 26 26 THR HB H 1 4.78 0.02 . 1 . . . . 5 THR HB . 15816 1 82 . 1 1 26 26 THR HG1 H 1 5.75 0.02 . 1 . . . . 5 THR HG1 . 15816 1 83 . 1 1 26 26 THR HG21 H 1 1.13 0.02 . 1 . . . . 5 THR HG2 . 15816 1 84 . 1 1 26 26 THR HG22 H 1 1.13 0.02 . 1 . . . . 5 THR HG2 . 15816 1 85 . 1 1 26 26 THR HG23 H 1 1.13 0.02 . 1 . . . . 5 THR HG2 . 15816 1 86 . 1 1 26 26 THR CA C 13 60.1 0.2 . 1 . . . . 5 THR CA . 15816 1 87 . 1 1 26 26 THR CB C 13 67.9 0.2 . 1 . . . . 5 THR CB . 15816 1 88 . 1 1 26 26 THR CG2 C 13 21.7 0.2 . 1 . . . . 5 THR CG2 . 15816 1 89 . 1 1 26 26 THR N N 15 110.5 0.2 . 1 . . . . 5 THR N . 15816 1 90 . 1 1 27 27 PRO HA H 1 4.14 0.02 . 1 . . . . 6 PRO HA . 15816 1 91 . 1 1 27 27 PRO HB2 H 1 1.96 0.02 . 2 . . . . 6 PRO HB2 . 15816 1 92 . 1 1 27 27 PRO HB3 H 1 2.42 0.02 . 2 . . . . 6 PRO HB3 . 15816 1 93 . 1 1 27 27 PRO HD2 H 1 3.83 0.02 . 2 . . . . 6 PRO HD2 . 15816 1 94 . 1 1 27 27 PRO HD3 H 1 3.96 0.02 . 2 . . . . 6 PRO HD3 . 15816 1 95 . 1 1 27 27 PRO HG2 H 1 2.01 0.02 . 2 . . . . 6 PRO HG2 . 15816 1 96 . 1 1 27 27 PRO HG3 H 1 2.22 0.02 . 2 . . . . 6 PRO HG3 . 15816 1 97 . 1 1 27 27 PRO C C 13 179.0 0.2 . 1 . . . . 6 PRO C . 15816 1 98 . 1 1 27 27 PRO CA C 13 66.4 0.2 . 1 . . . . 6 PRO CA . 15816 1 99 . 1 1 27 27 PRO CB C 13 31.8 0.2 . 1 . . . . 6 PRO CB . 15816 1 100 . 1 1 27 27 PRO CD C 13 50.2 0.2 . 1 . . . . 6 PRO CD . 15816 1 101 . 1 1 27 27 PRO CG C 13 27.9 0.2 . 1 . . . . 6 PRO CG . 15816 1 102 . 1 1 28 28 ALA H H 1 8.49 0.02 . 1 . . . . 7 ALA H . 15816 1 103 . 1 1 28 28 ALA HA H 1 4.25 0.02 . 1 . . . . 7 ALA HA . 15816 1 104 . 1 1 28 28 ALA HB1 H 1 1.69 0.02 . 1 . . . . 7 ALA HB . 15816 1 105 . 1 1 28 28 ALA HB2 H 1 1.69 0.02 . 1 . . . . 7 ALA HB . 15816 1 106 . 1 1 28 28 ALA HB3 H 1 1.69 0.02 . 1 . . . . 7 ALA HB . 15816 1 107 . 1 1 28 28 ALA C C 13 180.9 0.2 . 1 . . . . 7 ALA C . 15816 1 108 . 1 1 28 28 ALA CA C 13 55.0 0.2 . 1 . . . . 7 ALA CA . 15816 1 109 . 1 1 28 28 ALA CB C 13 19.4 0.2 . 1 . . . . 7 ALA CB . 15816 1 110 . 1 1 28 28 ALA N N 15 118.5 0.2 . 1 . . . . 7 ALA N . 15816 1 111 . 1 1 29 29 ALA H H 1 7.82 0.02 . 1 . . . . 8 ALA H . 15816 1 112 . 1 1 29 29 ALA HA H 1 3.98 0.02 . 1 . . . . 8 ALA HA . 15816 1 113 . 1 1 29 29 ALA HB1 H 1 1.46 0.02 . 1 . . . . 8 ALA HB . 15816 1 114 . 1 1 29 29 ALA HB2 H 1 1.46 0.02 . 1 . . . . 8 ALA HB . 15816 1 115 . 1 1 29 29 ALA HB3 H 1 1.46 0.02 . 1 . . . . 8 ALA HB . 15816 1 116 . 1 1 29 29 ALA C C 13 178.9 0.2 . 1 . . . . 8 ALA C . 15816 1 117 . 1 1 29 29 ALA CA C 13 55.0 0.2 . 1 . . . . 8 ALA CA . 15816 1 118 . 1 1 29 29 ALA CB C 13 19.0 0.2 . 1 . . . . 8 ALA CB . 15816 1 119 . 1 1 29 29 ALA N N 15 120.4 0.2 . 1 . . . . 8 ALA N . 15816 1 120 . 1 1 30 30 ALA H H 1 8.78 0.02 . 1 . . . . 9 ALA H . 15816 1 121 . 1 1 30 30 ALA HA H 1 3.84 0.02 . 1 . . . . 9 ALA HA . 15816 1 122 . 1 1 30 30 ALA HB1 H 1 1.57 0.02 . 1 . . . . 9 ALA HB . 15816 1 123 . 1 1 30 30 ALA HB2 H 1 1.57 0.02 . 1 . . . . 9 ALA HB . 15816 1 124 . 1 1 30 30 ALA HB3 H 1 1.57 0.02 . 1 . . . . 9 ALA HB . 15816 1 125 . 1 1 30 30 ALA C C 13 178.5 0.2 . 1 . . . . 9 ALA C . 15816 1 126 . 1 1 30 30 ALA CA C 13 55.5 0.2 . 1 . . . . 9 ALA CA . 15816 1 127 . 1 1 30 30 ALA CB C 13 19.4 0.2 . 1 . . . . 9 ALA CB . 15816 1 128 . 1 1 30 30 ALA N N 15 121.0 0.2 . 1 . . . . 9 ALA N . 15816 1 129 . 1 1 31 31 GLU H H 1 8.14 0.02 . 1 . . . . 10 GLU H . 15816 1 130 . 1 1 31 31 GLU HA H 1 3.94 0.02 . 1 . . . . 10 GLU HA . 15816 1 131 . 1 1 31 31 GLU HB2 H 1 2.01 0.02 . 2 . . . . 10 GLU HB2 . 15816 1 132 . 1 1 31 31 GLU HB3 H 1 2.13 0.02 . 2 . . . . 10 GLU HB3 . 15816 1 133 . 1 1 31 31 GLU HG2 H 1 2.11 0.02 . 2 . . . . 10 GLU HG2 . 15816 1 134 . 1 1 31 31 GLU HG3 H 1 2.30 0.02 . 2 . . . . 10 GLU HG3 . 15816 1 135 . 1 1 31 31 GLU C C 13 179.2 0.2 . 1 . . . . 10 GLU C . 15816 1 136 . 1 1 31 31 GLU CA C 13 59.2 0.2 . 1 . . . . 10 GLU CA . 15816 1 137 . 1 1 31 31 GLU CB C 13 29.7 0.2 . 1 . . . . 10 GLU CB . 15816 1 138 . 1 1 31 31 GLU CG C 13 36.2 0.2 . 1 . . . . 10 GLU CG . 15816 1 139 . 1 1 31 31 GLU N N 15 115.6 0.2 . 1 . . . . 10 GLU N . 15816 1 140 . 1 1 32 32 GLN H H 1 7.06 0.02 . 1 . . . . 11 GLN H . 15816 1 141 . 1 1 32 32 GLN HA H 1 3.91 0.02 . 1 . . . . 11 GLN HA . 15816 1 142 . 1 1 32 32 GLN HB2 H 1 1.37 0.02 . 2 . . . . 11 GLN HB2 . 15816 1 143 . 1 1 32 32 GLN HB3 H 1 1.46 0.02 . 2 . . . . 11 GLN HB3 . 15816 1 144 . 1 1 32 32 GLN HE21 H 1 6.59 0.02 . 2 . . . . 11 GLN HE21 . 15816 1 145 . 1 1 32 32 GLN HE22 H 1 7.33 0.02 . 2 . . . . 11 GLN HE22 . 15816 1 146 . 1 1 32 32 GLN HG2 H 1 1.07 0.02 . 2 . . . . 11 GLN HG2 . 15816 1 147 . 1 1 32 32 GLN HG3 H 1 1.31 0.02 . 2 . . . . 11 GLN HG3 . 15816 1 148 . 1 1 32 32 GLN C C 13 173.8 0.2 . 1 . . . . 11 GLN C . 15816 1 149 . 1 1 32 32 GLN CA C 13 57.4 0.2 . 1 . . . . 11 GLN CA . 15816 1 150 . 1 1 32 32 GLN CB C 13 26.6 0.2 . 1 . . . . 11 GLN CB . 15816 1 151 . 1 1 32 32 GLN CD C 13 178.4 0.2 . 1 . . . . 11 GLN CD . 15816 1 152 . 1 1 32 32 GLN CG C 13 31.7 0.2 . 1 . . . . 11 GLN CG . 15816 1 153 . 1 1 32 32 GLN N N 15 117.3 0.2 . 1 . . . . 11 GLN N . 15816 1 154 . 1 1 32 32 GLN NE2 N 15 111.0 0.2 . 1 . . . . 11 GLN NE2 . 15816 1 155 . 1 1 33 33 VAL H H 1 8.57 0.02 . 1 . . . . 12 VAL H . 15816 1 156 . 1 1 33 33 VAL HA H 1 3.67 0.02 . 1 . . . . 12 VAL HA . 15816 1 157 . 1 1 33 33 VAL HB H 1 2.24 0.02 . 1 . . . . 12 VAL HB . 15816 1 158 . 1 1 33 33 VAL HG11 H 1 1.07 0.02 . 1 . . . . 12 VAL HG1 . 15816 1 159 . 1 1 33 33 VAL HG12 H 1 1.07 0.02 . 1 . . . . 12 VAL HG1 . 15816 1 160 . 1 1 33 33 VAL HG13 H 1 1.07 0.02 . 1 . . . . 12 VAL HG1 . 15816 1 161 . 1 1 33 33 VAL HG21 H 1 0.93 0.02 . 1 . . . . 12 VAL HG2 . 15816 1 162 . 1 1 33 33 VAL HG22 H 1 0.93 0.02 . 1 . . . . 12 VAL HG2 . 15816 1 163 . 1 1 33 33 VAL HG23 H 1 0.93 0.02 . 1 . . . . 12 VAL HG2 . 15816 1 164 . 1 1 33 33 VAL C C 13 177.7 0.2 . 1 . . . . 12 VAL C . 15816 1 165 . 1 1 33 33 VAL CA C 13 67.3 0.2 . 1 . . . . 12 VAL CA . 15816 1 166 . 1 1 33 33 VAL CB C 13 31.6 0.2 . 1 . . . . 12 VAL CB . 15816 1 167 . 1 1 33 33 VAL CG1 C 13 22.7 0.2 . 1 . . . . 12 VAL CG1 . 15816 1 168 . 1 1 33 33 VAL CG2 C 13 23.1 0.2 . 1 . . . . 12 VAL CG2 . 15816 1 169 . 1 1 33 33 VAL N N 15 122.1 0.2 . 1 . . . . 12 VAL N . 15816 1 170 . 1 1 34 34 LEU H H 1 8.39 0.02 . 1 . . . . 13 LEU H . 15816 1 171 . 1 1 34 34 LEU HA H 1 4.11 0.02 . 1 . . . . 13 LEU HA . 15816 1 172 . 1 1 34 34 LEU HB2 H 1 1.45 0.02 . 2 . . . . 13 LEU HB2 . 15816 1 173 . 1 1 34 34 LEU HB3 H 1 1.87 0.02 . 2 . . . . 13 LEU HB3 . 15816 1 174 . 1 1 34 34 LEU HD11 H 1 0.87 0.02 . 1 . . . . 13 LEU HD1 . 15816 1 175 . 1 1 34 34 LEU HD12 H 1 0.87 0.02 . 1 . . . . 13 LEU HD1 . 15816 1 176 . 1 1 34 34 LEU HD13 H 1 0.87 0.02 . 1 . . . . 13 LEU HD1 . 15816 1 177 . 1 1 34 34 LEU HD21 H 1 0.92 0.02 . 1 . . . . 13 LEU HD2 . 15816 1 178 . 1 1 34 34 LEU HD22 H 1 0.92 0.02 . 1 . . . . 13 LEU HD2 . 15816 1 179 . 1 1 34 34 LEU HD23 H 1 0.92 0.02 . 1 . . . . 13 LEU HD2 . 15816 1 180 . 1 1 34 34 LEU HG H 1 1.82 0.02 . 1 . . . . 13 LEU HG . 15816 1 181 . 1 1 34 34 LEU C C 13 180.5 0.2 . 1 . . . . 13 LEU C . 15816 1 182 . 1 1 34 34 LEU CA C 13 58.1 0.2 . 1 . . . . 13 LEU CA . 15816 1 183 . 1 1 34 34 LEU CB C 13 41.1 0.2 . 1 . . . . 13 LEU CB . 15816 1 184 . 1 1 34 34 LEU CD1 C 13 25.3 0.2 . 1 . . . . 13 LEU CD1 . 15816 1 185 . 1 1 34 34 LEU CD2 C 13 22.3 0.2 . 1 . . . . 13 LEU CD2 . 15816 1 186 . 1 1 34 34 LEU CG C 13 27.0 0.2 . 1 . . . . 13 LEU CG . 15816 1 187 . 1 1 34 34 LEU N N 15 118.5 0.2 . 1 . . . . 13 LEU N . 15816 1 188 . 1 1 35 35 LYS H H 1 7.82 0.02 . 1 . . . . 14 LYS H . 15816 1 189 . 1 1 35 35 LYS HA H 1 4.00 0.02 . 1 . . . . 14 LYS HA . 15816 1 190 . 1 1 35 35 LYS HB2 H 1 1.81 0.02 . 2 . . . . 14 LYS HB2 . 15816 1 191 . 1 1 35 35 LYS HB3 H 1 1.87 0.02 . 2 . . . . 14 LYS HB3 . 15816 1 192 . 1 1 35 35 LYS HD2 H 1 1.55 0.02 . 2 . . . . 14 LYS HD2 . 15816 1 193 . 1 1 35 35 LYS HD3 H 1 1.57 0.02 . 2 . . . . 14 LYS HD3 . 15816 1 194 . 1 1 35 35 LYS HE2 H 1 2.85 0.02 . 2 . . . . 14 LYS HE2 . 15816 1 195 . 1 1 35 35 LYS HE3 H 1 2.87 0.02 . 2 . . . . 14 LYS HE3 . 15816 1 196 . 1 1 35 35 LYS HG2 H 1 1.30 0.02 . 2 . . . . 14 LYS HG2 . 15816 1 197 . 1 1 35 35 LYS HG3 H 1 1.53 0.02 . 2 . . . . 14 LYS HG3 . 15816 1 198 . 1 1 35 35 LYS C C 13 179.0 0.2 . 1 . . . . 14 LYS C . 15816 1 199 . 1 1 35 35 LYS CA C 13 59.8 0.2 . 1 . . . . 14 LYS CA . 15816 1 200 . 1 1 35 35 LYS CB C 13 32.6 0.2 . 1 . . . . 14 LYS CB . 15816 1 201 . 1 1 35 35 LYS CD C 13 29.5 0.2 . 1 . . . . 14 LYS CD . 15816 1 202 . 1 1 35 35 LYS CE C 13 42.1 0.2 . 1 . . . . 14 LYS CE . 15816 1 203 . 1 1 35 35 LYS CG C 13 25.1 0.2 . 1 . . . . 14 LYS CG . 15816 1 204 . 1 1 35 35 LYS N N 15 121.1 0.2 . 1 . . . . 14 LYS N . 15816 1 205 . 1 1 36 36 ALA H H 1 8.50 0.02 . 1 . . . . 15 ALA H . 15816 1 206 . 1 1 36 36 ALA HA H 1 4.16 0.02 . 1 . . . . 15 ALA HA . 15816 1 207 . 1 1 36 36 ALA HB1 H 1 1.71 0.02 . 1 . . . . 15 ALA HB . 15816 1 208 . 1 1 36 36 ALA HB2 H 1 1.71 0.02 . 1 . . . . 15 ALA HB . 15816 1 209 . 1 1 36 36 ALA HB3 H 1 1.71 0.02 . 1 . . . . 15 ALA HB . 15816 1 210 . 1 1 36 36 ALA C C 13 181.3 0.2 . 1 . . . . 15 ALA C . 15816 1 211 . 1 1 36 36 ALA CA C 13 54.8 0.2 . 1 . . . . 15 ALA CA . 15816 1 212 . 1 1 36 36 ALA CB C 13 18.0 0.2 . 1 . . . . 15 ALA CB . 15816 1 213 . 1 1 36 36 ALA N N 15 123.2 0.2 . 1 . . . . 15 ALA N . 15816 1 214 . 1 1 37 37 ALA H H 1 8.56 0.02 . 1 . . . . 16 ALA H . 15816 1 215 . 1 1 37 37 ALA HA H 1 3.49 0.02 . 1 . . . . 16 ALA HA . 15816 1 216 . 1 1 37 37 ALA HB1 H 1 1.10 0.02 . 1 . . . . 16 ALA HB . 15816 1 217 . 1 1 37 37 ALA HB2 H 1 1.10 0.02 . 1 . . . . 16 ALA HB . 15816 1 218 . 1 1 37 37 ALA HB3 H 1 1.10 0.02 . 1 . . . . 16 ALA HB . 15816 1 219 . 1 1 37 37 ALA C C 13 179.3 0.2 . 1 . . . . 16 ALA C . 15816 1 220 . 1 1 37 37 ALA CA C 13 53.9 0.2 . 1 . . . . 16 ALA CA . 15816 1 221 . 1 1 37 37 ALA CB C 13 17.9 0.2 . 1 . . . . 16 ALA CB . 15816 1 222 . 1 1 37 37 ALA N N 15 122.7 0.2 . 1 . . . . 16 ALA N . 15816 1 223 . 1 1 38 38 LYS H H 1 7.50 0.02 . 1 . . . . 17 LYS H . 15816 1 224 . 1 1 38 38 LYS HA H 1 3.99 0.02 . 1 . . . . 17 LYS HA . 15816 1 225 . 1 1 38 38 LYS HB2 H 1 1.87 0.02 . 2 . . . . 17 LYS HB2 . 15816 1 226 . 1 1 38 38 LYS HB3 H 1 1.94 0.02 . 2 . . . . 17 LYS HB3 . 15816 1 227 . 1 1 38 38 LYS HD2 H 1 1.64 0.02 . 2 . . . . 17 LYS HD2 . 15816 1 228 . 1 1 38 38 LYS HD3 H 1 1.66 0.02 . 2 . . . . 17 LYS HD3 . 15816 1 229 . 1 1 38 38 LYS HE2 H 1 2.94 0.02 . 2 . . . . 17 LYS HE2 . 15816 1 230 . 1 1 38 38 LYS HE3 H 1 2.96 0.02 . 2 . . . . 17 LYS HE3 . 15816 1 231 . 1 1 38 38 LYS HG2 H 1 1.40 0.02 . 2 . . . . 17 LYS HG2 . 15816 1 232 . 1 1 38 38 LYS HG3 H 1 1.51 0.02 . 2 . . . . 17 LYS HG3 . 15816 1 233 . 1 1 38 38 LYS C C 13 179.7 0.2 . 1 . . . . 17 LYS C . 15816 1 234 . 1 1 38 38 LYS CA C 13 58.8 0.2 . 1 . . . . 17 LYS CA . 15816 1 235 . 1 1 38 38 LYS CB C 13 32.2 0.2 . 1 . . . . 17 LYS CB . 15816 1 236 . 1 1 38 38 LYS CD C 13 29.2 0.2 . 1 . . . . 17 LYS CD . 15816 1 237 . 1 1 38 38 LYS CE C 13 42.0 0.2 . 1 . . . . 17 LYS CE . 15816 1 238 . 1 1 38 38 LYS CG C 13 24.8 0.2 . 1 . . . . 17 LYS CG . 15816 1 239 . 1 1 38 38 LYS N N 15 117.3 0.2 . 1 . . . . 17 LYS N . 15816 1 240 . 1 1 39 39 GLN H H 1 8.21 0.02 . 1 . . . . 18 GLN H . 15816 1 241 . 1 1 39 39 GLN HA H 1 4.07 0.02 . 1 . . . . 18 GLN HA . 15816 1 242 . 1 1 39 39 GLN HB2 H 1 2.08 0.02 . 2 . . . . 18 GLN HB2 . 15816 1 243 . 1 1 39 39 GLN HB3 H 1 2.12 0.02 . 2 . . . . 18 GLN HB3 . 15816 1 244 . 1 1 39 39 GLN HE21 H 1 6.87 0.02 . 2 . . . . 18 GLN HE21 . 15816 1 245 . 1 1 39 39 GLN HE22 H 1 7.48 0.02 . 2 . . . . 18 GLN HE22 . 15816 1 246 . 1 1 39 39 GLN HG2 H 1 2.41 0.02 . 2 . . . . 18 GLN HG2 . 15816 1 247 . 1 1 39 39 GLN HG3 H 1 2.50 0.02 . 2 . . . . 18 GLN HG3 . 15816 1 248 . 1 1 39 39 GLN C C 13 177.8 0.2 . 1 . . . . 18 GLN C . 15816 1 249 . 1 1 39 39 GLN CA C 13 58.1 0.2 . 1 . . . . 18 GLN CA . 15816 1 250 . 1 1 39 39 GLN CB C 13 28.7 0.2 . 1 . . . . 18 GLN CB . 15816 1 251 . 1 1 39 39 GLN CD C 13 180.1 0.2 . 1 . . . . 18 GLN CD . 15816 1 252 . 1 1 39 39 GLN CG C 13 33.9 0.2 . 1 . . . . 18 GLN CG . 15816 1 253 . 1 1 39 39 GLN N N 15 118.3 0.2 . 1 . . . . 18 GLN N . 15816 1 254 . 1 1 39 39 GLN NE2 N 15 111.6 0.2 . 1 . . . . 18 GLN NE2 . 15816 1 255 . 1 1 40 40 GLY H H 1 7.98 0.02 . 1 . . . . 19 GLY H . 15816 1 256 . 1 1 40 40 GLY HA2 H 1 3.87 0.02 . 2 . . . . 19 GLY HA2 . 15816 1 257 . 1 1 40 40 GLY HA3 H 1 4.23 0.02 . 2 . . . . 19 GLY HA3 . 15816 1 258 . 1 1 40 40 GLY C C 13 174.7 0.2 . 1 . . . . 19 GLY C . 15816 1 259 . 1 1 40 40 GLY CA C 13 45.0 0.2 . 1 . . . . 19 GLY CA . 15816 1 260 . 1 1 40 40 GLY N N 15 104.5 0.2 . 1 . . . . 19 GLY N . 15816 1 261 . 1 1 41 41 GLY H H 1 7.65 0.02 . 1 . . . . 20 GLY H . 15816 1 262 . 1 1 41 41 GLY HA2 H 1 4.01 0.02 . 2 . . . . 20 GLY HA2 . 15816 1 263 . 1 1 41 41 GLY HA3 H 1 4.13 0.02 . 2 . . . . 20 GLY HA3 . 15816 1 264 . 1 1 41 41 GLY C C 13 175.7 0.2 . 1 . . . . 20 GLY C . 15816 1 265 . 1 1 41 41 GLY CA C 13 46.6 0.2 . 1 . . . . 20 GLY CA . 15816 1 266 . 1 1 41 41 GLY N N 15 108.9 0.2 . 1 . . . . 20 GLY N . 15816 1 267 . 1 1 42 42 THR H H 1 8.27 0.02 . 1 . . . . 21 THR H . 15816 1 268 . 1 1 42 42 THR HA H 1 4.40 0.02 . 1 . . . . 21 THR HA . 15816 1 269 . 1 1 42 42 THR HB H 1 4.19 0.02 . 1 . . . . 21 THR HB . 15816 1 270 . 1 1 42 42 THR HG21 H 1 0.88 0.02 . 1 . . . . 21 THR HG2 . 15816 1 271 . 1 1 42 42 THR HG22 H 1 0.88 0.02 . 1 . . . . 21 THR HG2 . 15816 1 272 . 1 1 42 42 THR HG23 H 1 0.88 0.02 . 1 . . . . 21 THR HG2 . 15816 1 273 . 1 1 42 42 THR C C 13 174.8 0.2 . 1 . . . . 21 THR C . 15816 1 274 . 1 1 42 42 THR CA C 13 59.6 0.2 . 1 . . . . 21 THR CA . 15816 1 275 . 1 1 42 42 THR CB C 13 68.7 0.2 . 1 . . . . 21 THR CB . 15816 1 276 . 1 1 42 42 THR CG2 C 13 20.6 0.2 . 1 . . . . 21 THR CG2 . 15816 1 277 . 1 1 42 42 THR N N 15 110.2 0.2 . 1 . . . . 21 THR N . 15816 1 278 . 1 1 43 43 GLU H H 1 8.45 0.02 . 1 . . . . 22 GLU H . 15816 1 279 . 1 1 43 43 GLU HA H 1 3.89 0.02 . 1 . . . . 22 GLU HA . 15816 1 280 . 1 1 43 43 GLU HB2 H 1 1.87 0.02 . 2 . . . . 22 GLU HB2 . 15816 1 281 . 1 1 43 43 GLU HB3 H 1 1.93 0.02 . 2 . . . . 22 GLU HB3 . 15816 1 282 . 1 1 43 43 GLU HG2 H 1 2.12 0.02 . 2 . . . . 22 GLU HG2 . 15816 1 283 . 1 1 43 43 GLU HG3 H 1 2.15 0.02 . 2 . . . . 22 GLU HG3 . 15816 1 284 . 1 1 43 43 GLU C C 13 177.3 0.2 . 1 . . . . 22 GLU C . 15816 1 285 . 1 1 43 43 GLU CA C 13 58.6 0.2 . 1 . . . . 22 GLU CA . 15816 1 286 . 1 1 43 43 GLU CB C 13 29.6 0.2 . 1 . . . . 22 GLU CB . 15816 1 287 . 1 1 43 43 GLU CG C 13 36.8 0.2 . 1 . . . . 22 GLU CG . 15816 1 288 . 1 1 43 43 GLU N N 15 122.7 0.2 . 1 . . . . 22 GLU N . 15816 1 289 . 1 1 44 44 GLY H H 1 8.88 0.02 . 1 . . . . 23 GLY H . 15816 1 290 . 1 1 44 44 GLY HA2 H 1 3.83 0.02 . 2 . . . . 23 GLY HA2 . 15816 1 291 . 1 1 44 44 GLY HA3 H 1 4.04 0.02 . 2 . . . . 23 GLY HA3 . 15816 1 292 . 1 1 44 44 GLY C C 13 174.6 0.2 . 1 . . . . 23 GLY C . 15816 1 293 . 1 1 44 44 GLY CA C 13 45.0 0.2 . 1 . . . . 23 GLY CA . 15816 1 294 . 1 1 44 44 GLY N N 15 111.2 0.2 . 1 . . . . 23 GLY N . 15816 1 295 . 1 1 45 45 MET H H 1 7.64 0.02 . 1 . . . . 24 MET H . 15816 1 296 . 1 1 45 45 MET HA H 1 4.64 0.02 . 1 . . . . 24 MET HA . 15816 1 297 . 1 1 45 45 MET HB2 H 1 2.01 0.02 . 2 . . . . 24 MET HB2 . 15816 1 298 . 1 1 45 45 MET HB3 H 1 2.21 0.02 . 2 . . . . 24 MET HB3 . 15816 1 299 . 1 1 45 45 MET HE1 H 1 1.99 0.02 . 1 . . . . 24 MET HE . 15816 1 300 . 1 1 45 45 MET HE2 H 1 1.99 0.02 . 1 . . . . 24 MET HE . 15816 1 301 . 1 1 45 45 MET HE3 H 1 1.99 0.02 . 1 . . . . 24 MET HE . 15816 1 302 . 1 1 45 45 MET HG2 H 1 2.39 0.02 . 2 . . . . 24 MET HG2 . 15816 1 303 . 1 1 45 45 MET HG3 H 1 2.42 0.02 . 2 . . . . 24 MET HG3 . 15816 1 304 . 1 1 45 45 MET C C 13 175.7 0.2 . 1 . . . . 24 MET C . 15816 1 305 . 1 1 45 45 MET CA C 13 55.8 0.2 . 1 . . . . 24 MET CA . 15816 1 306 . 1 1 45 45 MET CB C 13 34.4 0.2 . 1 . . . . 24 MET CB . 15816 1 307 . 1 1 45 45 MET CE C 13 17.1 0.2 . 1 . . . . 24 MET CE . 15816 1 308 . 1 1 45 45 MET CG C 13 33.2 0.2 . 1 . . . . 24 MET CG . 15816 1 309 . 1 1 45 45 MET N N 15 118.8 0.2 . 1 . . . . 24 MET N . 15816 1 310 . 1 1 46 46 CYS H H 1 8.38 0.02 . 1 . . . . 25 CYS H . 15816 1 311 . 1 1 46 46 CYS HA H 1 4.64 0.02 . 1 . . . . 25 CYS HA . 15816 1 312 . 1 1 46 46 CYS HB2 H 1 2.57 0.02 . 2 . . . . 25 CYS HB2 . 15816 1 313 . 1 1 46 46 CYS HB3 H 1 2.70 0.02 . 2 . . . . 25 CYS HB3 . 15816 1 314 . 1 1 46 46 CYS C C 13 173.0 0.2 . 1 . . . . 25 CYS C . 15816 1 315 . 1 1 46 46 CYS CA C 13 58.2 0.2 . 1 . . . . 25 CYS CA . 15816 1 316 . 1 1 46 46 CYS CB C 13 30.3 0.2 . 1 . . . . 25 CYS CB . 15816 1 317 . 1 1 46 46 CYS N N 15 118.4 0.2 . 1 . . . . 25 CYS N . 15816 1 318 . 1 1 47 47 LEU H H 1 9.02 0.02 . 1 . . . . 26 LEU H . 15816 1 319 . 1 1 47 47 LEU HA H 1 4.29 0.02 . 1 . . . . 26 LEU HA . 15816 1 320 . 1 1 47 47 LEU HB2 H 1 0.88 0.02 . 2 . . . . 26 LEU HB2 . 15816 1 321 . 1 1 47 47 LEU HB3 H 1 1.91 0.02 . 2 . . . . 26 LEU HB3 . 15816 1 322 . 1 1 47 47 LEU HD11 H 1 0.21 0.02 . 1 . . . . 26 LEU HD1 . 15816 1 323 . 1 1 47 47 LEU HD12 H 1 0.21 0.02 . 1 . . . . 26 LEU HD1 . 15816 1 324 . 1 1 47 47 LEU HD13 H 1 0.21 0.02 . 1 . . . . 26 LEU HD1 . 15816 1 325 . 1 1 47 47 LEU HD21 H 1 0.64 0.02 . 1 . . . . 26 LEU HD2 . 15816 1 326 . 1 1 47 47 LEU HD22 H 1 0.64 0.02 . 1 . . . . 26 LEU HD2 . 15816 1 327 . 1 1 47 47 LEU HD23 H 1 0.64 0.02 . 1 . . . . 26 LEU HD2 . 15816 1 328 . 1 1 47 47 LEU HG H 1 1.08 0.02 . 1 . . . . 26 LEU HG . 15816 1 329 . 1 1 47 47 LEU C C 13 173.6 0.2 . 1 . . . . 26 LEU C . 15816 1 330 . 1 1 47 47 LEU CA C 13 54.2 0.2 . 1 . . . . 26 LEU CA . 15816 1 331 . 1 1 47 47 LEU CB C 13 43.0 0.2 . 1 . . . . 26 LEU CB . 15816 1 332 . 1 1 47 47 LEU CD1 C 13 22.6 0.2 . 1 . . . . 26 LEU CD1 . 15816 1 333 . 1 1 47 47 LEU CD2 C 13 26.0 0.2 . 1 . . . . 26 LEU CD2 . 15816 1 334 . 1 1 47 47 LEU CG C 13 27.0 0.2 . 1 . . . . 26 LEU CG . 15816 1 335 . 1 1 47 47 LEU N N 15 123.9 0.2 . 1 . . . . 26 LEU N . 15816 1 336 . 1 1 48 48 ARG H H 1 9.17 0.02 . 1 . . . . 27 ARG H . 15816 1 337 . 1 1 48 48 ARG HA H 1 5.28 0.02 . 1 . . . . 27 ARG HA . 15816 1 338 . 1 1 48 48 ARG HB2 H 1 1.28 0.02 . 2 . . . . 27 ARG HB2 . 15816 1 339 . 1 1 48 48 ARG HB3 H 1 1.44 0.02 . 2 . . . . 27 ARG HB3 . 15816 1 340 . 1 1 48 48 ARG HD2 H 1 2.75 0.02 . 2 . . . . 27 ARG HD2 . 15816 1 341 . 1 1 48 48 ARG HD3 H 1 3.44 0.02 . 2 . . . . 27 ARG HD3 . 15816 1 342 . 1 1 48 48 ARG HE H 1 9.05 0.02 . 1 . . . . 27 ARG HE . 15816 1 343 . 1 1 48 48 ARG C C 13 176.0 0.2 . 1 . . . . 27 ARG C . 15816 1 344 . 1 1 48 48 ARG CA C 13 54.4 0.2 . 1 . . . . 27 ARG CA . 15816 1 345 . 1 1 48 48 ARG CB C 13 30.8 0.2 . 1 . . . . 27 ARG CB . 15816 1 346 . 1 1 48 48 ARG CD C 13 41.4 0.2 . 1 . . . . 27 ARG CD . 15816 1 347 . 1 1 48 48 ARG CG C 13 27.6 0.2 . 1 . . . . 27 ARG CG . 15816 1 348 . 1 1 48 48 ARG N N 15 129.4 0.2 . 1 . . . . 27 ARG N . 15816 1 349 . 1 1 48 48 ARG NE N 15 80.6 0.2 . 1 . . . . 27 ARG NE . 15816 1 350 . 1 1 49 49 LEU H H 1 7.55 0.02 . 1 . . . . 28 LEU H . 15816 1 351 . 1 1 49 49 LEU HA H 1 5.23 0.02 . 1 . . . . 28 LEU HA . 15816 1 352 . 1 1 49 49 LEU HB2 H 1 1.19 0.02 . 2 . . . . 28 LEU HB2 . 15816 1 353 . 1 1 49 49 LEU HB3 H 1 1.29 0.02 . 2 . . . . 28 LEU HB3 . 15816 1 354 . 1 1 49 49 LEU HD11 H 1 0.37 0.02 . 1 . . . . 28 LEU HD1 . 15816 1 355 . 1 1 49 49 LEU HD12 H 1 0.37 0.02 . 1 . . . . 28 LEU HD1 . 15816 1 356 . 1 1 49 49 LEU HD13 H 1 0.37 0.02 . 1 . . . . 28 LEU HD1 . 15816 1 357 . 1 1 49 49 LEU HD21 H 1 0.75 0.02 . 1 . . . . 28 LEU HD2 . 15816 1 358 . 1 1 49 49 LEU HD22 H 1 0.75 0.02 . 1 . . . . 28 LEU HD2 . 15816 1 359 . 1 1 49 49 LEU HD23 H 1 0.75 0.02 . 1 . . . . 28 LEU HD2 . 15816 1 360 . 1 1 49 49 LEU HG H 1 1.36 0.02 . 1 . . . . 28 LEU HG . 15816 1 361 . 1 1 49 49 LEU C C 13 175.6 0.2 . 1 . . . . 28 LEU C . 15816 1 362 . 1 1 49 49 LEU CA C 13 52.0 0.2 . 1 . . . . 28 LEU CA . 15816 1 363 . 1 1 49 49 LEU CB C 13 45.7 0.2 . 1 . . . . 28 LEU CB . 15816 1 364 . 1 1 49 49 LEU CD1 C 13 26.5 0.2 . 1 . . . . 28 LEU CD1 . 15816 1 365 . 1 1 49 49 LEU CD2 C 13 24.4 0.2 . 1 . . . . 28 LEU CD2 . 15816 1 366 . 1 1 49 49 LEU CG C 13 27.5 0.2 . 1 . . . . 28 LEU CG . 15816 1 367 . 1 1 49 49 LEU N N 15 125.7 0.2 . 1 . . . . 28 LEU N . 15816 1 368 . 1 1 50 50 ALA H H 1 8.31 0.02 . 1 . . . . 29 ALA H . 15816 1 369 . 1 1 50 50 ALA HA H 1 3.65 0.02 . 1 . . . . 29 ALA HA . 15816 1 370 . 1 1 50 50 ALA HB1 H 1 0.54 0.02 . 1 . . . . 29 ALA HB . 15816 1 371 . 1 1 50 50 ALA HB2 H 1 0.54 0.02 . 1 . . . . 29 ALA HB . 15816 1 372 . 1 1 50 50 ALA HB3 H 1 0.54 0.02 . 1 . . . . 29 ALA HB . 15816 1 373 . 1 1 50 50 ALA C C 13 173.7 0.2 . 1 . . . . 29 ALA C . 15816 1 374 . 1 1 50 50 ALA CA C 13 50.6 0.2 . 1 . . . . 29 ALA CA . 15816 1 375 . 1 1 50 50 ALA CB C 13 22.4 0.2 . 1 . . . . 29 ALA CB . 15816 1 376 . 1 1 50 50 ALA N N 15 120.8 0.2 . 1 . . . . 29 ALA N . 15816 1 377 . 1 1 51 51 ALA H H 1 5.77 0.02 . 1 . . . . 30 ALA H . 15816 1 378 . 1 1 51 51 ALA HA H 1 4.91 0.02 . 1 . . . . 30 ALA HA . 15816 1 379 . 1 1 51 51 ALA HB1 H 1 0.92 0.02 . 1 . . . . 30 ALA HB . 15816 1 380 . 1 1 51 51 ALA HB2 H 1 0.92 0.02 . 1 . . . . 30 ALA HB . 15816 1 381 . 1 1 51 51 ALA HB3 H 1 0.92 0.02 . 1 . . . . 30 ALA HB . 15816 1 382 . 1 1 51 51 ALA C C 13 174.9 0.2 . 1 . . . . 30 ALA C . 15816 1 383 . 1 1 51 51 ALA CA C 13 50.9 0.2 . 1 . . . . 30 ALA CA . 15816 1 384 . 1 1 51 51 ALA CB C 13 23.1 0.2 . 1 . . . . 30 ALA CB . 15816 1 385 . 1 1 51 51 ALA N N 15 117.8 0.2 . 1 . . . . 30 ALA N . 15816 1 386 . 1 1 52 52 GLY H H 1 8.13 0.02 . 1 . . . . 31 GLY H . 15816 1 387 . 1 1 52 52 GLY HA2 H 1 3.69 0.02 . 2 . . . . 31 GLY HA2 . 15816 1 388 . 1 1 52 52 GLY HA3 H 1 4.24 0.02 . 2 . . . . 31 GLY HA3 . 15816 1 389 . 1 1 52 52 GLY C C 13 171.2 0.2 . 1 . . . . 31 GLY C . 15816 1 390 . 1 1 52 52 GLY CA C 13 44.4 0.2 . 1 . . . . 31 GLY CA . 15816 1 391 . 1 1 52 52 GLY N N 15 106.4 0.2 . 1 . . . . 31 GLY N . 15816 1 392 . 1 1 53 53 ARG H H 1 8.60 0.02 . 1 . . . . 32 ARG H . 15816 1 393 . 1 1 53 53 ARG HA H 1 4.70 0.02 . 1 . . . . 32 ARG HA . 15816 1 394 . 1 1 53 53 ARG HB2 H 1 1.57 0.02 . 2 . . . . 32 ARG HB2 . 15816 1 395 . 1 1 53 53 ARG HB3 H 1 1.73 0.02 . 2 . . . . 32 ARG HB3 . 15816 1 396 . 1 1 53 53 ARG HD2 H 1 3.06 0.02 . 2 . . . . 32 ARG HD2 . 15816 1 397 . 1 1 53 53 ARG HD3 H 1 3.08 0.02 . 2 . . . . 32 ARG HD3 . 15816 1 398 . 1 1 53 53 ARG HG2 H 1 1.53 0.02 . 2 . . . . 32 ARG HG2 . 15816 1 399 . 1 1 53 53 ARG HG3 H 1 1.58 0.02 . 2 . . . . 32 ARG HG3 . 15816 1 400 . 1 1 53 53 ARG C C 13 176.3 0.2 . 1 . . . . 32 ARG C . 15816 1 401 . 1 1 53 53 ARG CA C 13 55.0 0.2 . 1 . . . . 32 ARG CA . 15816 1 402 . 1 1 53 53 ARG CB C 13 31.5 0.2 . 1 . . . . 32 ARG CB . 15816 1 403 . 1 1 53 53 ARG CD C 13 43.2 0.2 . 1 . . . . 32 ARG CD . 15816 1 404 . 1 1 53 53 ARG CG C 13 27.1 0.2 . 1 . . . . 32 ARG CG . 15816 1 405 . 1 1 53 53 ARG N N 15 121.5 0.2 . 1 . . . . 32 ARG N . 15816 1 406 . 1 1 54 54 ASN H H 1 9.06 0.02 . 1 . . . . 33 ASN H . 15816 1 407 . 1 1 54 54 ASN HA H 1 4.94 0.02 . 1 . . . . 33 ASN HA . 15816 1 408 . 1 1 54 54 ASN HB2 H 1 2.67 0.02 . 2 . . . . 33 ASN HB2 . 15816 1 409 . 1 1 54 54 ASN HB3 H 1 2.77 0.02 . 2 . . . . 33 ASN HB3 . 15816 1 410 . 1 1 54 54 ASN HD21 H 1 6.97 0.02 . 2 . . . . 33 ASN HD21 . 15816 1 411 . 1 1 54 54 ASN HD22 H 1 7.63 0.02 . 2 . . . . 33 ASN HD22 . 15816 1 412 . 1 1 54 54 ASN CA C 13 52.1 0.2 . 1 . . . . 33 ASN CA . 15816 1 413 . 1 1 54 54 ASN CB C 13 38.0 0.2 . 1 . . . . 33 ASN CB . 15816 1 414 . 1 1 54 54 ASN CG C 13 176.6 0.2 . 1 . . . . 33 ASN CG . 15816 1 415 . 1 1 54 54 ASN N N 15 125.2 0.2 . 1 . . . . 33 ASN N . 15816 1 416 . 1 1 54 54 ASN ND2 N 15 115.6 0.2 . 1 . . . . 33 ASN ND2 . 15816 1 417 . 1 1 55 55 PRO HA H 1 4.33 0.02 . 1 . . . . 34 PRO HA . 15816 1 418 . 1 1 55 55 PRO HB2 H 1 1.92 0.02 . 2 . . . . 34 PRO HB2 . 15816 1 419 . 1 1 55 55 PRO HB3 H 1 2.40 0.02 . 2 . . . . 34 PRO HB3 . 15816 1 420 . 1 1 55 55 PRO HD2 H 1 3.76 0.02 . 2 . . . . 34 PRO HD2 . 15816 1 421 . 1 1 55 55 PRO HD3 H 1 3.87 0.02 . 2 . . . . 34 PRO HD3 . 15816 1 422 . 1 1 55 55 PRO HG2 H 1 2.01 0.02 . 2 . . . . 34 PRO HG2 . 15816 1 423 . 1 1 55 55 PRO HG3 H 1 2.11 0.02 . 2 . . . . 34 PRO HG3 . 15816 1 424 . 1 1 55 55 PRO C C 13 176.7 0.2 . 1 . . . . 34 PRO C . 15816 1 425 . 1 1 55 55 PRO CA C 13 65.6 0.2 . 1 . . . . 34 PRO CA . 15816 1 426 . 1 1 55 55 PRO CB C 13 31.7 0.2 . 1 . . . . 34 PRO CB . 15816 1 427 . 1 1 55 55 PRO CD C 13 50.7 0.2 . 1 . . . . 34 PRO CD . 15816 1 428 . 1 1 55 55 PRO CG C 13 27.6 0.2 . 1 . . . . 34 PRO CG . 15816 1 429 . 1 1 56 56 ASP H H 1 7.77 0.02 . 1 . . . . 35 ASP H . 15816 1 430 . 1 1 56 56 ASP HA H 1 4.50 0.02 . 1 . . . . 35 ASP HA . 15816 1 431 . 1 1 56 56 ASP HB2 H 1 2.63 0.02 . 2 . . . . 35 ASP HB2 . 15816 1 432 . 1 1 56 56 ASP HB3 H 1 3.09 0.02 . 2 . . . . 35 ASP HB3 . 15816 1 433 . 1 1 56 56 ASP C C 13 177.0 0.2 . 1 . . . . 35 ASP C . 15816 1 434 . 1 1 56 56 ASP CA C 13 53.4 0.2 . 1 . . . . 35 ASP CA . 15816 1 435 . 1 1 56 56 ASP CB C 13 39.7 0.2 . 1 . . . . 35 ASP CB . 15816 1 436 . 1 1 56 56 ASP N N 15 113.6 0.2 . 1 . . . . 35 ASP N . 15816 1 437 . 1 1 57 57 GLY H H 1 8.32 0.02 . 1 . . . . 36 GLY H . 15816 1 438 . 1 1 57 57 GLY HA2 H 1 3.55 0.02 . 2 . . . . 36 GLY HA2 . 15816 1 439 . 1 1 57 57 GLY HA3 H 1 4.42 0.02 . 2 . . . . 36 GLY HA3 . 15816 1 440 . 1 1 57 57 GLY C C 13 174.3 0.2 . 1 . . . . 36 GLY C . 15816 1 441 . 1 1 57 57 GLY CA C 13 45.1 0.2 . 1 . . . . 36 GLY CA . 15816 1 442 . 1 1 57 57 GLY N N 15 109.3 0.2 . 1 . . . . 36 GLY N . 15816 1 443 . 1 1 58 58 SER H H 1 8.23 0.02 . 1 . . . . 37 SER H . 15816 1 444 . 1 1 58 58 SER HA H 1 4.38 0.02 . 1 . . . . 37 SER HA . 15816 1 445 . 1 1 58 58 SER HB2 H 1 3.99 0.02 . 2 . . . . 37 SER HB2 . 15816 1 446 . 1 1 58 58 SER HB3 H 1 4.08 0.02 . 2 . . . . 37 SER HB3 . 15816 1 447 . 1 1 58 58 SER C C 13 172.4 0.2 . 1 . . . . 37 SER C . 15816 1 448 . 1 1 58 58 SER CA C 13 58.3 0.2 . 1 . . . . 37 SER CA . 15816 1 449 . 1 1 58 58 SER CB C 13 64.6 0.2 . 1 . . . . 37 SER CB . 15816 1 450 . 1 1 58 58 SER N N 15 117.1 0.2 . 1 . . . . 37 SER N . 15816 1 451 . 1 1 59 59 ILE H H 1 8.29 0.02 . 1 . . . . 38 ILE H . 15816 1 452 . 1 1 59 59 ILE HA H 1 4.38 0.02 . 1 . . . . 38 ILE HA . 15816 1 453 . 1 1 59 59 ILE HB H 1 1.45 0.02 . 1 . . . . 38 ILE HB . 15816 1 454 . 1 1 59 59 ILE HD11 H 1 0.68 0.02 . 1 . . . . 38 ILE HD1 . 15816 1 455 . 1 1 59 59 ILE HD12 H 1 0.68 0.02 . 1 . . . . 38 ILE HD1 . 15816 1 456 . 1 1 59 59 ILE HD13 H 1 0.68 0.02 . 1 . . . . 38 ILE HD1 . 15816 1 457 . 1 1 59 59 ILE HG12 H 1 0.86 0.02 . 2 . . . . 38 ILE HG12 . 15816 1 458 . 1 1 59 59 ILE HG13 H 1 1.44 0.02 . 2 . . . . 38 ILE HG13 . 15816 1 459 . 1 1 59 59 ILE HG21 H 1 -0.11 0.02 . 1 . . . . 38 ILE HG2 . 15816 1 460 . 1 1 59 59 ILE HG22 H 1 -0.11 0.02 . 1 . . . . 38 ILE HG2 . 15816 1 461 . 1 1 59 59 ILE HG23 H 1 -0.11 0.02 . 1 . . . . 38 ILE HG2 . 15816 1 462 . 1 1 59 59 ILE C C 13 174.6 0.2 . 1 . . . . 38 ILE C . 15816 1 463 . 1 1 59 59 ILE CA C 13 59.9 0.2 . 1 . . . . 38 ILE CA . 15816 1 464 . 1 1 59 59 ILE CB C 13 39.3 0.2 . 1 . . . . 38 ILE CB . 15816 1 465 . 1 1 59 59 ILE CD1 C 13 12.5 0.2 . 1 . . . . 38 ILE CD1 . 15816 1 466 . 1 1 59 59 ILE CG1 C 13 27.9 0.2 . 1 . . . . 38 ILE CG1 . 15816 1 467 . 1 1 59 59 ILE CG2 C 13 17.3 0.2 . 1 . . . . 38 ILE CG2 . 15816 1 468 . 1 1 59 59 ILE N N 15 120.0 0.2 . 1 . . . . 38 ILE N . 15816 1 469 . 1 1 60 60 ASP H H 1 8.47 0.02 . 1 . . . . 39 ASP H . 15816 1 470 . 1 1 60 60 ASP HA H 1 4.77 0.02 . 1 . . . . 39 ASP HA . 15816 1 471 . 1 1 60 60 ASP HB2 H 1 2.35 0.02 . 2 . . . . 39 ASP HB2 . 15816 1 472 . 1 1 60 60 ASP HB3 H 1 2.41 0.02 . 2 . . . . 39 ASP HB3 . 15816 1 473 . 1 1 60 60 ASP C C 13 174.7 0.2 . 1 . . . . 39 ASP C . 15816 1 474 . 1 1 60 60 ASP CA C 13 52.2 0.2 . 1 . . . . 39 ASP CA . 15816 1 475 . 1 1 60 60 ASP CB C 13 42.8 0.2 . 1 . . . . 39 ASP CB . 15816 1 476 . 1 1 60 60 ASP N N 15 126.8 0.2 . 1 . . . . 39 ASP N . 15816 1 477 . 1 1 61 61 TYR H H 1 8.23 0.02 . 1 . . . . 40 TYR H . 15816 1 478 . 1 1 61 61 TYR HA H 1 4.44 0.02 . 1 . . . . 40 TYR HA . 15816 1 479 . 1 1 61 61 TYR HB2 H 1 1.66 0.02 . 2 . . . . 40 TYR HB2 . 15816 1 480 . 1 1 61 61 TYR HB3 H 1 2.05 0.02 . 2 . . . . 40 TYR HB3 . 15816 1 481 . 1 1 61 61 TYR HD1 H 1 6.58 0.02 . 3 . . . . 40 TYR HD1 . 15816 1 482 . 1 1 61 61 TYR HE1 H 1 6.57 0.02 . 3 . . . . 40 TYR HE1 . 15816 1 483 . 1 1 61 61 TYR C C 13 174.9 0.2 . 1 . . . . 40 TYR C . 15816 1 484 . 1 1 61 61 TYR CA C 13 58.1 0.2 . 1 . . . . 40 TYR CA . 15816 1 485 . 1 1 61 61 TYR CB C 13 40.5 0.2 . 1 . . . . 40 TYR CB . 15816 1 486 . 1 1 61 61 TYR CD1 C 13 133.2 0.2 . 3 . . . . 40 TYR CD1 . 15816 1 487 . 1 1 61 61 TYR CE1 C 13 117.2 0.2 . 3 . . . . 40 TYR CE1 . 15816 1 488 . 1 1 61 61 TYR N N 15 123.0 0.2 . 1 . . . . 40 TYR N . 15816 1 489 . 1 1 62 62 ARG H H 1 8.31 0.02 . 1 . . . . 41 ARG H . 15816 1 490 . 1 1 62 62 ARG HA H 1 4.66 0.02 . 1 . . . . 41 ARG HA . 15816 1 491 . 1 1 62 62 ARG HB2 H 1 1.27 0.02 . 2 . . . . 41 ARG HB2 . 15816 1 492 . 1 1 62 62 ARG HB3 H 1 1.61 0.02 . 2 . . . . 41 ARG HB3 . 15816 1 493 . 1 1 62 62 ARG HD2 H 1 2.86 0.02 . 2 . . . . 41 ARG HD2 . 15816 1 494 . 1 1 62 62 ARG HD3 H 1 3.00 0.02 . 2 . . . . 41 ARG HD3 . 15816 1 495 . 1 1 62 62 ARG HG2 H 1 1.27 0.02 . 2 . . . . 41 ARG HG2 . 15816 1 496 . 1 1 62 62 ARG HG3 H 1 1.30 0.02 . 2 . . . . 41 ARG HG3 . 15816 1 497 . 1 1 62 62 ARG C C 13 173.8 0.2 . 1 . . . . 41 ARG C . 15816 1 498 . 1 1 62 62 ARG CA C 13 54.7 0.2 . 1 . . . . 41 ARG CA . 15816 1 499 . 1 1 62 62 ARG CB C 13 33.4 0.2 . 1 . . . . 41 ARG CB . 15816 1 500 . 1 1 62 62 ARG CD C 13 43.3 0.2 . 1 . . . . 41 ARG CD . 15816 1 501 . 1 1 62 62 ARG CG C 13 26.9 0.2 . 1 . . . . 41 ARG CG . 15816 1 502 . 1 1 62 62 ARG N N 15 120.9 0.2 . 1 . . . . 41 ARG N . 15816 1 503 . 1 1 63 63 MET H H 1 8.40 0.02 . 1 . . . . 42 MET H . 15816 1 504 . 1 1 63 63 MET HA H 1 5.43 0.02 . 1 . . . . 42 MET HA . 15816 1 505 . 1 1 63 63 MET HB2 H 1 1.66 0.02 . 2 . . . . 42 MET HB2 . 15816 1 506 . 1 1 63 63 MET HB3 H 1 1.83 0.02 . 2 . . . . 42 MET HB3 . 15816 1 507 . 1 1 63 63 MET HE1 H 1 1.04 0.02 . 1 . . . . 42 MET HE . 15816 1 508 . 1 1 63 63 MET HE2 H 1 1.04 0.02 . 1 . . . . 42 MET HE . 15816 1 509 . 1 1 63 63 MET HE3 H 1 1.04 0.02 . 1 . . . . 42 MET HE . 15816 1 510 . 1 1 63 63 MET HG2 H 1 2.15 0.02 . 2 . . . . 42 MET HG2 . 15816 1 511 . 1 1 63 63 MET HG3 H 1 2.30 0.02 . 2 . . . . 42 MET HG3 . 15816 1 512 . 1 1 63 63 MET C C 13 174.6 0.2 . 1 . . . . 42 MET C . 15816 1 513 . 1 1 63 63 MET CA C 13 53.7 0.2 . 1 . . . . 42 MET CA . 15816 1 514 . 1 1 63 63 MET CB C 13 38.0 0.2 . 1 . . . . 42 MET CB . 15816 1 515 . 1 1 63 63 MET CE C 13 16.2 0.2 . 1 . . . . 42 MET CE . 15816 1 516 . 1 1 63 63 MET CG C 13 30.5 0.2 . 1 . . . . 42 MET CG . 15816 1 517 . 1 1 63 63 MET N N 15 117.6 0.2 . 1 . . . . 42 MET N . 15816 1 518 . 1 1 64 64 GLY H H 1 8.05 0.02 . 1 . . . . 43 GLY H . 15816 1 519 . 1 1 64 64 GLY HA2 H 1 3.83 0.02 . 2 . . . . 43 GLY HA2 . 15816 1 520 . 1 1 64 64 GLY HA3 H 1 3.93 0.02 . 2 . . . . 43 GLY HA3 . 15816 1 521 . 1 1 64 64 GLY C C 13 170.8 0.2 . 1 . . . . 43 GLY C . 15816 1 522 . 1 1 64 64 GLY CA C 13 44.8 0.2 . 1 . . . . 43 GLY CA . 15816 1 523 . 1 1 64 64 GLY N N 15 108.7 0.2 . 1 . . . . 43 GLY N . 15816 1 524 . 1 1 65 65 PHE H H 1 8.63 0.02 . 1 . . . . 44 PHE H . 15816 1 525 . 1 1 65 65 PHE HA H 1 5.50 0.02 . 1 . . . . 44 PHE HA . 15816 1 526 . 1 1 65 65 PHE HB2 H 1 2.81 0.02 . 2 . . . . 44 PHE HB2 . 15816 1 527 . 1 1 65 65 PHE HB3 H 1 3.06 0.02 . 2 . . . . 44 PHE HB3 . 15816 1 528 . 1 1 65 65 PHE HD1 H 1 7.17 0.02 . 3 . . . . 44 PHE HD1 . 15816 1 529 . 1 1 65 65 PHE HE1 H 1 7.16 0.02 . 3 . . . . 44 PHE HE1 . 15816 1 530 . 1 1 65 65 PHE HZ H 1 7.47 0.02 . 1 . . . . 44 PHE HZ . 15816 1 531 . 1 1 65 65 PHE C C 13 176.2 0.2 . 1 . . . . 44 PHE C . 15816 1 532 . 1 1 65 65 PHE CA C 13 58.2 0.2 . 1 . . . . 44 PHE CA . 15816 1 533 . 1 1 65 65 PHE CB C 13 40.3 0.2 . 1 . . . . 44 PHE CB . 15816 1 534 . 1 1 65 65 PHE CD1 C 13 131.8 0.2 . 3 . . . . 44 PHE CD1 . 15816 1 535 . 1 1 65 65 PHE CE1 C 13 131.0 0.2 . 3 . . . . 44 PHE CE1 . 15816 1 536 . 1 1 65 65 PHE CZ C 13 129.8 0.2 . 1 . . . . 44 PHE CZ . 15816 1 537 . 1 1 65 65 PHE N N 15 119.8 0.2 . 1 . . . . 44 PHE N . 15816 1 538 . 1 1 66 66 ASP H H 1 9.41 0.02 . 1 . . . . 45 ASP H . 15816 1 539 . 1 1 66 66 ASP HA H 1 4.97 0.02 . 1 . . . . 45 ASP HA . 15816 1 540 . 1 1 66 66 ASP HB2 H 1 2.23 0.02 . 2 . . . . 45 ASP HB2 . 15816 1 541 . 1 1 66 66 ASP HB3 H 1 2.60 0.02 . 2 . . . . 45 ASP HB3 . 15816 1 542 . 1 1 66 66 ASP C C 13 174.2 0.2 . 1 . . . . 45 ASP C . 15816 1 543 . 1 1 66 66 ASP CA C 13 53.1 0.2 . 1 . . . . 45 ASP CA . 15816 1 544 . 1 1 66 66 ASP CB C 13 45.6 0.2 . 1 . . . . 45 ASP CB . 15816 1 545 . 1 1 66 66 ASP N N 15 121.2 0.2 . 1 . . . . 45 ASP N . 15816 1 546 . 1 1 67 67 ASP H H 1 8.01 0.02 . 1 . . . . 46 ASP H . 15816 1 547 . 1 1 67 67 ASP HA H 1 4.91 0.02 . 1 . . . . 46 ASP HA . 15816 1 548 . 1 1 67 67 ASP HB2 H 1 2.36 0.02 . 2 . . . . 46 ASP HB2 . 15816 1 549 . 1 1 67 67 ASP HB3 H 1 2.70 0.02 . 2 . . . . 46 ASP HB3 . 15816 1 550 . 1 1 67 67 ASP C C 13 175.2 0.2 . 1 . . . . 46 ASP C . 15816 1 551 . 1 1 67 67 ASP CA C 13 53.4 0.2 . 1 . . . . 46 ASP CA . 15816 1 552 . 1 1 67 67 ASP CB C 13 43.1 0.2 . 1 . . . . 46 ASP CB . 15816 1 553 . 1 1 67 67 ASP N N 15 119.5 0.2 . 1 . . . . 46 ASP N . 15816 1 554 . 1 1 68 68 LEU H H 1 8.12 0.02 . 1 . . . . 47 LEU H . 15816 1 555 . 1 1 68 68 LEU HA H 1 4.34 0.02 . 1 . . . . 47 LEU HA . 15816 1 556 . 1 1 68 68 LEU HB2 H 1 1.67 0.02 . 2 . . . . 47 LEU HB2 . 15816 1 557 . 1 1 68 68 LEU HB3 H 1 1.72 0.02 . 2 . . . . 47 LEU HB3 . 15816 1 558 . 1 1 68 68 LEU HD11 H 1 0.75 0.02 . 1 . . . . 47 LEU HD1 . 15816 1 559 . 1 1 68 68 LEU HD12 H 1 0.75 0.02 . 1 . . . . 47 LEU HD1 . 15816 1 560 . 1 1 68 68 LEU HD13 H 1 0.75 0.02 . 1 . . . . 47 LEU HD1 . 15816 1 561 . 1 1 68 68 LEU HD21 H 1 0.81 0.02 . 1 . . . . 47 LEU HD2 . 15816 1 562 . 1 1 68 68 LEU HD22 H 1 0.81 0.02 . 1 . . . . 47 LEU HD2 . 15816 1 563 . 1 1 68 68 LEU HD23 H 1 0.81 0.02 . 1 . . . . 47 LEU HD2 . 15816 1 564 . 1 1 68 68 LEU HG H 1 1.61 0.02 . 1 . . . . 47 LEU HG . 15816 1 565 . 1 1 68 68 LEU C C 13 176.7 0.2 . 1 . . . . 47 LEU C . 15816 1 566 . 1 1 68 68 LEU CA C 13 55.2 0.2 . 1 . . . . 47 LEU CA . 15816 1 567 . 1 1 68 68 LEU CB C 13 44.0 0.2 . 1 . . . . 47 LEU CB . 15816 1 568 . 1 1 68 68 LEU CD1 C 13 26.4 0.2 . 1 . . . . 47 LEU CD1 . 15816 1 569 . 1 1 68 68 LEU CD2 C 13 25.6 0.2 . 1 . . . . 47 LEU CD2 . 15816 1 570 . 1 1 68 68 LEU CG C 13 26.4 0.2 . 1 . . . . 47 LEU CG . 15816 1 571 . 1 1 68 68 LEU N N 15 120.4 0.2 . 1 . . . . 47 LEU N . 15816 1 572 . 1 1 69 69 THR H H 1 9.36 0.02 . 1 . . . . 48 THR H . 15816 1 573 . 1 1 69 69 THR HA H 1 4.75 0.02 . 1 . . . . 48 THR HA . 15816 1 574 . 1 1 69 69 THR HB H 1 4.39 0.02 . 1 . . . . 48 THR HB . 15816 1 575 . 1 1 69 69 THR HG21 H 1 1.18 0.02 . 1 . . . . 48 THR HG2 . 15816 1 576 . 1 1 69 69 THR HG22 H 1 1.18 0.02 . 1 . . . . 48 THR HG2 . 15816 1 577 . 1 1 69 69 THR HG23 H 1 1.18 0.02 . 1 . . . . 48 THR HG2 . 15816 1 578 . 1 1 69 69 THR C C 13 175.5 0.2 . 1 . . . . 48 THR C . 15816 1 579 . 1 1 69 69 THR CA C 13 60.1 0.2 . 1 . . . . 48 THR CA . 15816 1 580 . 1 1 69 69 THR CB C 13 71.7 0.2 . 1 . . . . 48 THR CB . 15816 1 581 . 1 1 69 69 THR CG2 C 13 21.1 0.2 . 1 . . . . 48 THR CG2 . 15816 1 582 . 1 1 69 69 THR N N 15 117.6 0.2 . 1 . . . . 48 THR N . 15816 1 583 . 1 1 70 70 GLU H H 1 8.75 0.02 . 1 . . . . 49 GLU H . 15816 1 584 . 1 1 70 70 GLU HA H 1 4.04 0.02 . 1 . . . . 49 GLU HA . 15816 1 585 . 1 1 70 70 GLU HB2 H 1 1.99 0.02 . 2 . . . . 49 GLU HB2 . 15816 1 586 . 1 1 70 70 GLU HB3 H 1 2.05 0.02 . 2 . . . . 49 GLU HB3 . 15816 1 587 . 1 1 70 70 GLU HG2 H 1 2.27 0.02 . 2 . . . . 49 GLU HG2 . 15816 1 588 . 1 1 70 70 GLU HG3 H 1 2.29 0.02 . 2 . . . . 49 GLU HG3 . 15816 1 589 . 1 1 70 70 GLU C C 13 176.4 0.2 . 1 . . . . 49 GLU C . 15816 1 590 . 1 1 70 70 GLU CA C 13 58.7 0.2 . 1 . . . . 49 GLU CA . 15816 1 591 . 1 1 70 70 GLU CB C 13 29.6 0.2 . 1 . . . . 49 GLU CB . 15816 1 592 . 1 1 70 70 GLU CG C 13 36.1 0.2 . 1 . . . . 49 GLU CG . 15816 1 593 . 1 1 70 70 GLU N N 15 119.7 0.2 . 1 . . . . 49 GLU N . 15816 1 594 . 1 1 71 71 ASP H H 1 7.95 0.02 . 1 . . . . 50 ASP H . 15816 1 595 . 1 1 71 71 ASP HA H 1 4.60 0.02 . 1 . . . . 50 ASP HA . 15816 1 596 . 1 1 71 71 ASP HB2 H 1 2.53 0.02 . 2 . . . . 50 ASP HB2 . 15816 1 597 . 1 1 71 71 ASP HB3 H 1 2.65 0.02 . 2 . . . . 50 ASP HB3 . 15816 1 598 . 1 1 71 71 ASP C C 13 175.9 0.2 . 1 . . . . 50 ASP C . 15816 1 599 . 1 1 71 71 ASP CA C 13 54.4 0.2 . 1 . . . . 50 ASP CA . 15816 1 600 . 1 1 71 71 ASP CB C 13 41.6 0.2 . 1 . . . . 50 ASP CB . 15816 1 601 . 1 1 71 71 ASP N N 15 115.9 0.2 . 1 . . . . 50 ASP N . 15816 1 602 . 1 1 72 72 ASP H H 1 7.04 0.02 . 1 . . . . 51 ASP H . 15816 1 603 . 1 1 72 72 ASP HA H 1 4.54 0.02 . 1 . . . . 51 ASP HA . 15816 1 604 . 1 1 72 72 ASP HB2 H 1 2.33 0.02 . 2 . . . . 51 ASP HB2 . 15816 1 605 . 1 1 72 72 ASP HB3 H 1 2.57 0.02 . 2 . . . . 51 ASP HB3 . 15816 1 606 . 1 1 72 72 ASP C C 13 177.3 0.2 . 1 . . . . 51 ASP C . 15816 1 607 . 1 1 72 72 ASP CA C 13 56.5 0.2 . 1 . . . . 51 ASP CA . 15816 1 608 . 1 1 72 72 ASP CB C 13 42.0 0.2 . 1 . . . . 51 ASP CB . 15816 1 609 . 1 1 72 72 ASP N N 15 117.5 0.2 . 1 . . . . 51 ASP N . 15816 1 610 . 1 1 73 73 ILE H H 1 8.83 0.02 . 1 . . . . 52 ILE H . 15816 1 611 . 1 1 73 73 ILE HA H 1 4.11 0.02 . 1 . . . . 52 ILE HA . 15816 1 612 . 1 1 73 73 ILE HB H 1 2.12 0.02 . 1 . . . . 52 ILE HB . 15816 1 613 . 1 1 73 73 ILE HD11 H 1 0.88 0.02 . 1 . . . . 52 ILE HD1 . 15816 1 614 . 1 1 73 73 ILE HD12 H 1 0.88 0.02 . 1 . . . . 52 ILE HD1 . 15816 1 615 . 1 1 73 73 ILE HD13 H 1 0.88 0.02 . 1 . . . . 52 ILE HD1 . 15816 1 616 . 1 1 73 73 ILE HG12 H 1 1.43 0.02 . 2 . . . . 52 ILE HG12 . 15816 1 617 . 1 1 73 73 ILE HG13 H 1 1.45 0.02 . 2 . . . . 52 ILE HG13 . 15816 1 618 . 1 1 73 73 ILE HG21 H 1 0.83 0.02 . 1 . . . . 52 ILE HG2 . 15816 1 619 . 1 1 73 73 ILE HG22 H 1 0.83 0.02 . 1 . . . . 52 ILE HG2 . 15816 1 620 . 1 1 73 73 ILE HG23 H 1 0.83 0.02 . 1 . . . . 52 ILE HG2 . 15816 1 621 . 1 1 73 73 ILE C C 13 174.5 0.2 . 1 . . . . 52 ILE C . 15816 1 622 . 1 1 73 73 ILE CA C 13 61.5 0.2 . 1 . . . . 52 ILE CA . 15816 1 623 . 1 1 73 73 ILE CB C 13 37.0 0.2 . 1 . . . . 52 ILE CB . 15816 1 624 . 1 1 73 73 ILE CD1 C 13 13.5 0.2 . 1 . . . . 52 ILE CD1 . 15816 1 625 . 1 1 73 73 ILE CG1 C 13 30.4 0.2 . 1 . . . . 52 ILE CG1 . 15816 1 626 . 1 1 73 73 ILE CG2 C 13 18.9 0.2 . 1 . . . . 52 ILE CG2 . 15816 1 627 . 1 1 73 73 ILE N N 15 123.5 0.2 . 1 . . . . 52 ILE N . 15816 1 628 . 1 1 74 74 ARG H H 1 8.18 0.02 . 1 . . . . 53 ARG H . 15816 1 629 . 1 1 74 74 ARG HA H 1 5.38 0.02 . 1 . . . . 53 ARG HA . 15816 1 630 . 1 1 74 74 ARG HB2 H 1 1.60 0.02 . 2 . . . . 53 ARG HB2 . 15816 1 631 . 1 1 74 74 ARG HB3 H 1 1.83 0.02 . 2 . . . . 53 ARG HB3 . 15816 1 632 . 1 1 74 74 ARG HD2 H 1 3.04 0.02 . 2 . . . . 53 ARG HD2 . 15816 1 633 . 1 1 74 74 ARG HD3 H 1 3.19 0.02 . 2 . . . . 53 ARG HD3 . 15816 1 634 . 1 1 74 74 ARG HG2 H 1 1.46 0.02 . 2 . . . . 53 ARG HG2 . 15816 1 635 . 1 1 74 74 ARG HG3 H 1 1.60 0.02 . 2 . . . . 53 ARG HG3 . 15816 1 636 . 1 1 74 74 ARG C C 13 175.5 0.2 . 1 . . . . 53 ARG C . 15816 1 637 . 1 1 74 74 ARG CA C 13 54.3 0.2 . 1 . . . . 53 ARG CA . 15816 1 638 . 1 1 74 74 ARG CB C 13 32.7 0.2 . 1 . . . . 53 ARG CB . 15816 1 639 . 1 1 74 74 ARG CD C 13 44.0 0.2 . 1 . . . . 53 ARG CD . 15816 1 640 . 1 1 74 74 ARG CG C 13 26.6 0.2 . 1 . . . . 53 ARG CG . 15816 1 641 . 1 1 74 74 ARG N N 15 125.9 0.2 . 1 . . . . 53 ARG N . 15816 1 642 . 1 1 75 75 LEU H H 1 8.97 0.02 . 1 . . . . 54 LEU H . 15816 1 643 . 1 1 75 75 LEU HA H 1 4.83 0.02 . 1 . . . . 54 LEU HA . 15816 1 644 . 1 1 75 75 LEU HB2 H 1 1.58 0.02 . 2 . . . . 54 LEU HB2 . 15816 1 645 . 1 1 75 75 LEU HB3 H 1 1.77 0.02 . 2 . . . . 54 LEU HB3 . 15816 1 646 . 1 1 75 75 LEU HD11 H 1 0.88 0.02 . 1 . . . . 54 LEU HD1 . 15816 1 647 . 1 1 75 75 LEU HD12 H 1 0.88 0.02 . 1 . . . . 54 LEU HD1 . 15816 1 648 . 1 1 75 75 LEU HD13 H 1 0.88 0.02 . 1 . . . . 54 LEU HD1 . 15816 1 649 . 1 1 75 75 LEU HD21 H 1 0.90 0.02 . 1 . . . . 54 LEU HD2 . 15816 1 650 . 1 1 75 75 LEU HD22 H 1 0.90 0.02 . 1 . . . . 54 LEU HD2 . 15816 1 651 . 1 1 75 75 LEU HD23 H 1 0.90 0.02 . 1 . . . . 54 LEU HD2 . 15816 1 652 . 1 1 75 75 LEU HG H 1 1.52 0.02 . 1 . . . . 54 LEU HG . 15816 1 653 . 1 1 75 75 LEU C C 13 174.7 0.2 . 1 . . . . 54 LEU C . 15816 1 654 . 1 1 75 75 LEU CA C 13 54.3 0.2 . 1 . . . . 54 LEU CA . 15816 1 655 . 1 1 75 75 LEU CB C 13 45.4 0.2 . 1 . . . . 54 LEU CB . 15816 1 656 . 1 1 75 75 LEU CD1 C 13 27.1 0.2 . 1 . . . . 54 LEU CD1 . 15816 1 657 . 1 1 75 75 LEU CD2 C 13 25.5 0.2 . 1 . . . . 54 LEU CD2 . 15816 1 658 . 1 1 75 75 LEU CG C 13 26.8 0.2 . 1 . . . . 54 LEU CG . 15816 1 659 . 1 1 75 75 LEU N N 15 124.1 0.2 . 1 . . . . 54 LEU N . 15816 1 660 . 1 1 76 76 THR H H 1 8.45 0.02 . 1 . . . . 55 THR H . 15816 1 661 . 1 1 76 76 THR HA H 1 5.38 0.02 . 1 . . . . 55 THR HA . 15816 1 662 . 1 1 76 76 THR HB H 1 3.89 0.02 . 1 . . . . 55 THR HB . 15816 1 663 . 1 1 76 76 THR HG21 H 1 1.06 0.02 . 1 . . . . 55 THR HG2 . 15816 1 664 . 1 1 76 76 THR HG22 H 1 1.06 0.02 . 1 . . . . 55 THR HG2 . 15816 1 665 . 1 1 76 76 THR HG23 H 1 1.06 0.02 . 1 . . . . 55 THR HG2 . 15816 1 666 . 1 1 76 76 THR C C 13 174.5 0.2 . 1 . . . . 55 THR C . 15816 1 667 . 1 1 76 76 THR CA C 13 60.7 0.2 . 1 . . . . 55 THR CA . 15816 1 668 . 1 1 76 76 THR CB C 13 70.6 0.2 . 1 . . . . 55 THR CB . 15816 1 669 . 1 1 76 76 THR CG2 C 13 21.2 0.2 . 1 . . . . 55 THR CG2 . 15816 1 670 . 1 1 76 76 THR N N 15 115.2 0.2 . 1 . . . . 55 THR N . 15816 1 671 . 1 1 77 77 SER H H 1 8.78 0.02 . 1 . . . . 56 SER H . 15816 1 672 . 1 1 77 77 SER HA H 1 4.71 0.02 . 1 . . . . 56 SER HA . 15816 1 673 . 1 1 77 77 SER HB2 H 1 3.57 0.02 . 2 . . . . 56 SER HB2 . 15816 1 674 . 1 1 77 77 SER HB3 H 1 3.83 0.02 . 2 . . . . 56 SER HB3 . 15816 1 675 . 1 1 77 77 SER C C 13 173.8 0.2 . 1 . . . . 56 SER C . 15816 1 676 . 1 1 77 77 SER CA C 13 57.4 0.2 . 1 . . . . 56 SER CA . 15816 1 677 . 1 1 77 77 SER CB C 13 64.4 0.2 . 1 . . . . 56 SER CB . 15816 1 678 . 1 1 77 77 SER N N 15 120.0 0.2 . 1 . . . . 56 SER N . 15816 1 679 . 1 1 78 78 GLU H H 1 9.18 0.02 . 1 . . . . 57 GLU H . 15816 1 680 . 1 1 78 78 GLU HA H 1 3.80 0.02 . 1 . . . . 57 GLU HA . 15816 1 681 . 1 1 78 78 GLU HB2 H 1 1.82 0.02 . 2 . . . . 57 GLU HB2 . 15816 1 682 . 1 1 78 78 GLU HB3 H 1 2.14 0.02 . 2 . . . . 57 GLU HB3 . 15816 1 683 . 1 1 78 78 GLU HG2 H 1 1.98 0.02 . 2 . . . . 57 GLU HG2 . 15816 1 684 . 1 1 78 78 GLU HG3 H 1 2.27 0.02 . 2 . . . . 57 GLU HG3 . 15816 1 685 . 1 1 78 78 GLU C C 13 175.7 0.2 . 1 . . . . 57 GLU C . 15816 1 686 . 1 1 78 78 GLU CA C 13 56.5 0.2 . 1 . . . . 57 GLU CA . 15816 1 687 . 1 1 78 78 GLU CB C 13 27.3 0.2 . 1 . . . . 57 GLU CB . 15816 1 688 . 1 1 78 78 GLU CG C 13 35.0 0.2 . 1 . . . . 57 GLU CG . 15816 1 689 . 1 1 78 78 GLU N N 15 124.7 0.2 . 1 . . . . 57 GLU N . 15816 1 690 . 1 1 79 79 GLY H H 1 8.34 0.02 . 1 . . . . 58 GLY H . 15816 1 691 . 1 1 79 79 GLY HA2 H 1 3.52 0.02 . 2 . . . . 58 GLY HA2 . 15816 1 692 . 1 1 79 79 GLY HA3 H 1 4.12 0.02 . 2 . . . . 58 GLY HA3 . 15816 1 693 . 1 1 79 79 GLY C C 13 173.8 0.2 . 1 . . . . 58 GLY C . 15816 1 694 . 1 1 79 79 GLY CA C 13 45.1 0.2 . 1 . . . . 58 GLY CA . 15816 1 695 . 1 1 79 79 GLY N N 15 101.7 0.2 . 1 . . . . 58 GLY N . 15816 1 696 . 1 1 80 80 VAL H H 1 8.07 0.02 . 1 . . . . 59 VAL H . 15816 1 697 . 1 1 80 80 VAL HA H 1 4.07 0.02 . 1 . . . . 59 VAL HA . 15816 1 698 . 1 1 80 80 VAL HB H 1 2.33 0.02 . 1 . . . . 59 VAL HB . 15816 1 699 . 1 1 80 80 VAL HG11 H 1 0.91 0.02 . 1 . . . . 59 VAL HG1 . 15816 1 700 . 1 1 80 80 VAL HG12 H 1 0.91 0.02 . 1 . . . . 59 VAL HG1 . 15816 1 701 . 1 1 80 80 VAL HG13 H 1 0.91 0.02 . 1 . . . . 59 VAL HG1 . 15816 1 702 . 1 1 80 80 VAL HG21 H 1 0.89 0.02 . 1 . . . . 59 VAL HG2 . 15816 1 703 . 1 1 80 80 VAL HG22 H 1 0.89 0.02 . 1 . . . . 59 VAL HG2 . 15816 1 704 . 1 1 80 80 VAL HG23 H 1 0.89 0.02 . 1 . . . . 59 VAL HG2 . 15816 1 705 . 1 1 80 80 VAL C C 13 174.6 0.2 . 1 . . . . 59 VAL C . 15816 1 706 . 1 1 80 80 VAL CA C 13 61.7 0.2 . 1 . . . . 59 VAL CA . 15816 1 707 . 1 1 80 80 VAL CB C 13 33.3 0.2 . 1 . . . . 59 VAL CB . 15816 1 708 . 1 1 80 80 VAL CG1 C 13 22.4 0.2 . 1 . . . . 59 VAL CG1 . 15816 1 709 . 1 1 80 80 VAL CG2 C 13 22.0 0.2 . 1 . . . . 59 VAL CG2 . 15816 1 710 . 1 1 80 80 VAL N N 15 123.2 0.2 . 1 . . . . 59 VAL N . 15816 1 711 . 1 1 81 81 GLU H H 1 8.55 0.02 . 1 . . . . 60 GLU H . 15816 1 712 . 1 1 81 81 GLU HA H 1 4.77 0.02 . 1 . . . . 60 GLU HA . 15816 1 713 . 1 1 81 81 GLU HB2 H 1 1.98 0.02 . 2 . . . . 60 GLU HB2 . 15816 1 714 . 1 1 81 81 GLU HB3 H 1 2.12 0.02 . 2 . . . . 60 GLU HB3 . 15816 1 715 . 1 1 81 81 GLU HG2 H 1 2.19 0.02 . 2 . . . . 60 GLU HG2 . 15816 1 716 . 1 1 81 81 GLU HG3 H 1 2.26 0.02 . 2 . . . . 60 GLU HG3 . 15816 1 717 . 1 1 81 81 GLU C C 13 174.7 0.2 . 1 . . . . 60 GLU C . 15816 1 718 . 1 1 81 81 GLU CA C 13 56.0 0.2 . 1 . . . . 60 GLU CA . 15816 1 719 . 1 1 81 81 GLU CB C 13 30.8 0.2 . 1 . . . . 60 GLU CB . 15816 1 720 . 1 1 81 81 GLU CG C 13 36.1 0.2 . 1 . . . . 60 GLU CG . 15816 1 721 . 1 1 81 81 GLU N N 15 127.3 0.2 . 1 . . . . 60 GLU N . 15816 1 722 . 1 1 82 82 ILE H H 1 9.17 0.02 . 1 . . . . 61 ILE H . 15816 1 723 . 1 1 82 82 ILE HA H 1 5.20 0.02 . 1 . . . . 61 ILE HA . 15816 1 724 . 1 1 82 82 ILE HB H 1 1.55 0.02 . 1 . . . . 61 ILE HB . 15816 1 725 . 1 1 82 82 ILE HD11 H 1 0.85 0.02 . 1 . . . . 61 ILE HD1 . 15816 1 726 . 1 1 82 82 ILE HD12 H 1 0.85 0.02 . 1 . . . . 61 ILE HD1 . 15816 1 727 . 1 1 82 82 ILE HD13 H 1 0.85 0.02 . 1 . . . . 61 ILE HD1 . 15816 1 728 . 1 1 82 82 ILE HG12 H 1 1.01 0.02 . 2 . . . . 61 ILE HG12 . 15816 1 729 . 1 1 82 82 ILE HG13 H 1 1.60 0.02 . 2 . . . . 61 ILE HG13 . 15816 1 730 . 1 1 82 82 ILE HG21 H 1 0.62 0.02 . 1 . . . . 61 ILE HG2 . 15816 1 731 . 1 1 82 82 ILE HG22 H 1 0.62 0.02 . 1 . . . . 61 ILE HG2 . 15816 1 732 . 1 1 82 82 ILE HG23 H 1 0.62 0.02 . 1 . . . . 61 ILE HG2 . 15816 1 733 . 1 1 82 82 ILE C C 13 175.8 0.2 . 1 . . . . 61 ILE C . 15816 1 734 . 1 1 82 82 ILE CA C 13 59.4 0.2 . 1 . . . . 61 ILE CA . 15816 1 735 . 1 1 82 82 ILE CB C 13 41.2 0.2 . 1 . . . . 61 ILE CB . 15816 1 736 . 1 1 82 82 ILE CD1 C 13 15.4 0.2 . 1 . . . . 61 ILE CD1 . 15816 1 737 . 1 1 82 82 ILE CG1 C 13 28.6 0.2 . 1 . . . . 61 ILE CG1 . 15816 1 738 . 1 1 82 82 ILE CG2 C 13 18.0 0.2 . 1 . . . . 61 ILE CG2 . 15816 1 739 . 1 1 82 82 ILE N N 15 127.6 0.2 . 1 . . . . 61 ILE N . 15816 1 740 . 1 1 83 83 VAL H H 1 8.73 0.02 . 1 . . . . 62 VAL H . 15816 1 741 . 1 1 83 83 VAL HA H 1 5.48 0.02 . 1 . . . . 62 VAL HA . 15816 1 742 . 1 1 83 83 VAL HB H 1 1.81 0.02 . 1 . . . . 62 VAL HB . 15816 1 743 . 1 1 83 83 VAL HG11 H 1 0.88 0.02 . 1 . . . . 62 VAL HG1 . 15816 1 744 . 1 1 83 83 VAL HG12 H 1 0.88 0.02 . 1 . . . . 62 VAL HG1 . 15816 1 745 . 1 1 83 83 VAL HG13 H 1 0.88 0.02 . 1 . . . . 62 VAL HG1 . 15816 1 746 . 1 1 83 83 VAL HG21 H 1 0.56 0.02 . 1 . . . . 62 VAL HG2 . 15816 1 747 . 1 1 83 83 VAL HG22 H 1 0.56 0.02 . 1 . . . . 62 VAL HG2 . 15816 1 748 . 1 1 83 83 VAL HG23 H 1 0.56 0.02 . 1 . . . . 62 VAL HG2 . 15816 1 749 . 1 1 83 83 VAL C C 13 174.3 0.2 . 1 . . . . 62 VAL C . 15816 1 750 . 1 1 83 83 VAL CA C 13 58.2 0.2 . 1 . . . . 62 VAL CA . 15816 1 751 . 1 1 83 83 VAL CB C 13 35.2 0.2 . 1 . . . . 62 VAL CB . 15816 1 752 . 1 1 83 83 VAL CG1 C 13 24.3 0.2 . 1 . . . . 62 VAL CG1 . 15816 1 753 . 1 1 83 83 VAL CG2 C 13 17.6 0.2 . 1 . . . . 62 VAL CG2 . 15816 1 754 . 1 1 83 83 VAL N N 15 118.1 0.2 . 1 . . . . 62 VAL N . 15816 1 755 . 1 1 84 84 ILE H H 1 8.32 0.02 . 1 . . . . 63 ILE H . 15816 1 756 . 1 1 84 84 ILE HA H 1 4.31 0.02 . 1 . . . . 63 ILE HA . 15816 1 757 . 1 1 84 84 ILE HB H 1 1.41 0.02 . 1 . . . . 63 ILE HB . 15816 1 758 . 1 1 84 84 ILE HD11 H 1 0.41 0.02 . 1 . . . . 63 ILE HD1 . 15816 1 759 . 1 1 84 84 ILE HD12 H 1 0.41 0.02 . 1 . . . . 63 ILE HD1 . 15816 1 760 . 1 1 84 84 ILE HD13 H 1 0.41 0.02 . 1 . . . . 63 ILE HD1 . 15816 1 761 . 1 1 84 84 ILE HG12 H 1 0.72 0.02 . 2 . . . . 63 ILE HG12 . 15816 1 762 . 1 1 84 84 ILE HG13 H 1 1.31 0.02 . 2 . . . . 63 ILE HG13 . 15816 1 763 . 1 1 84 84 ILE HG21 H 1 0.91 0.02 . 1 . . . . 63 ILE HG2 . 15816 1 764 . 1 1 84 84 ILE HG22 H 1 0.91 0.02 . 1 . . . . 63 ILE HG2 . 15816 1 765 . 1 1 84 84 ILE HG23 H 1 0.91 0.02 . 1 . . . . 63 ILE HG2 . 15816 1 766 . 1 1 84 84 ILE C C 13 174.6 0.2 . 1 . . . . 63 ILE C . 15816 1 767 . 1 1 84 84 ILE CA C 13 60.1 0.2 . 1 . . . . 63 ILE CA . 15816 1 768 . 1 1 84 84 ILE CB C 13 43.4 0.2 . 1 . . . . 63 ILE CB . 15816 1 769 . 1 1 84 84 ILE CD1 C 13 14.4 0.2 . 1 . . . . 63 ILE CD1 . 15816 1 770 . 1 1 84 84 ILE CG1 C 13 28.0 0.2 . 1 . . . . 63 ILE CG1 . 15816 1 771 . 1 1 84 84 ILE CG2 C 13 18.4 0.2 . 1 . . . . 63 ILE CG2 . 15816 1 772 . 1 1 84 84 ILE N N 15 120.1 0.2 . 1 . . . . 63 ILE N . 15816 1 773 . 1 1 85 85 ALA H H 1 9.17 0.02 . 1 . . . . 64 ALA H . 15816 1 774 . 1 1 85 85 ALA HA H 1 4.81 0.02 . 1 . . . . 64 ALA HA . 15816 1 775 . 1 1 85 85 ALA HB1 H 1 1.51 0.02 . 1 . . . . 64 ALA HB . 15816 1 776 . 1 1 85 85 ALA HB2 H 1 1.51 0.02 . 1 . . . . 64 ALA HB . 15816 1 777 . 1 1 85 85 ALA HB3 H 1 1.51 0.02 . 1 . . . . 64 ALA HB . 15816 1 778 . 1 1 85 85 ALA CA C 13 51.5 0.2 . 1 . . . . 64 ALA CA . 15816 1 779 . 1 1 85 85 ALA CB C 13 17.1 0.2 . 1 . . . . 64 ALA CB . 15816 1 780 . 1 1 85 85 ALA N N 15 130.6 0.2 . 1 . . . . 64 ALA N . 15816 1 781 . 1 1 86 86 PRO HA H 1 4.16 0.02 . 1 . . . . 65 PRO HA . 15816 1 782 . 1 1 86 86 PRO HB2 H 1 1.93 0.02 . 2 . . . . 65 PRO HB2 . 15816 1 783 . 1 1 86 86 PRO HB3 H 1 2.29 0.02 . 2 . . . . 65 PRO HB3 . 15816 1 784 . 1 1 86 86 PRO HD2 H 1 3.70 0.02 . 2 . . . . 65 PRO HD2 . 15816 1 785 . 1 1 86 86 PRO HD3 H 1 3.91 0.02 . 2 . . . . 65 PRO HD3 . 15816 1 786 . 1 1 86 86 PRO HG2 H 1 2.08 0.02 . 2 . . . . 65 PRO HG2 . 15816 1 787 . 1 1 86 86 PRO HG3 H 1 2.11 0.02 . 2 . . . . 65 PRO HG3 . 15816 1 788 . 1 1 86 86 PRO C C 13 178.0 0.2 . 1 . . . . 65 PRO C . 15816 1 789 . 1 1 86 86 PRO CA C 13 65.5 0.2 . 1 . . . . 65 PRO CA . 15816 1 790 . 1 1 86 86 PRO CB C 13 31.9 0.2 . 1 . . . . 65 PRO CB . 15816 1 791 . 1 1 86 86 PRO CD C 13 50.3 0.2 . 1 . . . . 65 PRO CD . 15816 1 792 . 1 1 86 86 PRO CG C 13 28.0 0.2 . 1 . . . . 65 PRO CG . 15816 1 793 . 1 1 87 87 ASP H H 1 8.27 0.02 . 1 . . . . 66 ASP H . 15816 1 794 . 1 1 87 87 ASP HA H 1 4.20 0.02 . 1 . . . . 66 ASP HA . 15816 1 795 . 1 1 87 87 ASP HB2 H 1 1.38 0.02 . 2 . . . . 66 ASP HB2 . 15816 1 796 . 1 1 87 87 ASP HB3 H 1 2.11 0.02 . 2 . . . . 66 ASP HB3 . 15816 1 797 . 1 1 87 87 ASP C C 13 177.2 0.2 . 1 . . . . 66 ASP C . 15816 1 798 . 1 1 87 87 ASP CA C 13 55.8 0.2 . 1 . . . . 66 ASP CA . 15816 1 799 . 1 1 87 87 ASP CB C 13 40.0 0.2 . 1 . . . . 66 ASP CB . 15816 1 800 . 1 1 87 87 ASP N N 15 113.4 0.2 . 1 . . . . 66 ASP N . 15816 1 801 . 1 1 88 88 TYR H H 1 7.87 0.02 . 1 . . . . 67 TYR H . 15816 1 802 . 1 1 88 88 TYR HA H 1 4.85 0.02 . 1 . . . . 67 TYR HA . 15816 1 803 . 1 1 88 88 TYR HB2 H 1 2.72 0.02 . 2 . . . . 67 TYR HB2 . 15816 1 804 . 1 1 88 88 TYR HB3 H 1 3.32 0.02 . 2 . . . . 67 TYR HB3 . 15816 1 805 . 1 1 88 88 TYR HD1 H 1 7.31 0.02 . 3 . . . . 67 TYR HD1 . 15816 1 806 . 1 1 88 88 TYR HE1 H 1 7.04 0.02 . 3 . . . . 67 TYR HE1 . 15816 1 807 . 1 1 88 88 TYR C C 13 175.8 0.2 . 1 . . . . 67 TYR C . 15816 1 808 . 1 1 88 88 TYR CA C 13 56.7 0.2 . 1 . . . . 67 TYR CA . 15816 1 809 . 1 1 88 88 TYR CB C 13 39.1 0.2 . 1 . . . . 67 TYR CB . 15816 1 810 . 1 1 88 88 TYR CD1 C 13 133.0 0.2 . 3 . . . . 67 TYR CD1 . 15816 1 811 . 1 1 88 88 TYR CE1 C 13 119.4 0.2 . 3 . . . . 67 TYR CE1 . 15816 1 812 . 1 1 88 88 TYR N N 15 114.4 0.2 . 1 . . . . 67 TYR N . 15816 1 813 . 1 1 89 89 VAL H H 1 7.21 0.02 . 1 . . . . 68 VAL H . 15816 1 814 . 1 1 89 89 VAL HA H 1 3.48 0.02 . 1 . . . . 68 VAL HA . 15816 1 815 . 1 1 89 89 VAL HB H 1 2.09 0.02 . 1 . . . . 68 VAL HB . 15816 1 816 . 1 1 89 89 VAL HG11 H 1 0.99 0.02 . 1 . . . . 68 VAL HG1 . 15816 1 817 . 1 1 89 89 VAL HG12 H 1 0.99 0.02 . 1 . . . . 68 VAL HG1 . 15816 1 818 . 1 1 89 89 VAL HG13 H 1 0.99 0.02 . 1 . . . . 68 VAL HG1 . 15816 1 819 . 1 1 89 89 VAL HG21 H 1 1.11 0.02 . 1 . . . . 68 VAL HG2 . 15816 1 820 . 1 1 89 89 VAL HG22 H 1 1.11 0.02 . 1 . . . . 68 VAL HG2 . 15816 1 821 . 1 1 89 89 VAL HG23 H 1 1.11 0.02 . 1 . . . . 68 VAL HG2 . 15816 1 822 . 1 1 89 89 VAL C C 13 177.1 0.2 . 1 . . . . 68 VAL C . 15816 1 823 . 1 1 89 89 VAL CA C 13 67.1 0.2 . 1 . . . . 68 VAL CA . 15816 1 824 . 1 1 89 89 VAL CB C 13 32.0 0.2 . 1 . . . . 68 VAL CB . 15816 1 825 . 1 1 89 89 VAL CG1 C 13 21.0 0.2 . 1 . . . . 68 VAL CG1 . 15816 1 826 . 1 1 89 89 VAL CG2 C 13 23.2 0.2 . 1 . . . . 68 VAL CG2 . 15816 1 827 . 1 1 89 89 VAL N N 15 120.1 0.2 . 1 . . . . 68 VAL N . 15816 1 828 . 1 1 90 90 SER H H 1 8.59 0.02 . 1 . . . . 69 SER H . 15816 1 829 . 1 1 90 90 SER HA H 1 4.27 0.02 . 1 . . . . 69 SER HA . 15816 1 830 . 1 1 90 90 SER HB2 H 1 3.91 0.02 . 2 . . . . 69 SER HB2 . 15816 1 831 . 1 1 90 90 SER HB3 H 1 3.95 0.02 . 2 . . . . 69 SER HB3 . 15816 1 832 . 1 1 90 90 SER C C 13 176.4 0.2 . 1 . . . . 69 SER C . 15816 1 833 . 1 1 90 90 SER CA C 13 61.1 0.2 . 1 . . . . 69 SER CA . 15816 1 834 . 1 1 90 90 SER CB C 13 62.3 0.2 . 1 . . . . 69 SER CB . 15816 1 835 . 1 1 90 90 SER N N 15 112.4 0.2 . 1 . . . . 69 SER N . 15816 1 836 . 1 1 91 91 LEU H H 1 7.33 0.02 . 1 . . . . 70 LEU H . 15816 1 837 . 1 1 91 91 LEU HA H 1 4.32 0.02 . 1 . . . . 70 LEU HA . 15816 1 838 . 1 1 91 91 LEU HB2 H 1 1.32 0.02 . 2 . . . . 70 LEU HB2 . 15816 1 839 . 1 1 91 91 LEU HB3 H 1 1.70 0.02 . 2 . . . . 70 LEU HB3 . 15816 1 840 . 1 1 91 91 LEU HD11 H 1 0.83 0.02 . 1 . . . . 70 LEU HD1 . 15816 1 841 . 1 1 91 91 LEU HD12 H 1 0.83 0.02 . 1 . . . . 70 LEU HD1 . 15816 1 842 . 1 1 91 91 LEU HD13 H 1 0.83 0.02 . 1 . . . . 70 LEU HD1 . 15816 1 843 . 1 1 91 91 LEU HD21 H 1 0.74 0.02 . 1 . . . . 70 LEU HD2 . 15816 1 844 . 1 1 91 91 LEU HD22 H 1 0.74 0.02 . 1 . . . . 70 LEU HD2 . 15816 1 845 . 1 1 91 91 LEU HD23 H 1 0.74 0.02 . 1 . . . . 70 LEU HD2 . 15816 1 846 . 1 1 91 91 LEU HG H 1 1.68 0.02 . 1 . . . . 70 LEU HG . 15816 1 847 . 1 1 91 91 LEU C C 13 177.3 0.2 . 1 . . . . 70 LEU C . 15816 1 848 . 1 1 91 91 LEU CA C 13 56.2 0.2 . 1 . . . . 70 LEU CA . 15816 1 849 . 1 1 91 91 LEU CB C 13 43.5 0.2 . 1 . . . . 70 LEU CB . 15816 1 850 . 1 1 91 91 LEU CD1 C 13 25.7 0.2 . 1 . . . . 70 LEU CD1 . 15816 1 851 . 1 1 91 91 LEU CD2 C 13 23.5 0.2 . 1 . . . . 70 LEU CD2 . 15816 1 852 . 1 1 91 91 LEU CG C 13 27.4 0.2 . 1 . . . . 70 LEU CG . 15816 1 853 . 1 1 91 91 LEU N N 15 119.5 0.2 . 1 . . . . 70 LEU N . 15816 1 854 . 1 1 92 92 LEU H H 1 7.43 0.02 . 1 . . . . 71 LEU H . 15816 1 855 . 1 1 92 92 LEU HA H 1 4.61 0.02 . 1 . . . . 71 LEU HA . 15816 1 856 . 1 1 92 92 LEU HB2 H 1 1.59 0.02 . 2 . . . . 71 LEU HB2 . 15816 1 857 . 1 1 92 92 LEU HB3 H 1 1.64 0.02 . 2 . . . . 71 LEU HB3 . 15816 1 858 . 1 1 92 92 LEU HD11 H 1 0.63 0.02 . 1 . . . . 71 LEU HD1 . 15816 1 859 . 1 1 92 92 LEU HD12 H 1 0.63 0.02 . 1 . . . . 71 LEU HD1 . 15816 1 860 . 1 1 92 92 LEU HD13 H 1 0.63 0.02 . 1 . . . . 71 LEU HD1 . 15816 1 861 . 1 1 92 92 LEU HD21 H 1 0.95 0.02 . 1 . . . . 71 LEU HD2 . 15816 1 862 . 1 1 92 92 LEU HD22 H 1 0.95 0.02 . 1 . . . . 71 LEU HD2 . 15816 1 863 . 1 1 92 92 LEU HD23 H 1 0.95 0.02 . 1 . . . . 71 LEU HD2 . 15816 1 864 . 1 1 92 92 LEU HG H 1 1.52 0.02 . 1 . . . . 71 LEU HG . 15816 1 865 . 1 1 92 92 LEU C C 13 177.3 0.2 . 1 . . . . 71 LEU C . 15816 1 866 . 1 1 92 92 LEU CA C 13 54.7 0.2 . 1 . . . . 71 LEU CA . 15816 1 867 . 1 1 92 92 LEU CB C 13 43.9 0.2 . 1 . . . . 71 LEU CB . 15816 1 868 . 1 1 92 92 LEU CD1 C 13 26.8 0.2 . 1 . . . . 71 LEU CD1 . 15816 1 869 . 1 1 92 92 LEU CD2 C 13 23.7 0.2 . 1 . . . . 71 LEU CD2 . 15816 1 870 . 1 1 92 92 LEU CG C 13 28.0 0.2 . 1 . . . . 71 LEU CG . 15816 1 871 . 1 1 92 92 LEU N N 15 117.2 0.2 . 1 . . . . 71 LEU N . 15816 1 872 . 1 1 93 93 ASP H H 1 7.85 0.02 . 1 . . . . 72 ASP H . 15816 1 873 . 1 1 93 93 ASP HA H 1 4.62 0.02 . 1 . . . . 72 ASP HA . 15816 1 874 . 1 1 93 93 ASP HB2 H 1 2.63 0.02 . 2 . . . . 72 ASP HB2 . 15816 1 875 . 1 1 93 93 ASP HB3 H 1 3.00 0.02 . 2 . . . . 72 ASP HB3 . 15816 1 876 . 1 1 93 93 ASP C C 13 176.7 0.2 . 1 . . . . 72 ASP C . 15816 1 877 . 1 1 93 93 ASP CA C 13 56.6 0.2 . 1 . . . . 72 ASP CA . 15816 1 878 . 1 1 93 93 ASP CB C 13 41.1 0.2 . 1 . . . . 72 ASP CB . 15816 1 879 . 1 1 93 93 ASP N N 15 120.8 0.2 . 1 . . . . 72 ASP N . 15816 1 880 . 1 1 94 94 GLN H H 1 9.27 0.02 . 1 . . . . 73 GLN H . 15816 1 881 . 1 1 94 94 GLN HA H 1 3.86 0.02 . 1 . . . . 73 GLN HA . 15816 1 882 . 1 1 94 94 GLN HB2 H 1 2.28 0.02 . 2 . . . . 73 GLN HB2 . 15816 1 883 . 1 1 94 94 GLN HB3 H 1 2.37 0.02 . 2 . . . . 73 GLN HB3 . 15816 1 884 . 1 1 94 94 GLN HE21 H 1 6.78 0.02 . 2 . . . . 73 GLN HE21 . 15816 1 885 . 1 1 94 94 GLN HE22 H 1 7.70 0.02 . 2 . . . . 73 GLN HE22 . 15816 1 886 . 1 1 94 94 GLN HG2 H 1 2.25 0.02 . 2 . . . . 73 GLN HG2 . 15816 1 887 . 1 1 94 94 GLN HG3 H 1 2.34 0.02 . 2 . . . . 73 GLN HG3 . 15816 1 888 . 1 1 94 94 GLN C C 13 174.9 0.2 . 1 . . . . 73 GLN C . 15816 1 889 . 1 1 94 94 GLN CA C 13 57.2 0.2 . 1 . . . . 73 GLN CA . 15816 1 890 . 1 1 94 94 GLN CB C 13 26.5 0.2 . 1 . . . . 73 GLN CB . 15816 1 891 . 1 1 94 94 GLN CD C 13 180.7 0.2 . 1 . . . . 73 GLN CD . 15816 1 892 . 1 1 94 94 GLN CG C 13 34.3 0.2 . 1 . . . . 73 GLN CG . 15816 1 893 . 1 1 94 94 GLN N N 15 118.5 0.2 . 1 . . . . 73 GLN N . 15816 1 894 . 1 1 94 94 GLN NE2 N 15 113.2 0.2 . 1 . . . . 73 GLN NE2 . 15816 1 895 . 1 1 95 95 THR H H 1 7.72 0.02 . 1 . . . . 74 THR H . 15816 1 896 . 1 1 95 95 THR HA H 1 4.92 0.02 . 1 . . . . 74 THR HA . 15816 1 897 . 1 1 95 95 THR HB H 1 4.44 0.02 . 1 . . . . 74 THR HB . 15816 1 898 . 1 1 95 95 THR HG21 H 1 1.24 0.02 . 1 . . . . 74 THR HG2 . 15816 1 899 . 1 1 95 95 THR HG22 H 1 1.24 0.02 . 1 . . . . 74 THR HG2 . 15816 1 900 . 1 1 95 95 THR HG23 H 1 1.24 0.02 . 1 . . . . 74 THR HG2 . 15816 1 901 . 1 1 95 95 THR C C 13 172.8 0.2 . 1 . . . . 74 THR C . 15816 1 902 . 1 1 95 95 THR CA C 13 63.2 0.2 . 1 . . . . 74 THR CA . 15816 1 903 . 1 1 95 95 THR CB C 13 69.7 0.2 . 1 . . . . 74 THR CB . 15816 1 904 . 1 1 95 95 THR CG2 C 13 22.4 0.2 . 1 . . . . 74 THR CG2 . 15816 1 905 . 1 1 95 95 THR N N 15 115.6 0.2 . 1 . . . . 74 THR N . 15816 1 906 . 1 1 96 96 THR H H 1 8.44 0.02 . 1 . . . . 75 THR H . 15816 1 907 . 1 1 96 96 THR HA H 1 4.80 0.02 . 1 . . . . 75 THR HA . 15816 1 908 . 1 1 96 96 THR HB H 1 3.82 0.02 . 1 . . . . 75 THR HB . 15816 1 909 . 1 1 96 96 THR HG21 H 1 0.85 0.02 . 1 . . . . 75 THR HG2 . 15816 1 910 . 1 1 96 96 THR HG22 H 1 0.85 0.02 . 1 . . . . 75 THR HG2 . 15816 1 911 . 1 1 96 96 THR HG23 H 1 0.85 0.02 . 1 . . . . 75 THR HG2 . 15816 1 912 . 1 1 96 96 THR C C 13 172.0 0.2 . 1 . . . . 75 THR C . 15816 1 913 . 1 1 96 96 THR CA C 13 60.8 0.2 . 1 . . . . 75 THR CA . 15816 1 914 . 1 1 96 96 THR CB C 13 71.2 0.2 . 1 . . . . 75 THR CB . 15816 1 915 . 1 1 96 96 THR CG2 C 13 21.0 0.2 . 1 . . . . 75 THR CG2 . 15816 1 916 . 1 1 96 96 THR N N 15 121.1 0.2 . 1 . . . . 75 THR N . 15816 1 917 . 1 1 97 97 LEU H H 1 8.68 0.02 . 1 . . . . 76 LEU H . 15816 1 918 . 1 1 97 97 LEU HA H 1 4.70 0.02 . 1 . . . . 76 LEU HA . 15816 1 919 . 1 1 97 97 LEU HB2 H 1 0.94 0.02 . 2 . . . . 76 LEU HB2 . 15816 1 920 . 1 1 97 97 LEU HB3 H 1 1.81 0.02 . 2 . . . . 76 LEU HB3 . 15816 1 921 . 1 1 97 97 LEU HD11 H 1 -0.04 0.02 . 1 . . . . 76 LEU HD1 . 15816 1 922 . 1 1 97 97 LEU HD12 H 1 -0.04 0.02 . 1 . . . . 76 LEU HD1 . 15816 1 923 . 1 1 97 97 LEU HD13 H 1 -0.04 0.02 . 1 . . . . 76 LEU HD1 . 15816 1 924 . 1 1 97 97 LEU HD21 H 1 0.50 0.02 . 1 . . . . 76 LEU HD2 . 15816 1 925 . 1 1 97 97 LEU HD22 H 1 0.50 0.02 . 1 . . . . 76 LEU HD2 . 15816 1 926 . 1 1 97 97 LEU HD23 H 1 0.50 0.02 . 1 . . . . 76 LEU HD2 . 15816 1 927 . 1 1 97 97 LEU HG H 1 1.18 0.02 . 1 . . . . 76 LEU HG . 15816 1 928 . 1 1 97 97 LEU C C 13 172.3 0.2 . 1 . . . . 76 LEU C . 15816 1 929 . 1 1 97 97 LEU CA C 13 53.4 0.2 . 1 . . . . 76 LEU CA . 15816 1 930 . 1 1 97 97 LEU CB C 13 44.0 0.2 . 1 . . . . 76 LEU CB . 15816 1 931 . 1 1 97 97 LEU CD1 C 13 22.1 0.2 . 1 . . . . 76 LEU CD1 . 15816 1 932 . 1 1 97 97 LEU CD2 C 13 25.1 0.2 . 1 . . . . 76 LEU CD2 . 15816 1 933 . 1 1 97 97 LEU CG C 13 26.8 0.2 . 1 . . . . 76 LEU CG . 15816 1 934 . 1 1 97 97 LEU N N 15 130.0 0.2 . 1 . . . . 76 LEU N . 15816 1 935 . 1 1 98 98 ASP H H 1 9.01 0.02 . 1 . . . . 77 ASP H . 15816 1 936 . 1 1 98 98 ASP HA H 1 5.48 0.02 . 1 . . . . 77 ASP HA . 15816 1 937 . 1 1 98 98 ASP HB2 H 1 2.21 0.02 . 2 . . . . 77 ASP HB2 . 15816 1 938 . 1 1 98 98 ASP HB3 H 1 2.58 0.02 . 2 . . . . 77 ASP HB3 . 15816 1 939 . 1 1 98 98 ASP C C 13 174.2 0.2 . 1 . . . . 77 ASP C . 15816 1 940 . 1 1 98 98 ASP CA C 13 50.1 0.2 . 1 . . . . 77 ASP CA . 15816 1 941 . 1 1 98 98 ASP CB C 13 46.1 0.2 . 1 . . . . 77 ASP CB . 15816 1 942 . 1 1 98 98 ASP N N 15 126.7 0.2 . 1 . . . . 77 ASP N . 15816 1 943 . 1 1 99 99 TYR H H 1 9.06 0.02 . 1 . . . . 78 TYR H . 15816 1 944 . 1 1 99 99 TYR HA H 1 5.06 0.02 . 1 . . . . 78 TYR HA . 15816 1 945 . 1 1 99 99 TYR HB2 H 1 2.19 0.02 . 2 . . . . 78 TYR HB2 . 15816 1 946 . 1 1 99 99 TYR HB3 H 1 2.32 0.02 . 2 . . . . 78 TYR HB3 . 15816 1 947 . 1 1 99 99 TYR HD1 H 1 5.88 0.02 . 3 . . . . 78 TYR HD1 . 15816 1 948 . 1 1 99 99 TYR HE1 H 1 5.97 0.02 . 3 . . . . 78 TYR HE1 . 15816 1 949 . 1 1 99 99 TYR C C 13 173.9 0.2 . 1 . . . . 78 TYR C . 15816 1 950 . 1 1 99 99 TYR CA C 13 57.5 0.2 . 1 . . . . 78 TYR CA . 15816 1 951 . 1 1 99 99 TYR CB C 13 41.0 0.2 . 1 . . . . 78 TYR CB . 15816 1 952 . 1 1 99 99 TYR CD1 C 13 132.8 0.2 . 3 . . . . 78 TYR CD1 . 15816 1 953 . 1 1 99 99 TYR CE1 C 13 117.3 0.2 . 3 . . . . 78 TYR CE1 . 15816 1 954 . 1 1 99 99 TYR N N 15 125.9 0.2 . 1 . . . . 78 TYR N . 15816 1 955 . 1 1 100 100 VAL H H 1 8.24 0.02 . 1 . . . . 79 VAL H . 15816 1 956 . 1 1 100 100 VAL HA H 1 4.42 0.02 . 1 . . . . 79 VAL HA . 15816 1 957 . 1 1 100 100 VAL HB H 1 1.86 0.02 . 1 . . . . 79 VAL HB . 15816 1 958 . 1 1 100 100 VAL HG11 H 1 0.70 0.02 . 1 . . . . 79 VAL HG1 . 15816 1 959 . 1 1 100 100 VAL HG12 H 1 0.70 0.02 . 1 . . . . 79 VAL HG1 . 15816 1 960 . 1 1 100 100 VAL HG13 H 1 0.70 0.02 . 1 . . . . 79 VAL HG1 . 15816 1 961 . 1 1 100 100 VAL HG21 H 1 0.64 0.02 . 1 . . . . 79 VAL HG2 . 15816 1 962 . 1 1 100 100 VAL HG22 H 1 0.64 0.02 . 1 . . . . 79 VAL HG2 . 15816 1 963 . 1 1 100 100 VAL HG23 H 1 0.64 0.02 . 1 . . . . 79 VAL HG2 . 15816 1 964 . 1 1 100 100 VAL C C 13 173.4 0.2 . 1 . . . . 79 VAL C . 15816 1 965 . 1 1 100 100 VAL CA C 13 59.3 0.2 . 1 . . . . 79 VAL CA . 15816 1 966 . 1 1 100 100 VAL CB C 13 36.8 0.2 . 1 . . . . 79 VAL CB . 15816 1 967 . 1 1 100 100 VAL CG1 C 13 21.6 0.2 . 1 . . . . 79 VAL CG1 . 15816 1 968 . 1 1 100 100 VAL CG2 C 13 19.4 0.2 . 1 . . . . 79 VAL CG2 . 15816 1 969 . 1 1 100 100 VAL N N 15 119.7 0.2 . 1 . . . . 79 VAL N . 15816 1 970 . 1 1 101 101 GLU H H 1 8.25 0.02 . 1 . . . . 80 GLU H . 15816 1 971 . 1 1 101 101 GLU HA H 1 3.55 0.02 . 1 . . . . 80 GLU HA . 15816 1 972 . 1 1 101 101 GLU HB2 H 1 0.86 0.02 . 2 . . . . 80 GLU HB2 . 15816 1 973 . 1 1 101 101 GLU HB3 H 1 1.61 0.02 . 2 . . . . 80 GLU HB3 . 15816 1 974 . 1 1 101 101 GLU HG2 H 1 0.84 0.02 . 2 . . . . 80 GLU HG2 . 15816 1 975 . 1 1 101 101 GLU HG3 H 1 1.58 0.02 . 2 . . . . 80 GLU HG3 . 15816 1 976 . 1 1 101 101 GLU C C 13 175.8 0.2 . 1 . . . . 80 GLU C . 15816 1 977 . 1 1 101 101 GLU CA C 13 54.8 0.2 . 1 . . . . 80 GLU CA . 15816 1 978 . 1 1 101 101 GLU CB C 13 29.2 0.2 . 1 . . . . 80 GLU CB . 15816 1 979 . 1 1 101 101 GLU CG C 13 36.2 0.2 . 1 . . . . 80 GLU CG . 15816 1 980 . 1 1 101 101 GLU N N 15 125.5 0.2 . 1 . . . . 80 GLU N . 15816 1 981 . 1 1 102 102 LEU H H 1 8.06 0.02 . 1 . . . . 81 LEU H . 15816 1 982 . 1 1 102 102 LEU HA H 1 4.12 0.02 . 1 . . . . 81 LEU HA . 15816 1 983 . 1 1 102 102 LEU HB2 H 1 1.39 0.02 . 2 . . . . 81 LEU HB2 . 15816 1 984 . 1 1 102 102 LEU HB3 H 1 1.46 0.02 . 2 . . . . 81 LEU HB3 . 15816 1 985 . 1 1 102 102 LEU HD11 H 1 0.57 0.02 . 1 . . . . 81 LEU HD1 . 15816 1 986 . 1 1 102 102 LEU HD12 H 1 0.57 0.02 . 1 . . . . 81 LEU HD1 . 15816 1 987 . 1 1 102 102 LEU HD13 H 1 0.57 0.02 . 1 . . . . 81 LEU HD1 . 15816 1 988 . 1 1 102 102 LEU HD21 H 1 0.61 0.02 . 1 . . . . 81 LEU HD2 . 15816 1 989 . 1 1 102 102 LEU HD22 H 1 0.61 0.02 . 1 . . . . 81 LEU HD2 . 15816 1 990 . 1 1 102 102 LEU HD23 H 1 0.61 0.02 . 1 . . . . 81 LEU HD2 . 15816 1 991 . 1 1 102 102 LEU HG H 1 1.43 0.02 . 1 . . . . 81 LEU HG . 15816 1 992 . 1 1 102 102 LEU C C 13 176.9 0.2 . 1 . . . . 81 LEU C . 15816 1 993 . 1 1 102 102 LEU CA C 13 56.4 0.2 . 1 . . . . 81 LEU CA . 15816 1 994 . 1 1 102 102 LEU CB C 13 42.8 0.2 . 1 . . . . 81 LEU CB . 15816 1 995 . 1 1 102 102 LEU CD1 C 13 24.6 0.2 . 1 . . . . 81 LEU CD1 . 15816 1 996 . 1 1 102 102 LEU CD2 C 13 23.5 0.2 . 1 . . . . 81 LEU CD2 . 15816 1 997 . 1 1 102 102 LEU N N 15 129.9 0.2 . 1 . . . . 81 LEU N . 15816 1 998 . 1 1 103 103 GLU H H 1 7.77 0.02 . 1 . . . . 82 GLU H . 15816 1 999 . 1 1 103 103 GLU HA H 1 4.50 0.02 . 1 . . . . 82 GLU HA . 15816 1 1000 . 1 1 103 103 GLU HB2 H 1 1.57 0.02 . 2 . . . . 82 GLU HB2 . 15816 1 1001 . 1 1 103 103 GLU HB3 H 1 2.03 0.02 . 2 . . . . 82 GLU HB3 . 15816 1 1002 . 1 1 103 103 GLU HG2 H 1 2.08 0.02 . 2 . . . . 82 GLU HG2 . 15816 1 1003 . 1 1 103 103 GLU HG3 H 1 2.15 0.02 . 2 . . . . 82 GLU HG3 . 15816 1 1004 . 1 1 103 103 GLU CA C 13 53.8 0.2 . 1 . . . . 82 GLU CA . 15816 1 1005 . 1 1 103 103 GLU CB C 13 30.3 0.2 . 1 . . . . 82 GLU CB . 15816 1 1006 . 1 1 103 103 GLU CG C 13 36.1 0.2 . 1 . . . . 82 GLU CG . 15816 1 1007 . 1 1 103 103 GLU N N 15 117.3 0.2 . 1 . . . . 82 GLU N . 15816 1 1008 . 1 1 104 104 PRO HA H 1 4.08 0.02 . 1 . . . . 83 PRO HA . 15816 1 1009 . 1 1 104 104 PRO HB2 H 1 1.82 0.02 . 2 . . . . 83 PRO HB2 . 15816 1 1010 . 1 1 104 104 PRO HB3 H 1 2.19 0.02 . 2 . . . . 83 PRO HB3 . 15816 1 1011 . 1 1 104 104 PRO HD2 H 1 3.51 0.02 . 2 . . . . 83 PRO HD2 . 15816 1 1012 . 1 1 104 104 PRO HD3 H 1 3.69 0.02 . 2 . . . . 83 PRO HD3 . 15816 1 1013 . 1 1 104 104 PRO C C 13 178.6 0.2 . 1 . . . . 83 PRO C . 15816 1 1014 . 1 1 104 104 PRO CA C 13 64.9 0.2 . 1 . . . . 83 PRO CA . 15816 1 1015 . 1 1 104 104 PRO CB C 13 30.9 0.2 . 1 . . . . 83 PRO CB . 15816 1 1016 . 1 1 104 104 PRO CD C 13 49.7 0.2 . 1 . . . . 83 PRO CD . 15816 1 1017 . 1 1 104 104 PRO CG C 13 27.7 0.2 . 1 . . . . 83 PRO CG . 15816 1 1018 . 1 1 105 105 GLY H H 1 10.35 0.02 . 1 . . . . 84 GLY H . 15816 1 1019 . 1 1 105 105 GLY HA2 H 1 3.72 0.02 . 2 . . . . 84 GLY HA2 . 15816 1 1020 . 1 1 105 105 GLY HA3 H 1 4.16 0.02 . 2 . . . . 84 GLY HA3 . 15816 1 1021 . 1 1 105 105 GLY C C 13 178.3 0.2 . 1 . . . . 84 GLY C . 15816 1 1022 . 1 1 105 105 GLY CA C 13 45.6 0.2 . 1 . . . . 84 GLY CA . 15816 1 1023 . 1 1 105 105 GLY N N 15 115.6 0.2 . 1 . . . . 84 GLY N . 15816 1 1024 . 1 1 106 106 GLN H H 1 8.56 0.02 . 1 . . . . 85 GLN H . 15816 1 1025 . 1 1 106 106 GLN HA H 1 4.62 0.02 . 1 . . . . 85 GLN HA . 15816 1 1026 . 1 1 106 106 GLN HB2 H 1 1.87 0.02 . 2 . . . . 85 GLN HB2 . 15816 1 1027 . 1 1 106 106 GLN HB3 H 1 1.99 0.02 . 2 . . . . 85 GLN HB3 . 15816 1 1028 . 1 1 106 106 GLN HE21 H 1 6.81 0.02 . 2 . . . . 85 GLN HE21 . 15816 1 1029 . 1 1 106 106 GLN HE22 H 1 7.53 0.02 . 2 . . . . 85 GLN HE22 . 15816 1 1030 . 1 1 106 106 GLN HG2 H 1 2.09 0.02 . 2 . . . . 85 GLN HG2 . 15816 1 1031 . 1 1 106 106 GLN HG3 H 1 2.22 0.02 . 2 . . . . 85 GLN HG3 . 15816 1 1032 . 1 1 106 106 GLN C C 13 173.0 0.2 . 1 . . . . 85 GLN C . 15816 1 1033 . 1 1 106 106 GLN CA C 13 54.1 0.2 . 1 . . . . 85 GLN CA . 15816 1 1034 . 1 1 106 106 GLN CB C 13 29.6 0.2 . 1 . . . . 85 GLN CB . 15816 1 1035 . 1 1 106 106 GLN CD C 13 180.3 0.2 . 1 . . . . 85 GLN CD . 15816 1 1036 . 1 1 106 106 GLN CG C 13 32.8 0.2 . 1 . . . . 85 GLN CG . 15816 1 1037 . 1 1 106 106 GLN N N 15 122.2 0.2 . 1 . . . . 85 GLN N . 15816 1 1038 . 1 1 106 106 GLN NE2 N 15 112.8 0.2 . 1 . . . . 85 GLN NE2 . 15816 1 1039 . 1 1 107 107 PHE H H 1 8.42 0.02 . 1 . . . . 86 PHE H . 15816 1 1040 . 1 1 107 107 PHE HA H 1 4.90 0.02 . 1 . . . . 86 PHE HA . 15816 1 1041 . 1 1 107 107 PHE HB2 H 1 1.57 0.02 . 2 . . . . 86 PHE HB2 . 15816 1 1042 . 1 1 107 107 PHE HB3 H 1 2.56 0.02 . 2 . . . . 86 PHE HB3 . 15816 1 1043 . 1 1 107 107 PHE HD1 H 1 6.58 0.02 . 3 . . . . 86 PHE HD1 . 15816 1 1044 . 1 1 107 107 PHE HE1 H 1 7.15 0.02 . 3 . . . . 86 PHE HE1 . 15816 1 1045 . 1 1 107 107 PHE C C 13 175.9 0.2 . 1 . . . . 86 PHE C . 15816 1 1046 . 1 1 107 107 PHE CA C 13 56.3 0.2 . 1 . . . . 86 PHE CA . 15816 1 1047 . 1 1 107 107 PHE CB C 13 40.3 0.2 . 1 . . . . 86 PHE CB . 15816 1 1048 . 1 1 107 107 PHE CD1 C 13 131.7 0.2 . 3 . . . . 86 PHE CD1 . 15816 1 1049 . 1 1 107 107 PHE CE1 C 13 131.0 0.2 . 3 . . . . 86 PHE CE1 . 15816 1 1050 . 1 1 107 107 PHE N N 15 124.1 0.2 . 1 . . . . 86 PHE N . 15816 1 1051 . 1 1 108 108 HIS H H 1 8.61 0.02 . 1 . . . . 87 HIS H . 15816 1 1052 . 1 1 108 108 HIS HA H 1 4.77 0.02 . 1 . . . . 87 HIS HA . 15816 1 1053 . 1 1 108 108 HIS HB2 H 1 2.65 0.02 . 2 . . . . 87 HIS HB2 . 15816 1 1054 . 1 1 108 108 HIS HB3 H 1 3.14 0.02 . 2 . . . . 87 HIS HB3 . 15816 1 1055 . 1 1 108 108 HIS HD2 H 1 6.71 0.02 . 1 . . . . 87 HIS HD2 . 15816 1 1056 . 1 1 108 108 HIS C C 13 174.8 0.2 . 1 . . . . 87 HIS C . 15816 1 1057 . 1 1 108 108 HIS CA C 13 54.8 0.2 . 1 . . . . 87 HIS CA . 15816 1 1058 . 1 1 108 108 HIS CB C 13 35.3 0.2 . 1 . . . . 87 HIS CB . 15816 1 1059 . 1 1 108 108 HIS CD2 C 13 119.7 0.2 . 1 . . . . 87 HIS CD2 . 15816 1 1060 . 1 1 108 108 HIS N N 15 118.5 0.2 . 1 . . . . 87 HIS N . 15816 1 1061 . 1 1 109 109 PHE H H 1 8.82 0.02 . 1 . . . . 88 PHE H . 15816 1 1062 . 1 1 109 109 PHE HA H 1 5.47 0.02 . 1 . . . . 88 PHE HA . 15816 1 1063 . 1 1 109 109 PHE HB2 H 1 2.89 0.02 . 2 . . . . 88 PHE HB2 . 15816 1 1064 . 1 1 109 109 PHE HB3 H 1 2.95 0.02 . 2 . . . . 88 PHE HB3 . 15816 1 1065 . 1 1 109 109 PHE HD1 H 1 7.38 0.02 . 3 . . . . 88 PHE HD1 . 15816 1 1066 . 1 1 109 109 PHE HE1 H 1 7.21 0.02 . 3 . . . . 88 PHE HE1 . 15816 1 1067 . 1 1 109 109 PHE HZ H 1 6.72 0.02 . 1 . . . . 88 PHE HZ . 15816 1 1068 . 1 1 109 109 PHE C C 13 176.1 0.2 . 1 . . . . 88 PHE C . 15816 1 1069 . 1 1 109 109 PHE CA C 13 59.1 0.2 . 1 . . . . 88 PHE CA . 15816 1 1070 . 1 1 109 109 PHE CB C 13 39.6 0.2 . 1 . . . . 88 PHE CB . 15816 1 1071 . 1 1 109 109 PHE CD1 C 13 132.3 0.2 . 3 . . . . 88 PHE CD1 . 15816 1 1072 . 1 1 109 109 PHE CE1 C 13 130.7 0.2 . 3 . . . . 88 PHE CE1 . 15816 1 1073 . 1 1 109 109 PHE CZ C 13 129.8 0.2 . 1 . . . . 88 PHE CZ . 15816 1 1074 . 1 1 109 109 PHE N N 15 120.3 0.2 . 1 . . . . 88 PHE N . 15816 1 1075 . 1 1 110 110 ILE H H 1 8.61 0.02 . 1 . . . . 89 ILE H . 15816 1 1076 . 1 1 110 110 ILE HA H 1 4.64 0.02 . 1 . . . . 89 ILE HA . 15816 1 1077 . 1 1 110 110 ILE HB H 1 1.59 0.02 . 1 . . . . 89 ILE HB . 15816 1 1078 . 1 1 110 110 ILE HD11 H 1 0.77 0.02 . 1 . . . . 89 ILE HD1 . 15816 1 1079 . 1 1 110 110 ILE HD12 H 1 0.77 0.02 . 1 . . . . 89 ILE HD1 . 15816 1 1080 . 1 1 110 110 ILE HD13 H 1 0.77 0.02 . 1 . . . . 89 ILE HD1 . 15816 1 1081 . 1 1 110 110 ILE HG12 H 1 0.90 0.02 . 2 . . . . 89 ILE HG12 . 15816 1 1082 . 1 1 110 110 ILE HG13 H 1 1.41 0.02 . 2 . . . . 89 ILE HG13 . 15816 1 1083 . 1 1 110 110 ILE HG21 H 1 0.76 0.02 . 1 . . . . 89 ILE HG2 . 15816 1 1084 . 1 1 110 110 ILE HG22 H 1 0.76 0.02 . 1 . . . . 89 ILE HG2 . 15816 1 1085 . 1 1 110 110 ILE HG23 H 1 0.76 0.02 . 1 . . . . 89 ILE HG2 . 15816 1 1086 . 1 1 110 110 ILE C C 13 172.5 0.2 . 1 . . . . 89 ILE C . 15816 1 1087 . 1 1 110 110 ILE CA C 13 59.3 0.2 . 1 . . . . 89 ILE CA . 15816 1 1088 . 1 1 110 110 ILE CB C 13 41.9 0.2 . 1 . . . . 89 ILE CB . 15816 1 1089 . 1 1 110 110 ILE CD1 C 13 13.9 0.2 . 1 . . . . 89 ILE CD1 . 15816 1 1090 . 1 1 110 110 ILE CG1 C 13 26.7 0.2 . 1 . . . . 89 ILE CG1 . 15816 1 1091 . 1 1 110 110 ILE CG2 C 13 17.4 0.2 . 1 . . . . 89 ILE CG2 . 15816 1 1092 . 1 1 110 110 ILE N N 15 119.2 0.2 . 1 . . . . 89 ILE N . 15816 1 1093 . 1 1 111 111 PHE H H 1 8.60 0.02 . 1 . . . . 90 PHE H . 15816 1 1094 . 1 1 111 111 PHE HA H 1 4.65 0.02 . 1 . . . . 90 PHE HA . 15816 1 1095 . 1 1 111 111 PHE HB2 H 1 1.85 0.02 . 2 . . . . 90 PHE HB2 . 15816 1 1096 . 1 1 111 111 PHE HB3 H 1 2.43 0.02 . 2 . . . . 90 PHE HB3 . 15816 1 1097 . 1 1 111 111 PHE HD1 H 1 6.84 0.02 . 3 . . . . 90 PHE HD1 . 15816 1 1098 . 1 1 111 111 PHE HE1 H 1 6.99 0.02 . 3 . . . . 90 PHE HE1 . 15816 1 1099 . 1 1 111 111 PHE C C 13 175.5 0.2 . 1 . . . . 90 PHE C . 15816 1 1100 . 1 1 111 111 PHE CA C 13 56.9 0.2 . 1 . . . . 90 PHE CA . 15816 1 1101 . 1 1 111 111 PHE CB C 13 39.6 0.2 . 1 . . . . 90 PHE CB . 15816 1 1102 . 1 1 111 111 PHE CD1 C 13 132.1 0.2 . 3 . . . . 90 PHE CD1 . 15816 1 1103 . 1 1 111 111 PHE CE1 C 13 130.3 0.2 . 3 . . . . 90 PHE CE1 . 15816 1 1104 . 1 1 111 111 PHE N N 15 124.3 0.2 . 1 . . . . 90 PHE N . 15816 1 1105 . 1 1 112 112 LEU H H 1 9.34 0.02 . 1 . . . . 91 LEU H . 15816 1 1106 . 1 1 112 112 LEU HA H 1 4.60 0.02 . 1 . . . . 91 LEU HA . 15816 1 1107 . 1 1 112 112 LEU HB2 H 1 1.42 0.02 . 2 . . . . 91 LEU HB2 . 15816 1 1108 . 1 1 112 112 LEU HB3 H 1 1.85 0.02 . 2 . . . . 91 LEU HB3 . 15816 1 1109 . 1 1 112 112 LEU HD11 H 1 0.83 0.02 . 1 . . . . 91 LEU HD1 . 15816 1 1110 . 1 1 112 112 LEU HD12 H 1 0.83 0.02 . 1 . . . . 91 LEU HD1 . 15816 1 1111 . 1 1 112 112 LEU HD13 H 1 0.83 0.02 . 1 . . . . 91 LEU HD1 . 15816 1 1112 . 1 1 112 112 LEU HD21 H 1 0.82 0.02 . 1 . . . . 91 LEU HD2 . 15816 1 1113 . 1 1 112 112 LEU HD22 H 1 0.82 0.02 . 1 . . . . 91 LEU HD2 . 15816 1 1114 . 1 1 112 112 LEU HD23 H 1 0.82 0.02 . 1 . . . . 91 LEU HD2 . 15816 1 1115 . 1 1 112 112 LEU HG H 1 1.53 0.02 . 1 . . . . 91 LEU HG . 15816 1 1116 . 1 1 112 112 LEU C C 13 175.2 0.2 . 1 . . . . 91 LEU C . 15816 1 1117 . 1 1 112 112 LEU CA C 13 53.8 0.2 . 1 . . . . 91 LEU CA . 15816 1 1118 . 1 1 112 112 LEU CB C 13 42.4 0.2 . 1 . . . . 91 LEU CB . 15816 1 1119 . 1 1 112 112 LEU CD1 C 13 25.5 0.2 . 1 . . . . 91 LEU CD1 . 15816 1 1120 . 1 1 112 112 LEU CD2 C 13 24.0 0.2 . 1 . . . . 91 LEU CD2 . 15816 1 1121 . 1 1 112 112 LEU CG C 13 26.7 0.2 . 1 . . . . 91 LEU CG . 15816 1 1122 . 1 1 112 112 LEU N N 15 125.3 0.2 . 1 . . . . 91 LEU N . 15816 1 1123 . 1 1 113 113 ASN H H 1 8.58 0.02 . 1 . . . . 92 ASN H . 15816 1 1124 . 1 1 113 113 ASN HA H 1 5.23 0.02 . 1 . . . . 92 ASN HA . 15816 1 1125 . 1 1 113 113 ASN HB2 H 1 2.72 0.02 . 2 . . . . 92 ASN HB2 . 15816 1 1126 . 1 1 113 113 ASN HB3 H 1 3.03 0.02 . 2 . . . . 92 ASN HB3 . 15816 1 1127 . 1 1 113 113 ASN HD21 H 1 6.84 0.02 . 2 . . . . 92 ASN HD21 . 15816 1 1128 . 1 1 113 113 ASN HD22 H 1 7.71 0.02 . 2 . . . . 92 ASN HD22 . 15816 1 1129 . 1 1 113 113 ASN CA C 13 50.4 0.2 . 1 . . . . 92 ASN CA . 15816 1 1130 . 1 1 113 113 ASN CB C 13 41.8 0.2 . 1 . . . . 92 ASN CB . 15816 1 1131 . 1 1 113 113 ASN CG C 13 175.8 0.2 . 1 . . . . 92 ASN CG . 15816 1 1132 . 1 1 113 113 ASN N N 15 123.0 0.2 . 1 . . . . 92 ASN N . 15816 1 1133 . 1 1 113 113 ASN ND2 N 15 113.4 0.2 . 1 . . . . 92 ASN ND2 . 15816 1 1134 . 1 1 114 114 PRO HA H 1 4.11 0.02 . 1 . . . . 93 PRO HA . 15816 1 1135 . 1 1 114 114 PRO HB2 H 1 1.90 0.02 . 2 . . . . 93 PRO HB2 . 15816 1 1136 . 1 1 114 114 PRO HB3 H 1 2.18 0.02 . 2 . . . . 93 PRO HB3 . 15816 1 1137 . 1 1 114 114 PRO HD2 H 1 3.70 0.02 . 2 . . . . 93 PRO HD2 . 15816 1 1138 . 1 1 114 114 PRO HD3 H 1 3.74 0.02 . 2 . . . . 93 PRO HD3 . 15816 1 1139 . 1 1 114 114 PRO HG2 H 1 1.89 0.02 . 2 . . . . 93 PRO HG2 . 15816 1 1140 . 1 1 114 114 PRO HG3 H 1 1.91 0.02 . 2 . . . . 93 PRO HG3 . 15816 1 1141 . 1 1 114 114 PRO C C 13 176.9 0.2 . 1 . . . . 93 PRO C . 15816 1 1142 . 1 1 114 114 PRO CA C 13 63.9 0.2 . 1 . . . . 93 PRO CA . 15816 1 1143 . 1 1 114 114 PRO CB C 13 32.2 0.2 . 1 . . . . 93 PRO CB . 15816 1 1144 . 1 1 114 114 PRO CD C 13 51.4 0.2 . 1 . . . . 93 PRO CD . 15816 1 1145 . 1 1 114 114 PRO CG C 13 27.0 0.2 . 1 . . . . 93 PRO CG . 15816 1 1146 . 1 1 115 115 ARG H H 1 8.27 0.02 . 1 . . . . 94 ARG H . 15816 1 1147 . 1 1 115 115 ARG HA H 1 4.25 0.02 . 1 . . . . 94 ARG HA . 15816 1 1148 . 1 1 115 115 ARG HB2 H 1 1.75 0.02 . 2 . . . . 94 ARG HB2 . 15816 1 1149 . 1 1 115 115 ARG HB3 H 1 1.86 0.02 . 2 . . . . 94 ARG HB3 . 15816 1 1150 . 1 1 115 115 ARG HD2 H 1 3.17 0.02 . 2 . . . . 94 ARG HD2 . 15816 1 1151 . 1 1 115 115 ARG HD3 H 1 3.20 0.02 . 2 . . . . 94 ARG HD3 . 15816 1 1152 . 1 1 115 115 ARG HG2 H 1 1.57 0.02 . 2 . . . . 94 ARG HG2 . 15816 1 1153 . 1 1 115 115 ARG HG3 H 1 1.59 0.02 . 2 . . . . 94 ARG HG3 . 15816 1 1154 . 1 1 115 115 ARG C C 13 176.2 0.2 . 1 . . . . 94 ARG C . 15816 1 1155 . 1 1 115 115 ARG CA C 13 56.5 0.2 . 1 . . . . 94 ARG CA . 15816 1 1156 . 1 1 115 115 ARG CB C 13 30.1 0.2 . 1 . . . . 94 ARG CB . 15816 1 1157 . 1 1 115 115 ARG CD C 13 43.3 0.2 . 1 . . . . 94 ARG CD . 15816 1 1158 . 1 1 115 115 ARG CG C 13 27.2 0.2 . 1 . . . . 94 ARG CG . 15816 1 1159 . 1 1 115 115 ARG N N 15 117.3 0.2 . 1 . . . . 94 ARG N . 15816 1 1160 . 1 1 116 116 ASP H H 1 8.05 0.02 . 1 . . . . 95 ASP H . 15816 1 1161 . 1 1 116 116 ASP HA H 1 4.89 0.02 . 1 . . . . 95 ASP HA . 15816 1 1162 . 1 1 116 116 ASP HB2 H 1 2.68 0.02 . 2 . . . . 95 ASP HB2 . 15816 1 1163 . 1 1 116 116 ASP HB3 H 1 3.07 0.02 . 2 . . . . 95 ASP HB3 . 15816 1 1164 . 1 1 116 116 ASP CA C 13 51.9 0.2 . 1 . . . . 95 ASP CA . 15816 1 1165 . 1 1 116 116 ASP CB C 13 41.8 0.2 . 1 . . . . 95 ASP CB . 15816 1 1166 . 1 1 116 116 ASP N N 15 122.1 0.2 . 1 . . . . 95 ASP N . 15816 1 1167 . 1 1 117 117 PRO HA H 1 4.53 0.02 . 1 . . . . 96 PRO HA . 15816 1 1168 . 1 1 117 117 PRO HB2 H 1 2.04 0.02 . 2 . . . . 96 PRO HB2 . 15816 1 1169 . 1 1 117 117 PRO HB3 H 1 2.32 0.02 . 2 . . . . 96 PRO HB3 . 15816 1 1170 . 1 1 117 117 PRO HD2 H 1 3.88 0.02 . 2 . . . . 96 PRO HD2 . 15816 1 1171 . 1 1 117 117 PRO HD3 H 1 3.91 0.02 . 2 . . . . 96 PRO HD3 . 15816 1 1172 . 1 1 117 117 PRO HG2 H 1 2.01 0.02 . 2 . . . . 96 PRO HG2 . 15816 1 1173 . 1 1 117 117 PRO HG3 H 1 2.04 0.02 . 2 . . . . 96 PRO HG3 . 15816 1 1174 . 1 1 117 117 PRO C C 13 177.4 0.2 . 1 . . . . 96 PRO C . 15816 1 1175 . 1 1 117 117 PRO CA C 13 64.1 0.2 . 1 . . . . 96 PRO CA . 15816 1 1176 . 1 1 117 117 PRO CB C 13 32.0 0.2 . 1 . . . . 96 PRO CB . 15816 1 1177 . 1 1 117 117 PRO CD C 13 50.9 0.2 . 1 . . . . 96 PRO CD . 15816 1 1178 . 1 1 117 117 PRO CG C 13 27.1 0.2 . 1 . . . . 96 PRO CG . 15816 1 1179 . 1 1 118 118 THR H H 1 8.38 0.02 . 1 . . . . 97 THR H . 15816 1 1180 . 1 1 118 118 THR HA H 1 4.23 0.02 . 1 . . . . 97 THR HA . 15816 1 1181 . 1 1 118 118 THR HB H 1 4.27 0.02 . 1 . . . . 97 THR HB . 15816 1 1182 . 1 1 118 118 THR HG21 H 1 1.18 0.02 . 1 . . . . 97 THR HG2 . 15816 1 1183 . 1 1 118 118 THR HG22 H 1 1.18 0.02 . 1 . . . . 97 THR HG2 . 15816 1 1184 . 1 1 118 118 THR HG23 H 1 1.18 0.02 . 1 . . . . 97 THR HG2 . 15816 1 1185 . 1 1 118 118 THR C C 13 174.3 0.2 . 1 . . . . 97 THR C . 15816 1 1186 . 1 1 118 118 THR CA C 13 62.2 0.2 . 1 . . . . 97 THR CA . 15816 1 1187 . 1 1 118 118 THR CB C 13 69.6 0.2 . 1 . . . . 97 THR CB . 15816 1 1188 . 1 1 118 118 THR CG2 C 13 21.6 0.2 . 1 . . . . 97 THR CG2 . 15816 1 1189 . 1 1 118 118 THR N N 15 111.8 0.2 . 1 . . . . 97 THR N . 15816 1 1190 . 1 1 119 119 TYR H H 1 8.00 0.02 . 1 . . . . 98 TYR H . 15816 1 1191 . 1 1 119 119 TYR HA H 1 4.47 0.02 . 1 . . . . 98 TYR HA . 15816 1 1192 . 1 1 119 119 TYR HB2 H 1 2.93 0.02 . 2 . . . . 98 TYR HB2 . 15816 1 1193 . 1 1 119 119 TYR HB3 H 1 3.18 0.02 . 2 . . . . 98 TYR HB3 . 15816 1 1194 . 1 1 119 119 TYR HD1 H 1 7.06 0.02 . 3 . . . . 98 TYR HD1 . 15816 1 1195 . 1 1 119 119 TYR HE1 H 1 6.74 0.02 . 3 . . . . 98 TYR HE1 . 15816 1 1196 . 1 1 119 119 TYR C C 13 175.0 0.2 . 1 . . . . 98 TYR C . 15816 1 1197 . 1 1 119 119 TYR CA C 13 58.5 0.2 . 1 . . . . 98 TYR CA . 15816 1 1198 . 1 1 119 119 TYR CB C 13 38.9 0.2 . 1 . . . . 98 TYR CB . 15816 1 1199 . 1 1 119 119 TYR CD1 C 13 133.2 0.2 . 3 . . . . 98 TYR CD1 . 15816 1 1200 . 1 1 119 119 TYR CE1 C 13 117.8 0.2 . 3 . . . . 98 TYR CE1 . 15816 1 1201 . 1 1 119 119 TYR N N 15 123.8 0.2 . 1 . . . . 98 TYR N . 15816 1 1202 . 1 1 120 120 ARG H H 1 7.79 0.02 . 1 . . . . 99 ARG H . 15816 1 1203 . 1 1 120 120 ARG HA H 1 4.55 0.02 . 1 . . . . 99 ARG HA . 15816 1 1204 . 1 1 120 120 ARG HB2 H 1 1.58 0.02 . 2 . . . . 99 ARG HB2 . 15816 1 1205 . 1 1 120 120 ARG HB3 H 1 1.67 0.02 . 2 . . . . 99 ARG HB3 . 15816 1 1206 . 1 1 120 120 ARG HD2 H 1 3.13 0.02 . 2 . . . . 99 ARG HD2 . 15816 1 1207 . 1 1 120 120 ARG HD3 H 1 3.18 0.02 . 2 . . . . 99 ARG HD3 . 15816 1 1208 . 1 1 120 120 ARG HG2 H 1 1.54 0.02 . 2 . . . . 99 ARG HG2 . 15816 1 1209 . 1 1 120 120 ARG HG3 H 1 1.57 0.02 . 2 . . . . 99 ARG HG3 . 15816 1 1210 . 1 1 120 120 ARG CA C 13 52.4 0.2 . 1 . . . . 99 ARG CA . 15816 1 1211 . 1 1 120 120 ARG CB C 13 31.0 0.2 . 1 . . . . 99 ARG CB . 15816 1 1212 . 1 1 120 120 ARG CD C 13 43.3 0.2 . 1 . . . . 99 ARG CD . 15816 1 1213 . 1 1 120 120 ARG CG C 13 26.5 0.2 . 1 . . . . 99 ARG CG . 15816 1 1214 . 1 1 120 120 ARG N N 15 126.7 0.2 . 1 . . . . 99 ARG N . 15816 1 1215 . 1 1 124 124 GLY C C 13 173.7 0.2 . 1 . . . . 103 GLY C . 15816 1 1216 . 1 1 125 125 GLY H H 1 7.99 0.02 . 1 . . . . 104 GLY H . 15816 1 1217 . 1 1 125 125 GLY CA C 13 45.8 0.2 . 1 . . . . 104 GLY CA . 15816 1 1218 . 1 1 125 125 GLY N N 15 115.1 0.2 . 1 . . . . 104 GLY N . 15816 1 stop_ save_