data_51159 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51159 _Entry.Title ; Backbone chemical shift assignments of Horcolin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-10-28 _Entry.Accession_date 2021-10-28 _Entry.Last_release_date 2021-10-28 _Entry.Original_release_date 2021-10-28 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Vaishali Narayanan . . . 0000-0002-0555-0437 51159 2 'Kishore Babu' Bobbili . . . 0000-0002-9645-6832 51159 3 Nukathoti Sivaji . . . 0000-0001-5706-4994 51159 4 'Nisha G' Jayaprakash . . . 0000-0002-9126-8760 51159 5 Kaza Suguna . . . 0000-0003-4717-6567 51159 6 Avadesha Surolia . . . 0000-0002-2466-2514 51159 7 Ashok Sekhar . . . 0000-0002-8628-7799 51159 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Molecular Biophysics Unit, Indian Institute of Science' . 51159 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51159 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 387 51159 '15N chemical shifts' 130 51159 '1H chemical shifts' 285 51159 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 . . 2022-05-20 2021-10-28 update BMRB 'update entry citation' 51159 1 . . 2022-03-10 2021-10-28 original author 'original release' 51159 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51159 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35225598 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structure and Carbohydrate Recognition by the Nonmitogenic Lectin Horcolin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 61 _Citation.Journal_issue 6 _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 464 _Citation.Page_last 478 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Vaishali Narayanan . . . . 51159 1 2 'Kishore Babu' Bobbili . . . . 51159 1 3 Nukathoti Sivaji . . . . 51159 1 4 'Nisha G' Jayaprakash . . . . 51159 1 5 Kaza Suguna . . . . 51159 1 6 Avadesha Surolia . . . . 51159 1 7 Ashok Sekhar . . . . 51159 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Nuclear Mangetic Resonance Spectroscopy, X-ray crystallography, protein-ligand interaction, 2D lineshape analysis, antiviral' 51159 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51159 _Assembly.ID 1 _Assembly.Name 'Horcolin homodimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Horcolin, subunit 1' 1 $entity_1 . . yes native no no . . . 51159 1 2 'Horcolin, subunit 2' 1 $entity_1 . . no native no no . . . 51159 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51159 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSKPVKIGPWGGNGGSERDV QPKPIRMVSMTVSSGAIVDA IAFTYVGTDNVQHSSGIKWG GTGGTEDTINLDATNYVTEI SGTVGKFGTDDIVTSLKIIT SKGVTRTYGSGTGIPFRVPV LDGGKIAGFFGRAGAFLDAI GFYITP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 146 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q5U9T2 . Horcolin . . . . . . . . . . . . . . 51159 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 51159 1 2 . SER . 51159 1 3 . LYS . 51159 1 4 . PRO . 51159 1 5 . VAL . 51159 1 6 . LYS . 51159 1 7 . ILE . 51159 1 8 . GLY . 51159 1 9 . PRO . 51159 1 10 . TRP . 51159 1 11 . GLY . 51159 1 12 . GLY . 51159 1 13 . ASN . 51159 1 14 . GLY . 51159 1 15 . GLY . 51159 1 16 . SER . 51159 1 17 . GLU . 51159 1 18 . ARG . 51159 1 19 . ASP . 51159 1 20 . VAL . 51159 1 21 . GLN . 51159 1 22 . PRO . 51159 1 23 . LYS . 51159 1 24 . PRO . 51159 1 25 . ILE . 51159 1 26 . ARG . 51159 1 27 . MET . 51159 1 28 . VAL . 51159 1 29 . SER . 51159 1 30 . MET . 51159 1 31 . THR . 51159 1 32 . VAL . 51159 1 33 . SER . 51159 1 34 . SER . 51159 1 35 . GLY . 51159 1 36 . ALA . 51159 1 37 . ILE . 51159 1 38 . VAL . 51159 1 39 . ASP . 51159 1 40 . ALA . 51159 1 41 . ILE . 51159 1 42 . ALA . 51159 1 43 . PHE . 51159 1 44 . THR . 51159 1 45 . TYR . 51159 1 46 . VAL . 51159 1 47 . GLY . 51159 1 48 . THR . 51159 1 49 . ASP . 51159 1 50 . ASN . 51159 1 51 . VAL . 51159 1 52 . GLN . 51159 1 53 . HIS . 51159 1 54 . SER . 51159 1 55 . SER . 51159 1 56 . GLY . 51159 1 57 . ILE . 51159 1 58 . LYS . 51159 1 59 . TRP . 51159 1 60 . GLY . 51159 1 61 . GLY . 51159 1 62 . THR . 51159 1 63 . GLY . 51159 1 64 . GLY . 51159 1 65 . THR . 51159 1 66 . GLU . 51159 1 67 . ASP . 51159 1 68 . THR . 51159 1 69 . ILE . 51159 1 70 . ASN . 51159 1 71 . LEU . 51159 1 72 . ASP . 51159 1 73 . ALA . 51159 1 74 . THR . 51159 1 75 . ASN . 51159 1 76 . TYR . 51159 1 77 . VAL . 51159 1 78 . THR . 51159 1 79 . GLU . 51159 1 80 . ILE . 51159 1 81 . SER . 51159 1 82 . GLY . 51159 1 83 . THR . 51159 1 84 . VAL . 51159 1 85 . GLY . 51159 1 86 . LYS . 51159 1 87 . PHE . 51159 1 88 . GLY . 51159 1 89 . THR . 51159 1 90 . ASP . 51159 1 91 . ASP . 51159 1 92 . ILE . 51159 1 93 . VAL . 51159 1 94 . THR . 51159 1 95 . SER . 51159 1 96 . LEU . 51159 1 97 . LYS . 51159 1 98 . ILE . 51159 1 99 . ILE . 51159 1 100 . THR . 51159 1 101 . SER . 51159 1 102 . LYS . 51159 1 103 . GLY . 51159 1 104 . VAL . 51159 1 105 . THR . 51159 1 106 . ARG . 51159 1 107 . THR . 51159 1 108 . TYR . 51159 1 109 . GLY . 51159 1 110 . SER . 51159 1 111 . GLY . 51159 1 112 . THR . 51159 1 113 . GLY . 51159 1 114 . ILE . 51159 1 115 . PRO . 51159 1 116 . PHE . 51159 1 117 . ARG . 51159 1 118 . VAL . 51159 1 119 . PRO . 51159 1 120 . VAL . 51159 1 121 . LEU . 51159 1 122 . ASP . 51159 1 123 . GLY . 51159 1 124 . GLY . 51159 1 125 . LYS . 51159 1 126 . ILE . 51159 1 127 . ALA . 51159 1 128 . GLY . 51159 1 129 . PHE . 51159 1 130 . PHE . 51159 1 131 . GLY . 51159 1 132 . ARG . 51159 1 133 . ALA . 51159 1 134 . GLY . 51159 1 135 . ALA . 51159 1 136 . PHE . 51159 1 137 . LEU . 51159 1 138 . ASP . 51159 1 139 . ALA . 51159 1 140 . ILE . 51159 1 141 . GLY . 51159 1 142 . PHE . 51159 1 143 . TYR . 51159 1 144 . ILE . 51159 1 145 . THR . 51159 1 146 . PRO . 51159 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 51159 1 . SER 2 2 51159 1 . LYS 3 3 51159 1 . PRO 4 4 51159 1 . VAL 5 5 51159 1 . LYS 6 6 51159 1 . ILE 7 7 51159 1 . GLY 8 8 51159 1 . PRO 9 9 51159 1 . TRP 10 10 51159 1 . GLY 11 11 51159 1 . GLY 12 12 51159 1 . ASN 13 13 51159 1 . GLY 14 14 51159 1 . GLY 15 15 51159 1 . SER 16 16 51159 1 . GLU 17 17 51159 1 . ARG 18 18 51159 1 . ASP 19 19 51159 1 . VAL 20 20 51159 1 . GLN 21 21 51159 1 . PRO 22 22 51159 1 . LYS 23 23 51159 1 . PRO 24 24 51159 1 . ILE 25 25 51159 1 . ARG 26 26 51159 1 . MET 27 27 51159 1 . VAL 28 28 51159 1 . SER 29 29 51159 1 . MET 30 30 51159 1 . THR 31 31 51159 1 . VAL 32 32 51159 1 . SER 33 33 51159 1 . SER 34 34 51159 1 . GLY 35 35 51159 1 . ALA 36 36 51159 1 . ILE 37 37 51159 1 . VAL 38 38 51159 1 . ASP 39 39 51159 1 . ALA 40 40 51159 1 . ILE 41 41 51159 1 . ALA 42 42 51159 1 . PHE 43 43 51159 1 . THR 44 44 51159 1 . TYR 45 45 51159 1 . VAL 46 46 51159 1 . GLY 47 47 51159 1 . THR 48 48 51159 1 . ASP 49 49 51159 1 . ASN 50 50 51159 1 . VAL 51 51 51159 1 . GLN 52 52 51159 1 . HIS 53 53 51159 1 . SER 54 54 51159 1 . SER 55 55 51159 1 . GLY 56 56 51159 1 . ILE 57 57 51159 1 . LYS 58 58 51159 1 . TRP 59 59 51159 1 . GLY 60 60 51159 1 . GLY 61 61 51159 1 . THR 62 62 51159 1 . GLY 63 63 51159 1 . GLY 64 64 51159 1 . THR 65 65 51159 1 . GLU 66 66 51159 1 . ASP 67 67 51159 1 . THR 68 68 51159 1 . ILE 69 69 51159 1 . ASN 70 70 51159 1 . LEU 71 71 51159 1 . ASP 72 72 51159 1 . ALA 73 73 51159 1 . THR 74 74 51159 1 . ASN 75 75 51159 1 . TYR 76 76 51159 1 . VAL 77 77 51159 1 . THR 78 78 51159 1 . GLU 79 79 51159 1 . ILE 80 80 51159 1 . SER 81 81 51159 1 . GLY 82 82 51159 1 . THR 83 83 51159 1 . VAL 84 84 51159 1 . GLY 85 85 51159 1 . LYS 86 86 51159 1 . PHE 87 87 51159 1 . GLY 88 88 51159 1 . THR 89 89 51159 1 . ASP 90 90 51159 1 . ASP 91 91 51159 1 . ILE 92 92 51159 1 . VAL 93 93 51159 1 . THR 94 94 51159 1 . SER 95 95 51159 1 . LEU 96 96 51159 1 . LYS 97 97 51159 1 . ILE 98 98 51159 1 . ILE 99 99 51159 1 . THR 100 100 51159 1 . SER 101 101 51159 1 . LYS 102 102 51159 1 . GLY 103 103 51159 1 . VAL 104 104 51159 1 . THR 105 105 51159 1 . ARG 106 106 51159 1 . THR 107 107 51159 1 . TYR 108 108 51159 1 . GLY 109 109 51159 1 . SER 110 110 51159 1 . GLY 111 111 51159 1 . THR 112 112 51159 1 . GLY 113 113 51159 1 . ILE 114 114 51159 1 . PRO 115 115 51159 1 . PHE 116 116 51159 1 . ARG 117 117 51159 1 . VAL 118 118 51159 1 . PRO 119 119 51159 1 . VAL 120 120 51159 1 . LEU 121 121 51159 1 . ASP 122 122 51159 1 . GLY 123 123 51159 1 . GLY 124 124 51159 1 . LYS 125 125 51159 1 . ILE 126 126 51159 1 . ALA 127 127 51159 1 . GLY 128 128 51159 1 . PHE 129 129 51159 1 . PHE 130 130 51159 1 . GLY 131 131 51159 1 . ARG 132 132 51159 1 . ALA 133 133 51159 1 . GLY 134 134 51159 1 . ALA 135 135 51159 1 . PHE 136 136 51159 1 . LEU 137 137 51159 1 . ASP 138 138 51159 1 . ALA 139 139 51159 1 . ILE 140 140 51159 1 . GLY 141 141 51159 1 . PHE 142 142 51159 1 . TYR 143 143 51159 1 . ILE 144 144 51159 1 . THR 145 145 51159 1 . PRO 146 146 51159 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51159 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 4513 organism . 'Hordeum vulgare' Barley . . Eukaryota Viridiplantae Hordeum vulgare . . . . . . . . . . . . . 51159 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51159 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-22b(+) . . . 51159 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51159 _Sample.ID 1 _Sample.Name sample_1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Horcolin '[U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 51159 1 2 D2O [U-2H] . . . . . . 10 . . '% v/v' . . . . 51159 1 3 H2O 'natural abundance' . . . . . . 90 . . '% v/v' . . . . 51159 1 4 TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 51159 1 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51159 1 6 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 51159 1 7 'sodium azide' 'natural abundance' . . . . . . 0.03 . . '% w/v' . . . . 51159 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51159 _Sample.ID 2 _Sample.Name sample_2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Horcolin '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 51159 2 2 D2O [U-2H] . . . . . . 10 . . '% v/v' . . . . 51159 2 3 H2O 'natural abundance' . . . . . . 90 . . '% v/v' . . . . 51159 2 4 TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 51159 2 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51159 2 6 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 51159 2 7 'sodium azide' 'natural abundance' . . . . . . 0.03 . . '% w/v' . . . . 51159 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 51159 _Sample.ID 3 _Sample.Name sample_3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Horcolin '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 0.6 . . mM . . . . 51159 3 2 D2O [U-2H] . . . . . . 10 . . '% v/v' . . . . 51159 3 3 H2O 'natural abundance' . . . . . . 90 . . '% v/v' . . . . 51159 3 4 TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 51159 3 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51159 3 6 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 51159 3 7 'sodium azide' 'natural abundance' . . . . . . 0.03 . . '% w/v' . . . . 51159 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 51159 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'sample conditions' _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' 25 . mM 51159 1 pH 7.4 . pH 51159 1 pressure 1 . atm 51159 1 temperature 298 . K 51159 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51159 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51159 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51159 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51159 2 'data analysis' . 51159 2 'peak picking' . 51159 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51159 _Software.ID 3 _Software.Type . _Software.Name TALOS+ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'geometry optimization' . 51159 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51159 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Agilent 600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51159 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker 700 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51159 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51159 1 2 '3D HN(CA)CO' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51159 1 3 '3D HNCACB' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51159 1 4 '3D HN(CO)CACB' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51159 1 5 '3D HNN' no no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51159 1 6 '3D HNCA' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51159 1 7 '3D HN(CO)CA' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51159 1 8 '3D HBHA(CO)NH' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51159 1 9 '3D HACA(CO)NH' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51159 1 10 '3D HNHA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51159 1 11 '3D 1H-15N NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51159 1 12 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51159 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51159 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'chemical shift reference' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 51159 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51159 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51159 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51159 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chemical_shift_list _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 51159 1 2 '3D HN(CA)CO' . . . 51159 1 3 '3D HNCACB' . . . 51159 1 4 '3D HN(CO)CACB' . . . 51159 1 5 '3D HNN' . . . 51159 1 6 '3D HNCA' . . . 51159 1 7 '3D HN(CO)CA' . . . 51159 1 8 '3D HBHA(CO)NH' . . . 51159 1 9 '3D HACA(CO)NH' . . . 51159 1 10 '3D HNHA' . . . 51159 1 11 '3D 1H-15N NOESY' . . . 51159 1 12 '2D 1H-15N HSQC' . . . 51159 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 $software_1 . . 51159 1 2 $software_2 . . 51159 1 3 $software_3 . . 51159 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 4 4 PRO HA H 1 4.778 . . 1 . . . . . 4 P HA . 51159 1 2 . 1 . 1 4 4 PRO C C 13 176.667 . . 1 . . . . . 4 P C . 51159 1 3 . 1 . 1 5 5 VAL H H 1 8.774 . . 1 . . . . . 5 V H . 51159 1 4 . 1 . 1 5 5 VAL HA H 1 4.184 . . 1 . . . . . 5 V HA . 51159 1 5 . 1 . 1 5 5 VAL C C 13 173.594 . . 1 . . . . . 5 V C . 51159 1 6 . 1 . 1 5 5 VAL CA C 13 61.767 . . 1 . . . . . 5 V CA . 51159 1 7 . 1 . 1 5 5 VAL CB C 13 31.726 . . 1 . . . . . 5 V CB . 51159 1 8 . 1 . 1 5 5 VAL N N 15 116.664 . . 1 . . . . . 5 V N . 51159 1 9 . 1 . 1 6 6 LYS H H 1 9.535 . . 1 . . . . . 6 K H . 51159 1 10 . 1 . 1 6 6 LYS HA H 1 4.932 . . 1 . . . . . 6 K HA . 51159 1 11 . 1 . 1 6 6 LYS C C 13 174.937 . . 1 . . . . . 6 K C . 51159 1 12 . 1 . 1 6 6 LYS CA C 13 54.895 . . 1 . . . . . 6 K CA . 51159 1 13 . 1 . 1 6 6 LYS CB C 13 35.309 . . 1 . . . . . 6 K CB . 51159 1 14 . 1 . 1 6 6 LYS N N 15 130.977 . . 1 . . . . . 6 K N . 51159 1 15 . 1 . 1 7 7 ILE H H 1 8.898 . . 1 . . . . . 7 I H . 51159 1 16 . 1 . 1 7 7 ILE HA H 1 5.649 . . 1 . . . . . 7 I HA . 51159 1 17 . 1 . 1 7 7 ILE C C 13 173.716 . . 1 . . . . . 7 I C . 51159 1 18 . 1 . 1 7 7 ILE CA C 13 58.303 . . 1 . . . . . 7 I CA . 51159 1 19 . 1 . 1 7 7 ILE CB C 13 42.335 . . 1 . . . . . 7 I CB . 51159 1 20 . 1 . 1 7 7 ILE N N 15 117.462 . . 1 . . . . . 7 I N . 51159 1 21 . 1 . 1 8 8 GLY H H 1 8.113 . . 1 . . . . . 8 G H . 51159 1 22 . 1 . 1 8 8 GLY HA2 H 1 3.967 . . 2 . . . . . 8 G HA2 . 51159 1 23 . 1 . 1 8 8 GLY HA3 H 1 3.967 . . 2 . . . . . 8 G HA3 . 51159 1 24 . 1 . 1 8 8 GLY CA C 13 41.138 . . 1 . . . . . 8 G CA . 51159 1 25 . 1 . 1 8 8 GLY N N 15 106.824 . . 1 . . . . . 8 G N . 51159 1 26 . 1 . 1 9 9 PRO HA H 1 3.969 . . 1 . . . . . 9 P HA . 51159 1 27 . 1 . 1 9 9 PRO C C 13 173.628 . . 1 . . . . . 9 P C . 51159 1 28 . 1 . 1 9 9 PRO CA C 13 61.875 . . 1 . . . . . 9 P CA . 51159 1 29 . 1 . 1 9 9 PRO CB C 13 33.706 . . 1 . . . . . 9 P CB . 51159 1 30 . 1 . 1 10 10 TRP H H 1 8.889 . . 1 . . . . . 10 W H . 51159 1 31 . 1 . 1 10 10 TRP HA H 1 4.252 . . 1 . . . . . 10 W HA . 51159 1 32 . 1 . 1 10 10 TRP C C 13 174.006 . . 1 . . . . . 10 W C . 51159 1 33 . 1 . 1 10 10 TRP CA C 13 59.499 . . 1 . . . . . 10 W CA . 51159 1 34 . 1 . 1 10 10 TRP CB C 13 28.944 . . 1 . . . . . 10 W CB . 51159 1 35 . 1 . 1 10 10 TRP N N 15 121.705 . . 1 . . . . . 10 W N . 51159 1 36 . 1 . 1 11 11 GLY H H 1 8.195 . . 1 . . . . . 11 G H . 51159 1 37 . 1 . 1 11 11 GLY HA2 H 1 5.234 . . 2 . . . . . 11 G HA2 . 51159 1 38 . 1 . 1 11 11 GLY HA3 H 1 5.234 . . 2 . . . . . 11 G HA3 . 51159 1 39 . 1 . 1 11 11 GLY C C 13 173.683 . . 1 . . . . . 11 G C . 51159 1 40 . 1 . 1 11 11 GLY CA C 13 43.931 . . 1 . . . . . 11 G CA . 51159 1 41 . 1 . 1 11 11 GLY N N 15 107.465 . . 1 . . . . . 11 G N . 51159 1 42 . 1 . 1 12 12 GLY H H 1 8.149 . . 1 . . . . . 12 G H . 51159 1 43 . 1 . 1 12 12 GLY HA2 H 1 4.307 . . 2 . . . . . 12 G HA2 . 51159 1 44 . 1 . 1 12 12 GLY HA3 H 1 4.307 . . 2 . . . . . 12 G HA3 . 51159 1 45 . 1 . 1 12 12 GLY C C 13 173.546 . . 1 . . . . . 12 G C . 51159 1 46 . 1 . 1 12 12 GLY CA C 13 43.891 . . 1 . . . . . 12 G CA . 51159 1 47 . 1 . 1 12 12 GLY N N 15 108.755 . . 1 . . . . . 12 G N . 51159 1 48 . 1 . 1 13 13 ASN H H 1 8.385 . . 1 . . . . . 13 N H . 51159 1 49 . 1 . 1 13 13 ASN HA H 1 4.623 . . 1 . . . . . 13 N HA . 51159 1 50 . 1 . 1 13 13 ASN C C 13 176.202 . . 1 . . . . . 13 N C . 51159 1 51 . 1 . 1 13 13 ASN CA C 13 52.201 . . 1 . . . . . 13 N CA . 51159 1 52 . 1 . 1 13 13 ASN CB C 13 38.914 . . 1 . . . . . 13 N CB . 51159 1 53 . 1 . 1 13 13 ASN N N 15 113.793 . . 1 . . . . . 13 N N . 51159 1 54 . 1 . 1 14 14 GLY H H 1 8.802 . . 1 . . . . . 14 G H . 51159 1 55 . 1 . 1 14 14 GLY HA2 H 1 4.134 . . 1 . . . . . 14 G HA2 . 51159 1 56 . 1 . 1 14 14 GLY HA3 H 1 3.696 . . 1 . . . . . 14 G HA3 . 51159 1 57 . 1 . 1 14 14 GLY C C 13 172.677 . . 1 . . . . . 14 G C . 51159 1 58 . 1 . 1 14 14 GLY CA C 13 43.711 . . 1 . . . . . 14 G CA . 51159 1 59 . 1 . 1 14 14 GLY N N 15 110.296 . . 1 . . . . . 14 G N . 51159 1 60 . 1 . 1 15 15 GLY H H 1 7.81 . . 1 . . . . . 15 G H . 51159 1 61 . 1 . 1 15 15 GLY HA2 H 1 3.763 . . 1 . . . . . 15 G HA2 . 51159 1 62 . 1 . 1 15 15 GLY HA3 H 1 3.515 . . 1 . . . . . 15 G HA3 . 51159 1 63 . 1 . 1 15 15 GLY C C 13 173.796 . . 1 . . . . . 15 G C . 51159 1 64 . 1 . 1 15 15 GLY CA C 13 44.34 . . 1 . . . . . 15 G CA . 51159 1 65 . 1 . 1 15 15 GLY N N 15 102.494 . . 1 . . . . . 15 G N . 51159 1 66 . 1 . 1 16 16 SER H H 1 8.254 . . 1 . . . . . 16 S H . 51159 1 67 . 1 . 1 16 16 SER HA H 1 4.788 . . 1 . . . . . 16 S HA . 51159 1 68 . 1 . 1 16 16 SER C C 13 174.787 . . 1 . . . . . 16 S C . 51159 1 69 . 1 . 1 16 16 SER CA C 13 55.673 . . 1 . . . . . 16 S CA . 51159 1 70 . 1 . 1 16 16 SER CB C 13 64.677 . . 1 . . . . . 16 S CB . 51159 1 71 . 1 . 1 16 16 SER N N 15 113.181 . . 1 . . . . . 16 S N . 51159 1 72 . 1 . 1 17 17 GLU H H 1 8.851 . . 1 . . . . . 17 E H . 51159 1 73 . 1 . 1 17 17 GLU HA H 1 4.145 . . 1 . . . . . 17 E HA . 51159 1 74 . 1 . 1 17 17 GLU C C 13 175.674 . . 1 . . . . . 17 E C . 51159 1 75 . 1 . 1 17 17 GLU CA C 13 57.655 . . 1 . . . . . 17 E CA . 51159 1 76 . 1 . 1 17 17 GLU CB C 13 29.148 . . 1 . . . . . 17 E CB . 51159 1 77 . 1 . 1 17 17 GLU N N 15 122.44 . . 1 . . . . . 17 E N . 51159 1 78 . 1 . 1 18 18 ARG H H 1 8.571 . . 1 . . . . . 18 R H . 51159 1 79 . 1 . 1 18 18 ARG HA H 1 4.375 . . 1 . . . . . 18 R HA . 51159 1 80 . 1 . 1 18 18 ARG C C 13 174.246 . . 1 . . . . . 18 R C . 51159 1 81 . 1 . 1 18 18 ARG CA C 13 51.726 . . 1 . . . . . 18 R CA . 51159 1 82 . 1 . 1 18 18 ARG CB C 13 29.205 . . 1 . . . . . 18 R CB . 51159 1 83 . 1 . 1 18 18 ARG N N 15 121.992 . . 1 . . . . . 18 R N . 51159 1 84 . 1 . 1 19 19 ASP H H 1 8.133 . . 1 . . . . . 19 D H . 51159 1 85 . 1 . 1 19 19 ASP HA H 1 5.061 . . 1 . . . . . 19 D HA . 51159 1 86 . 1 . 1 19 19 ASP C C 13 174.745 . . 1 . . . . . 19 D C . 51159 1 87 . 1 . 1 19 19 ASP CA C 13 51.943 . . 1 . . . . . 19 D CA . 51159 1 88 . 1 . 1 19 19 ASP CB C 13 43.073 . . 1 . . . . . 19 D CB . 51159 1 89 . 1 . 1 19 19 ASP N N 15 121.28 . . 1 . . . . . 19 D N . 51159 1 90 . 1 . 1 20 20 VAL H H 1 9.605 . . 1 . . . . . 20 V H . 51159 1 91 . 1 . 1 20 20 VAL HA H 1 5.123 . . 1 . . . . . 20 V HA . 51159 1 92 . 1 . 1 20 20 VAL C C 13 174.247 . . 1 . . . . . 20 V C . 51159 1 93 . 1 . 1 20 20 VAL CA C 13 58.802 . . 1 . . . . . 20 V CA . 51159 1 94 . 1 . 1 20 20 VAL CB C 13 33.739 . . 1 . . . . . 20 V CB . 51159 1 95 . 1 . 1 20 20 VAL N N 15 111.105 . . 1 . . . . . 20 V N . 51159 1 96 . 1 . 1 21 21 GLN H H 1 7.85 . . 1 . . . . . 21 Q H . 51159 1 97 . 1 . 1 21 21 GLN HA H 1 4.144 . . 1 . . . . . 21 Q HA . 51159 1 98 . 1 . 1 21 21 GLN CA C 13 53.422 . . 1 . . . . . 21 Q CA . 51159 1 99 . 1 . 1 21 21 GLN CB C 13 30.835 . . 1 . . . . . 21 Q CB . 51159 1 100 . 1 . 1 21 21 GLN N N 15 118.701 . . 1 . . . . . 21 Q N . 51159 1 101 . 1 . 1 22 22 PRO HA H 1 4.774 . . 1 . . . . . 22 P HA . 51159 1 102 . 1 . 1 22 22 PRO C C 13 176.036 . . 1 . . . . . 22 P C . 51159 1 103 . 1 . 1 22 22 PRO CA C 13 61.777 . . 1 . . . . . 22 P CA . 51159 1 104 . 1 . 1 22 22 PRO CB C 13 33.539 . . 1 . . . . . 22 P CB . 51159 1 105 . 1 . 1 23 23 LYS H H 1 8.933 . . 1 . . . . . 23 K H . 51159 1 106 . 1 . 1 23 23 LYS HA H 1 3.816 . . 1 . . . . . 23 K HA . 51159 1 107 . 1 . 1 23 23 LYS C C 13 173.815 . . 1 . . . . . 23 K C . 51159 1 108 . 1 . 1 23 23 LYS CA C 13 53.49 . . 1 . . . . . 23 K CA . 51159 1 109 . 1 . 1 23 23 LYS CB C 13 28.937 . . 1 . . . . . 23 K CB . 51159 1 110 . 1 . 1 23 23 LYS N N 15 117.598 . . 1 . . . . . 23 K N . 51159 1 111 . 1 . 1 24 24 PRO HA H 1 4.71 . . 1 . . . . . 24 P HA . 51159 1 112 . 1 . 1 24 24 PRO C C 13 175.184 . . 1 . . . . . 24 P C . 51159 1 113 . 1 . 1 25 25 ILE H H 1 8.844 . . 1 . . . . . 25 I H . 51159 1 114 . 1 . 1 25 25 ILE HA H 1 4.538 . . 1 . . . . . 25 I HA . 51159 1 115 . 1 . 1 25 25 ILE C C 13 177.398 . . 1 . . . . . 25 I C . 51159 1 116 . 1 . 1 25 25 ILE CA C 13 59.403 . . 1 . . . . . 25 I CA . 51159 1 117 . 1 . 1 25 25 ILE CB C 13 38.366 . . 1 . . . . . 25 I CB . 51159 1 118 . 1 . 1 25 25 ILE N N 15 107.924 . . 1 . . . . . 25 I N . 51159 1 119 . 1 . 1 26 26 ARG H H 1 7.669 . . 1 . . . . . 26 R H . 51159 1 120 . 1 . 1 26 26 ARG HA H 1 4.392 . . 1 . . . . . 26 R HA . 51159 1 121 . 1 . 1 26 26 ARG C C 13 173.024 . . 1 . . . . . 26 R C . 51159 1 122 . 1 . 1 26 26 ARG CA C 13 56.255 . . 1 . . . . . 26 R CA . 51159 1 123 . 1 . 1 26 26 ARG CB C 13 31.832 . . 1 . . . . . 26 R CB . 51159 1 124 . 1 . 1 26 26 ARG N N 15 119.27 . . 1 . . . . . 26 R N . 51159 1 125 . 1 . 1 27 27 MET H H 1 8.675 . . 1 . . . . . 27 M H . 51159 1 126 . 1 . 1 27 27 MET HA H 1 4.784 . . 1 . . . . . 27 M HA . 51159 1 127 . 1 . 1 27 27 MET C C 13 174.489 . . 1 . . . . . 27 M C . 51159 1 128 . 1 . 1 27 27 MET CA C 13 56.692 . . 1 . . . . . 27 M CA . 51159 1 129 . 1 . 1 27 27 MET CB C 13 35.059 . . 1 . . . . . 27 M CB . 51159 1 130 . 1 . 1 27 27 MET N N 15 127.329 . . 1 . . . . . 27 M N . 51159 1 131 . 1 . 1 28 28 VAL H H 1 9.219 . . 1 . . . . . 28 V H . 51159 1 132 . 1 . 1 28 28 VAL HA H 1 4.18 . . 1 . . . . . 28 V HA . 51159 1 133 . 1 . 1 28 28 VAL C C 13 174.902 . . 1 . . . . . 28 V C . 51159 1 134 . 1 . 1 28 28 VAL CA C 13 63.83 . . 1 . . . . . 28 V CA . 51159 1 135 . 1 . 1 28 28 VAL CB C 13 32.132 . . 1 . . . . . 28 V CB . 51159 1 136 . 1 . 1 28 28 VAL N N 15 128.716 . . 1 . . . . . 28 V N . 51159 1 137 . 1 . 1 29 29 SER H H 1 8.067 . . 1 . . . . . 29 S H . 51159 1 138 . 1 . 1 29 29 SER HA H 1 5.349 . . 1 . . . . . 29 S HA . 51159 1 139 . 1 . 1 29 29 SER C C 13 171.885 . . 1 . . . . . 29 S C . 51159 1 140 . 1 . 1 29 29 SER CA C 13 57.31 . . 1 . . . . . 29 S CA . 51159 1 141 . 1 . 1 29 29 SER CB C 13 65.774 . . 1 . . . . . 29 S CB . 51159 1 142 . 1 . 1 29 29 SER N N 15 113.181 . . 1 . . . . . 29 S N . 51159 1 143 . 1 . 1 30 30 MET H H 1 8.699 . . 1 . . . . . 30 M H . 51159 1 144 . 1 . 1 30 30 MET HA H 1 5.445 . . 1 . . . . . 30 M HA . 51159 1 145 . 1 . 1 30 30 MET C C 13 173.751 . . 1 . . . . . 30 M C . 51159 1 146 . 1 . 1 30 30 MET CA C 13 55.67 . . 1 . . . . . 30 M CA . 51159 1 147 . 1 . 1 30 30 MET CB C 13 35.05 . . 1 . . . . . 30 M CB . 51159 1 148 . 1 . 1 30 30 MET N N 15 115.368 . . 1 . . . . . 30 M N . 51159 1 149 . 1 . 1 31 31 THR H H 1 9.327 . . 1 . . . . . 31 T H . 51159 1 150 . 1 . 1 31 31 THR HA H 1 5.373 . . 1 . . . . . 31 T HA . 51159 1 151 . 1 . 1 31 31 THR C C 13 173.214 . . 1 . . . . . 31 T C . 51159 1 152 . 1 . 1 31 31 THR CA C 13 61.011 . . 1 . . . . . 31 T CA . 51159 1 153 . 1 . 1 31 31 THR CB C 13 71.33 . . 1 . . . . . 31 T CB . 51159 1 154 . 1 . 1 31 31 THR N N 15 120.355 . . 1 . . . . . 31 T N . 51159 1 155 . 1 . 1 32 32 VAL H H 1 8.573 . . 1 . . . . . 32 V H . 51159 1 156 . 1 . 1 32 32 VAL HA H 1 4.409 . . 1 . . . . . 32 V HA . 51159 1 157 . 1 . 1 32 32 VAL C C 13 175.901 . . 1 . . . . . 32 V C . 51159 1 158 . 1 . 1 32 32 VAL CA C 13 60.233 . . 1 . . . . . 32 V CA . 51159 1 159 . 1 . 1 32 32 VAL CB C 13 33.179 . . 1 . . . . . 32 V CB . 51159 1 160 . 1 . 1 32 32 VAL N N 15 128.093 . . 1 . . . . . 32 V N . 51159 1 161 . 1 . 1 33 33 SER H H 1 8.798 . . 1 . . . . . 33 S H . 51159 1 162 . 1 . 1 33 33 SER HA H 1 5.288 . . 1 . . . . . 33 S HA . 51159 1 163 . 1 . 1 33 33 SER C C 13 174.019 . . 1 . . . . . 33 S C . 51159 1 164 . 1 . 1 33 33 SER CA C 13 56.11 . . 1 . . . . . 33 S CA . 51159 1 165 . 1 . 1 33 33 SER CB C 13 63.211 . . 1 . . . . . 33 S CB . 51159 1 166 . 1 . 1 33 33 SER N N 15 124.685 . . 1 . . . . . 33 S N . 51159 1 167 . 1 . 1 34 34 SER H H 1 8.647 . . 1 . . . . . 34 S H . 51159 1 168 . 1 . 1 34 34 SER HA H 1 5.721 . . 1 . . . . . 34 S HA . 51159 1 169 . 1 . 1 34 34 SER C C 13 173.904 . . 1 . . . . . 34 S C . 51159 1 170 . 1 . 1 34 34 SER CA C 13 58.299 . . 1 . . . . . 34 S CA . 51159 1 171 . 1 . 1 34 34 SER CB C 13 66.656 . . 1 . . . . . 34 S CB . 51159 1 172 . 1 . 1 34 34 SER N N 15 117.128 . . 1 . . . . . 34 S N . 51159 1 173 . 1 . 1 35 35 GLY H H 1 8.408 . . 1 . . . . . 35 G H . 51159 1 174 . 1 . 1 35 35 GLY HA2 H 1 4.195 . . 2 . . . . . 35 G HA2 . 51159 1 175 . 1 . 1 35 35 GLY HA3 H 1 4.195 . . 2 . . . . . 35 G HA3 . 51159 1 176 . 1 . 1 35 35 GLY C C 13 174.192 . . 1 . . . . . 35 G C . 51159 1 177 . 1 . 1 35 35 GLY CA C 13 46.98 . . 1 . . . . . 35 G CA . 51159 1 178 . 1 . 1 35 35 GLY N N 15 111.791 . . 1 . . . . . 35 G N . 51159 1 179 . 1 . 1 36 36 ALA HA H 1 4.234 . . 1 . . . . . 36 A HA . 51159 1 180 . 1 . 1 37 37 ILE H H 1 8.367 . . 1 . . . . . 37 I H . 51159 1 181 . 1 . 1 37 37 ILE HA H 1 4.993 . . 1 . . . . . 37 I HA . 51159 1 182 . 1 . 1 37 37 ILE C C 13 174.389 . . 1 . . . . . 37 I C . 51159 1 183 . 1 . 1 37 37 ILE CA C 13 57.687 . . 1 . . . . . 37 I CA . 51159 1 184 . 1 . 1 37 37 ILE CB C 13 40.309 . . 1 . . . . . 37 I CB . 51159 1 185 . 1 . 1 37 37 ILE N N 15 111.693 . . 1 . . . . . 37 I N . 51159 1 186 . 1 . 1 38 38 VAL H H 1 6.871 . . 1 . . . . . 38 V H . 51159 1 187 . 1 . 1 38 38 VAL HA H 1 3.841 . . 1 . . . . . 38 V HA . 51159 1 188 . 1 . 1 38 38 VAL C C 13 172.216 . . 1 . . . . . 38 V C . 51159 1 189 . 1 . 1 38 38 VAL CA C 13 63.535 . . 1 . . . . . 38 V CA . 51159 1 190 . 1 . 1 38 38 VAL CB C 13 29.055 . . 1 . . . . . 38 V CB . 51159 1 191 . 1 . 1 38 38 VAL N N 15 117.534 . . 1 . . . . . 38 V N . 51159 1 192 . 1 . 1 39 39 ASP H H 1 8.199 . . 1 . . . . . 39 D H . 51159 1 193 . 1 . 1 39 39 ASP HA H 1 4.397 . . 1 . . . . . 39 D HA . 51159 1 194 . 1 . 1 39 39 ASP C C 13 175.619 . . 1 . . . . . 39 D C . 51159 1 195 . 1 . 1 39 39 ASP CA C 13 57.539 . . 1 . . . . . 39 D CA . 51159 1 196 . 1 . 1 39 39 ASP CB C 13 42.665 . . 1 . . . . . 39 D CB . 51159 1 197 . 1 . 1 39 39 ASP N N 15 128.888 . . 1 . . . . . 39 D N . 51159 1 198 . 1 . 1 40 40 ALA H H 1 7.885 . . 1 . . . . . 40 A H . 51159 1 199 . 1 . 1 40 40 ALA HA H 1 5.393 . . 1 . . . . . 40 A HA . 51159 1 200 . 1 . 1 40 40 ALA C C 13 175.674 . . 1 . . . . . 40 A C . 51159 1 201 . 1 . 1 40 40 ALA CA C 13 51.618 . . 1 . . . . . 40 A CA . 51159 1 202 . 1 . 1 40 40 ALA CB C 13 22.275 . . 1 . . . . . 40 A CB . 51159 1 203 . 1 . 1 40 40 ALA N N 15 112.714 . . 1 . . . . . 40 A N . 51159 1 204 . 1 . 1 41 41 ILE H H 1 7.901 . . 1 . . . . . 41 I H . 51159 1 205 . 1 . 1 41 41 ILE HA H 1 5.12 . . 1 . . . . . 41 I HA . 51159 1 206 . 1 . 1 41 41 ILE C C 13 171.416 . . 1 . . . . . 41 I C . 51159 1 207 . 1 . 1 41 41 ILE CA C 13 59.634 . . 1 . . . . . 41 I CA . 51159 1 208 . 1 . 1 41 41 ILE CB C 13 42.885 . . 1 . . . . . 41 I CB . 51159 1 209 . 1 . 1 41 41 ILE N N 15 114.397 . . 1 . . . . . 41 I N . 51159 1 210 . 1 . 1 42 42 ALA H H 1 8.472 . . 1 . . . . . 42 A H . 51159 1 211 . 1 . 1 42 42 ALA HA H 1 4.128 . . 1 . . . . . 42 A HA . 51159 1 212 . 1 . 1 42 42 ALA C C 13 174.855 . . 1 . . . . . 42 A C . 51159 1 213 . 1 . 1 42 42 ALA CA C 13 51.085 . . 1 . . . . . 42 A CA . 51159 1 214 . 1 . 1 42 42 ALA CB C 13 22.71 . . 1 . . . . . 42 A CB . 51159 1 215 . 1 . 1 42 42 ALA N N 15 125.59 . . 1 . . . . . 42 A N . 51159 1 216 . 1 . 1 43 43 PHE H H 1 8.884 . . 1 . . . . . 43 F H . 51159 1 217 . 1 . 1 43 43 PHE HA H 1 5.545 . . 1 . . . . . 43 F HA . 51159 1 218 . 1 . 1 43 43 PHE C C 13 172.79 . . 1 . . . . . 43 F C . 51159 1 219 . 1 . 1 43 43 PHE CA C 13 57.52 . . 1 . . . . . 43 F CA . 51159 1 220 . 1 . 1 43 43 PHE CB C 13 39.494 . . 1 . . . . . 43 F CB . 51159 1 221 . 1 . 1 43 43 PHE N N 15 114.595 . . 1 . . . . . 43 F N . 51159 1 222 . 1 . 1 44 44 THR H H 1 9.072 . . 1 . . . . . 44 T H . 51159 1 223 . 1 . 1 44 44 THR HA H 1 5.06 . . 1 . . . . . 44 T HA . 51159 1 224 . 1 . 1 44 44 THR C C 13 175.06 . . 1 . . . . . 44 T C . 51159 1 225 . 1 . 1 44 44 THR CA C 13 60.654 . . 1 . . . . . 44 T CA . 51159 1 226 . 1 . 1 44 44 THR CB C 13 70.95 . . 1 . . . . . 44 T CB . 51159 1 227 . 1 . 1 44 44 THR N N 15 112.349 . . 1 . . . . . 44 T N . 51159 1 228 . 1 . 1 45 45 TYR H H 1 9.381 . . 1 . . . . . 45 Y H . 51159 1 229 . 1 . 1 45 45 TYR HA H 1 5.591 . . 1 . . . . . 45 Y HA . 51159 1 230 . 1 . 1 45 45 TYR C C 13 171.452 . . 1 . . . . . 45 Y C . 51159 1 231 . 1 . 1 45 45 TYR CA C 13 56.227 . . 1 . . . . . 45 Y CA . 51159 1 232 . 1 . 1 45 45 TYR CB C 13 40.551 . . 1 . . . . . 45 Y CB . 51159 1 233 . 1 . 1 45 45 TYR N N 15 122.008 . . 1 . . . . . 45 Y N . 51159 1 234 . 1 . 1 46 46 VAL H H 1 9.263 . . 1 . . . . . 46 V H . 51159 1 235 . 1 . 1 46 46 VAL HA H 1 4.471 . . 1 . . . . . 46 V HA . 51159 1 236 . 1 . 1 46 46 VAL C C 13 177.542 . . 1 . . . . . 46 V C . 51159 1 237 . 1 . 1 46 46 VAL CA C 13 61.638 . . 1 . . . . . 46 V CA . 51159 1 238 . 1 . 1 46 46 VAL CB C 13 32.151 . . 1 . . . . . 46 V CB . 51159 1 239 . 1 . 1 46 46 VAL N N 15 120.254 . . 1 . . . . . 46 V N . 51159 1 240 . 1 . 1 47 47 GLY H H 1 9.228 . . 1 . . . . . 47 G H . 51159 1 241 . 1 . 1 47 47 GLY HA2 H 1 3.919 . . 2 . . . . . 47 G HA2 . 51159 1 242 . 1 . 1 47 47 GLY HA3 H 1 3.919 . . 2 . . . . . 47 G HA3 . 51159 1 243 . 1 . 1 47 47 GLY C C 13 175.124 . . 1 . . . . . 47 G C . 51159 1 244 . 1 . 1 47 47 GLY CA C 13 44.661 . . 1 . . . . . 47 G CA . 51159 1 245 . 1 . 1 47 47 GLY N N 15 114.275 . . 1 . . . . . 47 G N . 51159 1 246 . 1 . 1 48 48 THR H H 1 7.947 . . 1 . . . . . 48 T H . 51159 1 247 . 1 . 1 48 48 THR HA H 1 4.008 . . 1 . . . . . 48 T HA . 51159 1 248 . 1 . 1 48 48 THR C C 13 174.071 . . 1 . . . . . 48 T C . 51159 1 249 . 1 . 1 48 48 THR CA C 13 63.95 . . 1 . . . . . 48 T CA . 51159 1 250 . 1 . 1 48 48 THR CB C 13 67.931 . . 1 . . . . . 48 T CB . 51159 1 251 . 1 . 1 48 48 THR N N 15 109.502 . . 1 . . . . . 48 T N . 51159 1 252 . 1 . 1 49 49 ASP H H 1 8.317 . . 1 . . . . . 49 D H . 51159 1 253 . 1 . 1 49 49 ASP HA H 1 4.449 . . 1 . . . . . 49 D HA . 51159 1 254 . 1 . 1 49 49 ASP C C 13 175.731 . . 1 . . . . . 49 D C . 51159 1 255 . 1 . 1 49 49 ASP CA C 13 52.666 . . 1 . . . . . 49 D CA . 51159 1 256 . 1 . 1 49 49 ASP CB C 13 38.841 . . 1 . . . . . 49 D CB . 51159 1 257 . 1 . 1 49 49 ASP N N 15 118.549 . . 1 . . . . . 49 D N . 51159 1 258 . 1 . 1 50 50 ASN H H 1 8.627 . . 1 . . . . . 50 N H . 51159 1 259 . 1 . 1 50 50 ASN HA H 1 4.199 . . 1 . . . . . 50 N HA . 51159 1 260 . 1 . 1 50 50 ASN C C 13 173.691 . . 1 . . . . . 50 N C . 51159 1 261 . 1 . 1 50 50 ASN CA C 13 54.754 . . 1 . . . . . 50 N CA . 51159 1 262 . 1 . 1 50 50 ASN CB C 13 37.024 . . 1 . . . . . 50 N CB . 51159 1 263 . 1 . 1 50 50 ASN N N 15 113.707 . . 1 . . . . . 50 N N . 51159 1 264 . 1 . 1 51 51 VAL H H 1 7.462 . . 1 . . . . . 51 V H . 51159 1 265 . 1 . 1 51 51 VAL HA H 1 4.15 . . 1 . . . . . 51 V HA . 51159 1 266 . 1 . 1 51 51 VAL C C 13 173.686 . . 1 . . . . . 51 V C . 51159 1 267 . 1 . 1 51 51 VAL CA C 13 60.155 . . 1 . . . . . 51 V CA . 51159 1 268 . 1 . 1 51 51 VAL CB C 13 33.334 . . 1 . . . . . 51 V CB . 51159 1 269 . 1 . 1 51 51 VAL N N 15 119.358 . . 1 . . . . . 51 V N . 51159 1 270 . 1 . 1 52 52 GLN H H 1 8.2 . . 1 . . . . . 52 Q H . 51159 1 271 . 1 . 1 52 52 GLN HA H 1 4.759 . . 1 . . . . . 52 Q HA . 51159 1 272 . 1 . 1 52 52 GLN C C 13 174.184 . . 1 . . . . . 52 Q C . 51159 1 273 . 1 . 1 52 52 GLN CA C 13 55.726 . . 1 . . . . . 52 Q CA . 51159 1 274 . 1 . 1 52 52 GLN CB C 13 28.49 . . 1 . . . . . 52 Q CB . 51159 1 275 . 1 . 1 52 52 GLN N N 15 124.125 . . 1 . . . . . 52 Q N . 51159 1 276 . 1 . 1 53 53 HIS H H 1 8.967 . . 1 . . . . . 53 H H . 51159 1 277 . 1 . 1 53 53 HIS HA H 1 4.62 . . 1 . . . . . 53 H HA . 51159 1 278 . 1 . 1 53 53 HIS C C 13 173.662 . . 1 . . . . . 53 H C . 51159 1 279 . 1 . 1 53 53 HIS CA C 13 54.292 . . 1 . . . . . 53 H CA . 51159 1 280 . 1 . 1 53 53 HIS CB C 13 34.094 . . 1 . . . . . 53 H CB . 51159 1 281 . 1 . 1 53 53 HIS N N 15 123.674 . . 1 . . . . . 53 H N . 51159 1 282 . 1 . 1 54 54 SER H H 1 8.64 . . 1 . . . . . 54 S H . 51159 1 283 . 1 . 1 54 54 SER HA H 1 5.003 . . 1 . . . . . 54 S HA . 51159 1 284 . 1 . 1 54 54 SER C C 13 175.241 . . 1 . . . . . 54 S C . 51159 1 285 . 1 . 1 54 54 SER CA C 13 55.592 . . 1 . . . . . 54 S CA . 51159 1 286 . 1 . 1 54 54 SER CB C 13 64.606 . . 1 . . . . . 54 S CB . 51159 1 287 . 1 . 1 54 54 SER N N 15 112.94 . . 1 . . . . . 54 S N . 51159 1 288 . 1 . 1 55 55 SER H H 1 8.712 . . 1 . . . . . 55 S H . 51159 1 289 . 1 . 1 55 55 SER HA H 1 4.107 . . 1 . . . . . 55 S HA . 51159 1 290 . 1 . 1 55 55 SER C C 13 173.624 . . 1 . . . . . 55 S C . 51159 1 291 . 1 . 1 55 55 SER CA C 13 59.812 . . 1 . . . . . 55 S CA . 51159 1 292 . 1 . 1 55 55 SER CB C 13 61.681 . . 1 . . . . . 55 S CB . 51159 1 293 . 1 . 1 55 55 SER N N 15 119.236 . . 1 . . . . . 55 S N . 51159 1 294 . 1 . 1 56 56 GLY H H 1 8.167 . . 1 . . . . . 56 G H . 51159 1 295 . 1 . 1 56 56 GLY HA2 H 1 4.42 . . 1 . . . . . 56 G HA2 . 51159 1 296 . 1 . 1 56 56 GLY HA3 H 1 3.614 . . 1 . . . . . 56 G HA3 . 51159 1 297 . 1 . 1 56 56 GLY C C 13 174.21 . . 1 . . . . . 56 G C . 51159 1 298 . 1 . 1 56 56 GLY CA C 13 43.744 . . 1 . . . . . 56 G CA . 51159 1 299 . 1 . 1 56 56 GLY N N 15 110.567 . . 1 . . . . . 56 G N . 51159 1 300 . 1 . 1 57 57 ILE H H 1 8.226 . . 1 . . . . . 57 I H . 51159 1 301 . 1 . 1 57 57 ILE HA H 1 3.892 . . 1 . . . . . 57 I HA . 51159 1 302 . 1 . 1 57 57 ILE C C 13 177.387 . . 1 . . . . . 57 I C . 51159 1 303 . 1 . 1 57 57 ILE CA C 13 61.75 . . 1 . . . . . 57 I CA . 51159 1 304 . 1 . 1 57 57 ILE CB C 13 37.204 . . 1 . . . . . 57 I CB . 51159 1 305 . 1 . 1 57 57 ILE N N 15 122.514 . . 1 . . . . . 57 I N . 51159 1 306 . 1 . 1 58 58 LYS H H 1 8.286 . . 1 . . . . . 58 K H . 51159 1 307 . 1 . 1 58 58 LYS HA H 1 3.973 . . 1 . . . . . 58 K HA . 51159 1 308 . 1 . 1 58 58 LYS C C 13 174.978 . . 1 . . . . . 58 K C . 51159 1 309 . 1 . 1 58 58 LYS CA C 13 56.842 . . 1 . . . . . 58 K CA . 51159 1 310 . 1 . 1 58 58 LYS CB C 13 31.471 . . 1 . . . . . 58 K CB . 51159 1 311 . 1 . 1 58 58 LYS N N 15 124.431 . . 1 . . . . . 58 K N . 51159 1 312 . 1 . 1 59 59 TRP H H 1 8.743 . . 1 . . . . . 59 W H . 51159 1 313 . 1 . 1 59 59 TRP HA H 1 4.897 . . 1 . . . . . 59 W HA . 51159 1 314 . 1 . 1 59 59 TRP C C 13 173.223 . . 1 . . . . . 59 W C . 51159 1 315 . 1 . 1 59 59 TRP CA C 13 52.855 . . 1 . . . . . 59 W CA . 51159 1 316 . 1 . 1 59 59 TRP CB C 13 27 . . 1 . . . . . 59 W CB . 51159 1 317 . 1 . 1 59 59 TRP N N 15 123.713 . . 1 . . . . . 59 W N . 51159 1 318 . 1 . 1 60 60 GLY H H 1 7.457 . . 1 . . . . . 60 G H . 51159 1 319 . 1 . 1 60 60 GLY HA2 H 1 3.371 . . 2 . . . . . 60 G HA2 . 51159 1 320 . 1 . 1 60 60 GLY HA3 H 1 3.371 . . 2 . . . . . 60 G HA3 . 51159 1 321 . 1 . 1 60 60 GLY C C 13 173.853 . . 1 . . . . . 60 G C . 51159 1 322 . 1 . 1 60 60 GLY CA C 13 43.083 . . 1 . . . . . 60 G CA . 51159 1 323 . 1 . 1 60 60 GLY N N 15 109.199 . . 1 . . . . . 60 G N . 51159 1 324 . 1 . 1 61 61 GLY H H 1 7.241 . . 1 . . . . . 61 G H . 51159 1 325 . 1 . 1 61 61 GLY HA2 H 1 4.329 . . 1 . . . . . 61 G HA2 . 51159 1 326 . 1 . 1 61 61 GLY HA3 H 1 3.071 . . 1 . . . . . 61 G HA3 . 51159 1 327 . 1 . 1 61 61 GLY C C 13 175.083 . . 1 . . . . . 61 G C . 51159 1 328 . 1 . 1 61 61 GLY CA C 13 43.942 . . 1 . . . . . 61 G CA . 51159 1 329 . 1 . 1 61 61 GLY N N 15 108.534 . . 1 . . . . . 61 G N . 51159 1 330 . 1 . 1 62 62 THR H H 1 8.081 . . 1 . . . . . 62 T H . 51159 1 331 . 1 . 1 62 62 THR HA H 1 4.231 . . 1 . . . . . 62 T HA . 51159 1 332 . 1 . 1 62 62 THR C C 13 176.416 . . 1 . . . . . 62 T C . 51159 1 333 . 1 . 1 62 62 THR CA C 13 61.369 . . 1 . . . . . 62 T CA . 51159 1 334 . 1 . 1 62 62 THR CB C 13 68.757 . . 1 . . . . . 62 T CB . 51159 1 335 . 1 . 1 62 62 THR N N 15 106.242 . . 1 . . . . . 62 T N . 51159 1 336 . 1 . 1 63 63 GLY H H 1 8.579 . . 1 . . . . . 63 G H . 51159 1 337 . 1 . 1 63 63 GLY HA2 H 1 3.783 . . 2 . . . . . 63 G HA2 . 51159 1 338 . 1 . 1 63 63 GLY HA3 H 1 3.783 . . 2 . . . . . 63 G HA3 . 51159 1 339 . 1 . 1 63 63 GLY C C 13 173.37 . . 1 . . . . . 63 G C . 51159 1 340 . 1 . 1 63 63 GLY CA C 13 43.903 . . 1 . . . . . 63 G CA . 51159 1 341 . 1 . 1 63 63 GLY N N 15 111.535 . . 1 . . . . . 63 G N . 51159 1 342 . 1 . 1 64 64 GLY H H 1 7.955 . . 1 . . . . . 64 G H . 51159 1 343 . 1 . 1 64 64 GLY HA2 H 1 3.83 . . 1 . . . . . 64 G HA2 . 51159 1 344 . 1 . 1 64 64 GLY HA3 H 1 3.58 . . 1 . . . . . 64 G HA3 . 51159 1 345 . 1 . 1 64 64 GLY C C 13 173.89 . . 1 . . . . . 64 G C . 51159 1 346 . 1 . 1 64 64 GLY CA C 13 44.45 . . 1 . . . . . 64 G CA . 51159 1 347 . 1 . 1 64 64 GLY N N 15 103.979 . . 1 . . . . . 64 G N . 51159 1 348 . 1 . 1 65 65 THR H H 1 8.319 . . 1 . . . . . 65 T H . 51159 1 349 . 1 . 1 65 65 THR HA H 1 4.6 . . 1 . . . . . 65 T HA . 51159 1 350 . 1 . 1 65 65 THR C C 13 174.806 . . 1 . . . . . 65 T C . 51159 1 351 . 1 . 1 65 65 THR CA C 13 60.739 . . 1 . . . . . 65 T CA . 51159 1 352 . 1 . 1 65 65 THR CB C 13 70.242 . . 1 . . . . . 65 T CB . 51159 1 353 . 1 . 1 65 65 THR N N 15 113.194 . . 1 . . . . . 65 T N . 51159 1 354 . 1 . 1 66 66 GLU H H 1 8.87 . . 1 . . . . . 66 E H . 51159 1 355 . 1 . 1 66 66 GLU HA H 1 4.673 . . 1 . . . . . 66 E HA . 51159 1 356 . 1 . 1 66 66 GLU C C 13 175.995 . . 1 . . . . . 66 E C . 51159 1 357 . 1 . 1 66 66 GLU CA C 13 56.614 . . 1 . . . . . 66 E CA . 51159 1 358 . 1 . 1 66 66 GLU CB C 13 31.072 . . 1 . . . . . 66 E CB . 51159 1 359 . 1 . 1 66 66 GLU N N 15 126.061 . . 1 . . . . . 66 E N . 51159 1 360 . 1 . 1 67 67 ASP H H 1 8.419 . . 1 . . . . . 67 D H . 51159 1 361 . 1 . 1 67 67 ASP HA H 1 4.972 . . 1 . . . . . 67 D HA . 51159 1 362 . 1 . 1 67 67 ASP C C 13 174.061 . . 1 . . . . . 67 D C . 51159 1 363 . 1 . 1 67 67 ASP CA C 13 54.161 . . 1 . . . . . 67 D CA . 51159 1 364 . 1 . 1 67 67 ASP CB C 13 45.9 . . 1 . . . . . 67 D CB . 51159 1 365 . 1 . 1 67 67 ASP N N 15 122.738 . . 1 . . . . . 67 D N . 51159 1 366 . 1 . 1 68 68 THR H H 1 8.397 . . 1 . . . . . 68 T H . 51159 1 367 . 1 . 1 68 68 THR HA H 1 5.468 . . 1 . . . . . 68 T HA . 51159 1 368 . 1 . 1 68 68 THR C C 13 173.566 . . 1 . . . . . 68 T C . 51159 1 369 . 1 . 1 68 68 THR CA C 13 61.471 . . 1 . . . . . 68 T CA . 51159 1 370 . 1 . 1 68 68 THR CB C 13 70.728 . . 1 . . . . . 68 T CB . 51159 1 371 . 1 . 1 68 68 THR N N 15 122.001 . . 1 . . . . . 68 T N . 51159 1 372 . 1 . 1 69 69 ILE H H 1 9.075 . . 1 . . . . . 69 I H . 51159 1 373 . 1 . 1 69 69 ILE HA H 1 4.362 . . 1 . . . . . 69 I HA . 51159 1 374 . 1 . 1 69 69 ILE C C 13 173.957 . . 1 . . . . . 69 I C . 51159 1 375 . 1 . 1 69 69 ILE CA C 13 60.006 . . 1 . . . . . 69 I CA . 51159 1 376 . 1 . 1 69 69 ILE CB C 13 40.048 . . 1 . . . . . 69 I CB . 51159 1 377 . 1 . 1 69 69 ILE N N 15 126.348 . . 1 . . . . . 69 I N . 51159 1 378 . 1 . 1 70 70 ASN H H 1 8.508 . . 1 . . . . . 70 N H . 51159 1 379 . 1 . 1 70 70 ASN HA H 1 5.012 . . 1 . . . . . 70 N HA . 51159 1 380 . 1 . 1 70 70 ASN C C 13 173.81 . . 1 . . . . . 70 N C . 51159 1 381 . 1 . 1 70 70 ASN CA C 13 53.254 . . 1 . . . . . 70 N CA . 51159 1 382 . 1 . 1 70 70 ASN CB C 13 39.9 . . 1 . . . . . 70 N CB . 51159 1 383 . 1 . 1 70 70 ASN N N 15 124.585 . . 1 . . . . . 70 N N . 51159 1 384 . 1 . 1 71 71 LEU H H 1 8.376 . . 1 . . . . . 71 L H . 51159 1 385 . 1 . 1 71 71 LEU HA H 1 4.925 . . 1 . . . . . 71 L HA . 51159 1 386 . 1 . 1 71 71 LEU C C 13 175.779 . . 1 . . . . . 71 L C . 51159 1 387 . 1 . 1 71 71 LEU CA C 13 53.593 . . 1 . . . . . 71 L CA . 51159 1 388 . 1 . 1 71 71 LEU CB C 13 41.79 . . 1 . . . . . 71 L CB . 51159 1 389 . 1 . 1 71 71 LEU N N 15 124.768 . . 1 . . . . . 71 L N . 51159 1 390 . 1 . 1 72 72 ASP H H 1 8.994 . . 1 . . . . . 72 D H . 51159 1 391 . 1 . 1 72 72 ASP HA H 1 4.735 . . 1 . . . . . 72 D HA . 51159 1 392 . 1 . 1 72 72 ASP C C 13 176.914 . . 1 . . . . . 72 D C . 51159 1 393 . 1 . 1 72 72 ASP CA C 13 53.879 . . 1 . . . . . 72 D CA . 51159 1 394 . 1 . 1 72 72 ASP CB C 13 40.857 . . 1 . . . . . 72 D CB . 51159 1 395 . 1 . 1 72 72 ASP N N 15 118.067 . . 1 . . . . . 72 D N . 51159 1 396 . 1 . 1 73 73 ALA HA H 1 4.134 . . 1 . . . . . 73 A HA . 51159 1 397 . 1 . 1 73 73 ALA CA C 13 54.565 . . 1 . . . . . 73 A CA . 51159 1 398 . 1 . 1 73 73 ALA CB C 13 18.27 . . 1 . . . . . 73 A CB . 51159 1 399 . 1 . 1 74 74 THR H H 1 8.537 . . 1 . . . . . 74 T H . 51159 1 400 . 1 . 1 74 74 THR HA H 1 4.63 . . 1 . . . . . 74 T HA . 51159 1 401 . 1 . 1 74 74 THR C C 13 173.863 . . 1 . . . . . 74 T C . 51159 1 402 . 1 . 1 74 74 THR CA C 13 61.351 . . 1 . . . . . 74 T CA . 51159 1 403 . 1 . 1 74 74 THR CB C 13 69.352 . . 1 . . . . . 74 T CB . 51159 1 404 . 1 . 1 74 74 THR N N 15 106.395 . . 1 . . . . . 74 T N . 51159 1 405 . 1 . 1 75 75 ASN H H 1 8.22 . . 1 . . . . . 75 N H . 51159 1 406 . 1 . 1 75 75 ASN HA H 1 4.859 . . 1 . . . . . 75 N HA . 51159 1 407 . 1 . 1 75 75 ASN C C 13 170.425 . . 1 . . . . . 75 N C . 51159 1 408 . 1 . 1 75 75 ASN CA C 13 51.731 . . 1 . . . . . 75 N CA . 51159 1 409 . 1 . 1 75 75 ASN CB C 13 38.354 . . 1 . . . . . 75 N CB . 51159 1 410 . 1 . 1 75 75 ASN N N 15 125.385 . . 1 . . . . . 75 N N . 51159 1 411 . 1 . 1 76 76 TYR H H 1 7.764 . . 1 . . . . . 76 Y H . 51159 1 412 . 1 . 1 76 76 TYR HA H 1 5.184 . . 1 . . . . . 76 Y HA . 51159 1 413 . 1 . 1 76 76 TYR C C 13 174.6 . . 1 . . . . . 76 Y C . 51159 1 414 . 1 . 1 76 76 TYR CA C 13 53.443 . . 1 . . . . . 76 Y CA . 51159 1 415 . 1 . 1 76 76 TYR CB C 13 39.185 . . 1 . . . . . 76 Y CB . 51159 1 416 . 1 . 1 76 76 TYR N N 15 117.325 . . 1 . . . . . 76 Y N . 51159 1 417 . 1 . 1 77 77 VAL H H 1 10.154 . . 1 . . . . . 77 V H . 51159 1 418 . 1 . 1 77 77 VAL HA H 1 4.491 . . 1 . . . . . 77 V HA . 51159 1 419 . 1 . 1 77 77 VAL C C 13 174.627 . . 1 . . . . . 77 V C . 51159 1 420 . 1 . 1 77 77 VAL CA C 13 64.711 . . 1 . . . . . 77 V CA . 51159 1 421 . 1 . 1 77 77 VAL CB C 13 31.2 . . 1 . . . . . 77 V CB . 51159 1 422 . 1 . 1 77 77 VAL N N 15 122.781 . . 1 . . . . . 77 V N . 51159 1 423 . 1 . 1 78 78 THR H H 1 8.536 . . 1 . . . . . 78 T H . 51159 1 424 . 1 . 1 78 78 THR HA H 1 4.628 . . 1 . . . . . 78 T HA . 51159 1 425 . 1 . 1 78 78 THR C C 13 173.71 . . 1 . . . . . 78 T C . 51159 1 426 . 1 . 1 78 78 THR CA C 13 60.915 . . 1 . . . . . 78 T CA . 51159 1 427 . 1 . 1 78 78 THR CB C 13 68.817 . . 1 . . . . . 78 T CB . 51159 1 428 . 1 . 1 78 78 THR N N 15 116.893 . . 1 . . . . . 78 T N . 51159 1 429 . 1 . 1 79 79 GLU H H 1 7.611 . . 1 . . . . . 79 E H . 51159 1 430 . 1 . 1 79 79 GLU HA H 1 5.097 . . 1 . . . . . 79 E HA . 51159 1 431 . 1 . 1 79 79 GLU C C 13 173.654 . . 1 . . . . . 79 E C . 51159 1 432 . 1 . 1 79 79 GLU CA C 13 55.566 . . 1 . . . . . 79 E CA . 51159 1 433 . 1 . 1 79 79 GLU CB C 13 31.254 . . 1 . . . . . 79 E CB . 51159 1 434 . 1 . 1 79 79 GLU N N 15 121.159 . . 1 . . . . . 79 E N . 51159 1 435 . 1 . 1 80 80 ILE H H 1 7.243 . . 1 . . . . . 80 I H . 51159 1 436 . 1 . 1 80 80 ILE HA H 1 5.221 . . 1 . . . . . 80 I HA . 51159 1 437 . 1 . 1 80 80 ILE C C 13 173.292 . . 1 . . . . . 80 I C . 51159 1 438 . 1 . 1 80 80 ILE CA C 13 59.218 . . 1 . . . . . 80 I CA . 51159 1 439 . 1 . 1 80 80 ILE CB C 13 40.113 . . 1 . . . . . 80 I CB . 51159 1 440 . 1 . 1 80 80 ILE N N 15 122.453 . . 1 . . . . . 80 I N . 51159 1 441 . 1 . 1 81 81 SER H H 1 9.143 . . 1 . . . . . 81 S H . 51159 1 442 . 1 . 1 81 81 SER HA H 1 4.759 . . 1 . . . . . 81 S HA . 51159 1 443 . 1 . 1 81 81 SER C C 13 171.682 . . 1 . . . . . 81 S C . 51159 1 444 . 1 . 1 81 81 SER CA C 13 55.557 . . 1 . . . . . 81 S CA . 51159 1 445 . 1 . 1 81 81 SER CB C 13 65.893 . . 1 . . . . . 81 S CB . 51159 1 446 . 1 . 1 81 81 SER N N 15 121.388 . . 1 . . . . . 81 S N . 51159 1 447 . 1 . 1 82 82 GLY H H 1 7.646 . . 1 . . . . . 82 G H . 51159 1 448 . 1 . 1 82 82 GLY HA2 H 1 3.821 . . 2 . . . . . 82 G HA2 . 51159 1 449 . 1 . 1 82 82 GLY HA3 H 1 3.821 . . 2 . . . . . 82 G HA3 . 51159 1 450 . 1 . 1 82 82 GLY C C 13 173.231 . . 1 . . . . . 82 G C . 51159 1 451 . 1 . 1 82 82 GLY CA C 13 46.341 . . 1 . . . . . 82 G CA . 51159 1 452 . 1 . 1 82 82 GLY N N 15 104.208 . . 1 . . . . . 82 G N . 51159 1 453 . 1 . 1 83 83 THR H H 1 7.998 . . 1 . . . . . 83 T H . 51159 1 454 . 1 . 1 83 83 THR HA H 1 5.118 . . 1 . . . . . 83 T HA . 51159 1 455 . 1 . 1 83 83 THR C C 13 173.311 . . 1 . . . . . 83 T C . 51159 1 456 . 1 . 1 83 83 THR CA C 13 58.87 . . 1 . . . . . 83 T CA . 51159 1 457 . 1 . 1 83 83 THR CB C 13 72.28 . . 1 . . . . . 83 T CB . 51159 1 458 . 1 . 1 83 83 THR N N 15 111.078 . . 1 . . . . . 83 T N . 51159 1 459 . 1 . 1 84 84 VAL H H 1 8.487 . . 1 . . . . . 84 V H . 51159 1 460 . 1 . 1 84 84 VAL HA H 1 5.295 . . 1 . . . . . 84 V HA . 51159 1 461 . 1 . 1 84 84 VAL C C 13 176.311 . . 1 . . . . . 84 V C . 51159 1 462 . 1 . 1 84 84 VAL CA C 13 60.213 . . 1 . . . . . 84 V CA . 51159 1 463 . 1 . 1 84 84 VAL CB C 13 33.057 . . 1 . . . . . 84 V CB . 51159 1 464 . 1 . 1 84 84 VAL N N 15 121.103 . . 1 . . . . . 84 V N . 51159 1 465 . 1 . 1 85 85 GLY H H 1 9.22 . . 1 . . . . . 85 G H . 51159 1 466 . 1 . 1 85 85 GLY HA2 H 1 4.755 . . 1 . . . . . 85 G HA2 . 51159 1 467 . 1 . 1 85 85 GLY HA3 H 1 4.16 . . 1 . . . . . 85 G HA3 . 51159 1 468 . 1 . 1 85 85 GLY C C 13 171.155 . . 1 . . . . . 85 G C . 51159 1 469 . 1 . 1 85 85 GLY CA C 13 44.155 . . 1 . . . . . 85 G CA . 51159 1 470 . 1 . 1 85 85 GLY N N 15 116.477 . . 1 . . . . . 85 G N . 51159 1 471 . 1 . 1 86 86 LYS H H 1 8.146 . . 1 . . . . . 86 K H . 51159 1 472 . 1 . 1 86 86 LYS HA H 1 4.15 . . 1 . . . . . 86 K HA . 51159 1 473 . 1 . 1 86 86 LYS C C 13 177.717 . . 1 . . . . . 86 K C . 51159 1 474 . 1 . 1 86 86 LYS CA C 13 55.521 . . 1 . . . . . 86 K CA . 51159 1 475 . 1 . 1 86 86 LYS CB C 13 32.336 . . 1 . . . . . 86 K CB . 51159 1 476 . 1 . 1 86 86 LYS N N 15 118.686 . . 1 . . . . . 86 K N . 51159 1 477 . 1 . 1 87 87 PHE H H 1 8.888 . . 1 . . . . . 87 F H . 51159 1 478 . 1 . 1 87 87 PHE C C 13 175.362 . . 1 . . . . . 87 F C . 51159 1 479 . 1 . 1 87 87 PHE CA C 13 58.718 . . 1 . . . . . 87 F CA . 51159 1 480 . 1 . 1 87 87 PHE CB C 13 40.718 . . 1 . . . . . 87 F CB . 51159 1 481 . 1 . 1 87 87 PHE N N 15 126.889 . . 1 . . . . . 87 F N . 51159 1 482 . 1 . 1 89 89 THR HA H 1 4.223 . . 1 . . . . . 89 T HA . 51159 1 483 . 1 . 1 89 89 THR C C 13 174.509 . . 1 . . . . . 89 T C . 51159 1 484 . 1 . 1 89 89 THR CA C 13 61.689 . . 1 . . . . . 89 T CA . 51159 1 485 . 1 . 1 89 89 THR CB C 13 68.777 . . 1 . . . . . 89 T CB . 51159 1 486 . 1 . 1 90 90 ASP H H 1 7.655 . . 1 . . . . . 90 D H . 51159 1 487 . 1 . 1 90 90 ASP HA H 1 4.972 . . 1 . . . . . 90 D HA . 51159 1 488 . 1 . 1 90 90 ASP C C 13 173.772 . . 1 . . . . . 90 D C . 51159 1 489 . 1 . 1 90 90 ASP CA C 13 54.026 . . 1 . . . . . 90 D CA . 51159 1 490 . 1 . 1 90 90 ASP CB C 13 43.717 . . 1 . . . . . 90 D CB . 51159 1 491 . 1 . 1 90 90 ASP N N 15 121.968 . . 1 . . . . . 90 D N . 51159 1 492 . 1 . 1 91 91 ASP H H 1 8.348 . . 1 . . . . . 91 D H . 51159 1 493 . 1 . 1 91 91 ASP HA H 1 5.062 . . 1 . . . . . 91 D HA . 51159 1 494 . 1 . 1 91 91 ASP C C 13 174.807 . . 1 . . . . . 91 D C . 51159 1 495 . 1 . 1 91 91 ASP CA C 13 53.8 . . 1 . . . . . 91 D CA . 51159 1 496 . 1 . 1 91 91 ASP CB C 13 40.75 . . 1 . . . . . 91 D CB . 51159 1 497 . 1 . 1 91 91 ASP N N 15 121.441 . . 1 . . . . . 91 D N . 51159 1 498 . 1 . 1 92 92 ILE H H 1 8.938 . . 1 . . . . . 92 I H . 51159 1 499 . 1 . 1 92 92 ILE HA H 1 5.664 . . 1 . . . . . 92 I HA . 51159 1 500 . 1 . 1 92 92 ILE C C 13 174.89 . . 1 . . . . . 92 I C . 51159 1 501 . 1 . 1 92 92 ILE CA C 13 58.461 . . 1 . . . . . 92 I CA . 51159 1 502 . 1 . 1 92 92 ILE CB C 13 40.659 . . 1 . . . . . 92 I CB . 51159 1 503 . 1 . 1 92 92 ILE N N 15 117.128 . . 1 . . . . . 92 I N . 51159 1 504 . 1 . 1 93 93 VAL H H 1 8.485 . . 1 . . . . . 93 V H . 51159 1 505 . 1 . 1 93 93 VAL HA H 1 4.622 . . 1 . . . . . 93 V HA . 51159 1 506 . 1 . 1 93 93 VAL C C 13 174.909 . . 1 . . . . . 93 V C . 51159 1 507 . 1 . 1 93 93 VAL CA C 13 63.1 . . 1 . . . . . 93 V CA . 51159 1 508 . 1 . 1 93 93 VAL CB C 13 29.714 . . 1 . . . . . 93 V CB . 51159 1 509 . 1 . 1 93 93 VAL N N 15 120.061 . . 1 . . . . . 93 V N . 51159 1 510 . 1 . 1 94 94 THR H H 1 8.461 . . 1 . . . . . 94 T H . 51159 1 511 . 1 . 1 94 94 THR HA H 1 4.156 . . 1 . . . . . 94 T HA . 51159 1 512 . 1 . 1 94 94 THR C C 13 174.899 . . 1 . . . . . 94 T C . 51159 1 513 . 1 . 1 94 94 THR CA C 13 61.321 . . 1 . . . . . 94 T CA . 51159 1 514 . 1 . 1 94 94 THR CB C 13 69.916 . . 1 . . . . . 94 T CB . 51159 1 515 . 1 . 1 94 94 THR N N 15 116.687 . . 1 . . . . . 94 T N . 51159 1 516 . 1 . 1 95 95 SER H H 1 7.677 . . 1 . . . . . 95 S H . 51159 1 517 . 1 . 1 95 95 SER HA H 1 4.929 . . 1 . . . . . 95 S HA . 51159 1 518 . 1 . 1 95 95 SER C C 13 171.558 . . 1 . . . . . 95 S C . 51159 1 519 . 1 . 1 95 95 SER CA C 13 58.365 . . 1 . . . . . 95 S CA . 51159 1 520 . 1 . 1 95 95 SER CB C 13 65.091 . . 1 . . . . . 95 S CB . 51159 1 521 . 1 . 1 95 95 SER N N 15 111.517 . . 1 . . . . . 95 S N . 51159 1 522 . 1 . 1 96 96 LEU H H 1 8.883 . . 1 . . . . . 96 L H . 51159 1 523 . 1 . 1 96 96 LEU HA H 1 5.271 . . 1 . . . . . 96 L HA . 51159 1 524 . 1 . 1 96 96 LEU C C 13 174.059 . . 1 . . . . . 96 L C . 51159 1 525 . 1 . 1 96 96 LEU CA C 13 53.749 . . 1 . . . . . 96 L CA . 51159 1 526 . 1 . 1 96 96 LEU CB C 13 48.505 . . 1 . . . . . 96 L CB . 51159 1 527 . 1 . 1 96 96 LEU N N 15 118.848 . . 1 . . . . . 96 L N . 51159 1 528 . 1 . 1 97 97 LYS H H 1 9.554 . . 1 . . . . . 97 K H . 51159 1 529 . 1 . 1 97 97 LYS HA H 1 5.266 . . 1 . . . . . 97 K HA . 51159 1 530 . 1 . 1 97 97 LYS C C 13 174.184 . . 1 . . . . . 97 K C . 51159 1 531 . 1 . 1 97 97 LYS CA C 13 54.696 . . 1 . . . . . 97 K CA . 51159 1 532 . 1 . 1 97 97 LYS CB C 13 33.864 . . 1 . . . . . 97 K CB . 51159 1 533 . 1 . 1 97 97 LYS N N 15 126.805 . . 1 . . . . . 97 K N . 51159 1 534 . 1 . 1 98 98 ILE H H 1 8.88 . . 1 . . . . . 98 I H . 51159 1 535 . 1 . 1 98 98 ILE HA H 1 4.821 . . 1 . . . . . 98 I HA . 51159 1 536 . 1 . 1 98 98 ILE C C 13 174.649 . . 1 . . . . . 98 I C . 51159 1 537 . 1 . 1 98 98 ILE CA C 13 58.662 . . 1 . . . . . 98 I CA . 51159 1 538 . 1 . 1 98 98 ILE CB C 13 39.904 . . 1 . . . . . 98 I CB . 51159 1 539 . 1 . 1 98 98 ILE N N 15 123.484 . . 1 . . . . . 98 I N . 51159 1 540 . 1 . 1 99 99 ILE H H 1 8.487 . . 1 . . . . . 99 I H . 51159 1 541 . 1 . 1 99 99 ILE HA H 1 5.073 . . 1 . . . . . 99 I HA . 51159 1 542 . 1 . 1 99 99 ILE C C 13 176.247 . . 1 . . . . . 99 I C . 51159 1 543 . 1 . 1 99 99 ILE CA C 13 60.070 . . 1 . . . . . 99 I CA . 51159 1 544 . 1 . 1 99 99 ILE CB C 13 40.233 . . 1 . . . . . 99 I CB . 51159 1 545 . 1 . 1 99 99 ILE N N 15 124.901 . . 1 . . . . . 99 I N . 51159 1 546 . 1 . 1 100 100 THR H H 1 8.568 . . 1 . . . . . 100 T H . 51159 1 547 . 1 . 1 100 100 THR HA H 1 5.572 . . 1 . . . . . 100 T HA . 51159 1 548 . 1 . 1 100 100 THR C C 13 177.872 . . 1 . . . . . 100 T C . 51159 1 549 . 1 . 1 100 100 THR CA C 13 58.418 . . 1 . . . . . 100 T CA . 51159 1 550 . 1 . 1 100 100 THR CB C 13 71.779 . . 1 . . . . . 100 T CB . 51159 1 551 . 1 . 1 100 100 THR N N 15 113.963 . . 1 . . . . . 100 T N . 51159 1 552 . 1 . 1 101 101 SER H H 1 9.606 . . 1 . . . . . 101 S H . 51159 1 553 . 1 . 1 101 101 SER HA H 1 4.019 . . 1 . . . . . 101 S HA . 51159 1 554 . 1 . 1 101 101 SER C C 13 176.056 . . 1 . . . . . 101 S C . 51159 1 555 . 1 . 1 101 101 SER CA C 13 59.69 . . 1 . . . . . 101 S CA . 51159 1 556 . 1 . 1 101 101 SER CB C 13 61.392 . . 1 . . . . . 101 S CB . 51159 1 557 . 1 . 1 101 101 SER N N 15 116.152 . . 1 . . . . . 101 S N . 51159 1 558 . 1 . 1 102 102 LYS H H 1 7.181 . . 1 . . . . . 102 K H . 51159 1 559 . 1 . 1 102 102 LYS HA H 1 4.538 . . 1 . . . . . 102 K HA . 51159 1 560 . 1 . 1 102 102 LYS C C 13 176.648 . . 1 . . . . . 102 K C . 51159 1 561 . 1 . 1 102 102 LYS CA C 13 54.704 . . 1 . . . . . 102 K CA . 51159 1 562 . 1 . 1 102 102 LYS CB C 13 30.946 . . 1 . . . . . 102 K CB . 51159 1 563 . 1 . 1 102 102 LYS N N 15 118.724 . . 1 . . . . . 102 K N . 51159 1 564 . 1 . 1 103 103 GLY H H 1 8.14 . . 1 . . . . . 103 G H . 51159 1 565 . 1 . 1 103 103 GLY HA2 H 1 4.16 . . 1 . . . . . 103 G HA2 . 51159 1 566 . 1 . 1 103 103 GLY HA3 H 1 3.54 . . 1 . . . . . 103 G HA3 . 51159 1 567 . 1 . 1 103 103 GLY C C 13 174.79 . . 1 . . . . . 103 G C . 51159 1 568 . 1 . 1 103 103 GLY CA C 13 45.008 . . 1 . . . . . 103 G CA . 51159 1 569 . 1 . 1 103 103 GLY N N 15 108.231 . . 1 . . . . . 103 G N . 51159 1 570 . 1 . 1 104 104 VAL H H 1 7.222 . . 1 . . . . . 104 V H . 51159 1 571 . 1 . 1 104 104 VAL HA H 1 3.879 . . 1 . . . . . 104 V HA . 51159 1 572 . 1 . 1 104 104 VAL C C 13 175.228 . . 1 . . . . . 104 V C . 51159 1 573 . 1 . 1 104 104 VAL CA C 13 62.77 . . 1 . . . . . 104 V CA . 51159 1 574 . 1 . 1 104 104 VAL CB C 13 30.246 . . 1 . . . . . 104 V CB . 51159 1 575 . 1 . 1 104 104 VAL N N 15 122.321 . . 1 . . . . . 104 V N . 51159 1 576 . 1 . 1 105 105 THR H H 1 8.366 . . 1 . . . . . 105 T H . 51159 1 577 . 1 . 1 105 105 THR HA H 1 5.47 . . 1 . . . . . 105 T HA . 51159 1 578 . 1 . 1 105 105 THR C C 13 174.388 . . 1 . . . . . 105 T C . 51159 1 579 . 1 . 1 105 105 THR CA C 13 60.08 . . 1 . . . . . 105 T CA . 51159 1 580 . 1 . 1 105 105 THR CB C 13 70.401 . . 1 . . . . . 105 T CB . 51159 1 581 . 1 . 1 105 105 THR N N 15 121.167 . . 1 . . . . . 105 T N . 51159 1 582 . 1 . 1 106 106 ARG H H 1 8.617 . . 1 . . . . . 106 R H . 51159 1 583 . 1 . 1 106 106 ARG HA H 1 4.529 . . 1 . . . . . 106 R HA . 51159 1 584 . 1 . 1 106 106 ARG C C 13 174.07 . . 1 . . . . . 106 R C . 51159 1 585 . 1 . 1 106 106 ARG CA C 13 53.414 . . 1 . . . . . 106 R CA . 51159 1 586 . 1 . 1 106 106 ARG CB C 13 33.851 . . 1 . . . . . 106 R CB . 51159 1 587 . 1 . 1 106 106 ARG N N 15 125.27 . . 1 . . . . . 106 R N . 51159 1 588 . 1 . 1 107 107 THR H H 1 7.921 . . 1 . . . . . 107 T H . 51159 1 589 . 1 . 1 107 107 THR HA H 1 4.644 . . 1 . . . . . 107 T HA . 51159 1 590 . 1 . 1 107 107 THR C C 13 172.409 . . 1 . . . . . 107 T C . 51159 1 591 . 1 . 1 107 107 THR CA C 13 60.317 . . 1 . . . . . 107 T CA . 51159 1 592 . 1 . 1 107 107 THR CB C 13 69.605 . . 1 . . . . . 107 T CB . 51159 1 593 . 1 . 1 107 107 THR N N 15 114.861 . . 1 . . . . . 107 T N . 51159 1 594 . 1 . 1 108 108 TYR H H 1 9.304 . . 1 . . . . . 108 Y H . 51159 1 595 . 1 . 1 108 108 TYR HA H 1 4.758 . . 1 . . . . . 108 Y HA . 51159 1 596 . 1 . 1 108 108 TYR C C 13 175.667 . . 1 . . . . . 108 Y C . 51159 1 597 . 1 . 1 108 108 TYR CA C 13 55.961 . . 1 . . . . . 108 Y CA . 51159 1 598 . 1 . 1 108 108 TYR CB C 13 39.937 . . 1 . . . . . 108 Y CB . 51159 1 599 . 1 . 1 108 108 TYR N N 15 125.404 . . 1 . . . . . 108 Y N . 51159 1 600 . 1 . 1 109 109 GLY H H 1 8.548 . . 1 . . . . . 109 G H . 51159 1 601 . 1 . 1 109 109 GLY HA2 H 1 4.18 . . 2 . . . . . 109 G HA2 . 51159 1 602 . 1 . 1 109 109 GLY HA3 H 1 4.18 . . 2 . . . . . 109 G HA3 . 51159 1 603 . 1 . 1 109 109 GLY C C 13 173.313 . . 1 . . . . . 109 G C . 51159 1 604 . 1 . 1 109 109 GLY CA C 13 43.453 . . 1 . . . . . 109 G CA . 51159 1 605 . 1 . 1 109 109 GLY N N 15 109.043 . . 1 . . . . . 109 G N . 51159 1 606 . 1 . 1 110 110 SER H H 1 8.106 . . 1 . . . . . 110 S H . 51159 1 607 . 1 . 1 110 110 SER HA H 1 4.702 . . 1 . . . . . 110 S HA . 51159 1 608 . 1 . 1 110 110 SER C C 13 174.63 . . 1 . . . . . 110 S C . 51159 1 609 . 1 . 1 110 110 SER CA C 13 57.145 . . 1 . . . . . 110 S CA . 51159 1 610 . 1 . 1 110 110 SER CB C 13 63.683 . . 1 . . . . . 110 S CB . 51159 1 611 . 1 . 1 110 110 SER N N 15 113.254 . . 1 . . . . . 110 S N . 51159 1 612 . 1 . 1 111 111 GLY H H 1 7.989 . . 1 . . . . . 111 G H . 51159 1 613 . 1 . 1 111 111 GLY C C 13 172.05 . . 1 . . . . . 111 G C . 51159 1 614 . 1 . 1 111 111 GLY CA C 13 45.332 . . 1 . . . . . 111 G CA . 51159 1 615 . 1 . 1 111 111 GLY N N 15 109.906 . . 1 . . . . . 111 G N . 51159 1 616 . 1 . 1 112 112 THR H H 1 8.217 . . 1 . . . . . 112 T H . 51159 1 617 . 1 . 1 112 112 THR HA H 1 4.635 . . 1 . . . . . 112 T HA . 51159 1 618 . 1 . 1 112 112 THR C C 13 174.152 . . 1 . . . . . 112 T C . 51159 1 619 . 1 . 1 112 112 THR CA C 13 59.387 . . 1 . . . . . 112 T CA . 51159 1 620 . 1 . 1 112 112 THR CB C 13 69.804 . . 1 . . . . . 112 T CB . 51159 1 621 . 1 . 1 112 112 THR N N 15 111.988 . . 1 . . . . . 112 T N . 51159 1 622 . 1 . 1 113 113 GLY H H 1 8.324 . . 1 . . . . . 113 G H . 51159 1 623 . 1 . 1 113 113 GLY C C 13 174.323 . . 1 . . . . . 113 G C . 51159 1 624 . 1 . 1 113 113 GLY CA C 13 43.63 . . 1 . . . . . 113 G CA . 51159 1 625 . 1 . 1 113 113 GLY N N 15 109.5 . . 1 . . . . . 113 G N . 51159 1 626 . 1 . 1 114 114 ILE H H 1 9.025 . . 1 . . . . . 114 I H . 51159 1 627 . 1 . 1 114 114 ILE HA H 1 4.492 . . 1 . . . . . 114 I HA . 51159 1 628 . 1 . 1 114 114 ILE C C 13 176.174 . . 1 . . . . . 114 I C . 51159 1 629 . 1 . 1 114 114 ILE CA C 13 57.927 . . 1 . . . . . 114 I CA . 51159 1 630 . 1 . 1 114 114 ILE CB C 13 38.345 . . 1 . . . . . 114 I CB . 51159 1 631 . 1 . 1 114 114 ILE N N 15 124.967 . . 1 . . . . . 114 I N . 51159 1 632 . 1 . 1 115 115 PRO C C 13 176.434 . . 1 . . . . . 115 P C . 51159 1 633 . 1 . 1 115 115 PRO CA C 13 62 . . 1 . . . . . 115 P CA . 51159 1 634 . 1 . 1 115 115 PRO CB C 13 32.319 . . 1 . . . . . 115 P CB . 51159 1 635 . 1 . 1 116 116 PHE H H 1 8.068 . . 1 . . . . . 116 F H . 51159 1 636 . 1 . 1 116 116 PHE HA H 1 5.002 . . 1 . . . . . 116 F HA . 51159 1 637 . 1 . 1 116 116 PHE C C 13 173.193 . . 1 . . . . . 116 F C . 51159 1 638 . 1 . 1 116 116 PHE CA C 13 55.689 . . 1 . . . . . 116 F CA . 51159 1 639 . 1 . 1 116 116 PHE CB C 13 41.251 . . 1 . . . . . 116 F CB . 51159 1 640 . 1 . 1 116 116 PHE N N 15 116.02 . . 1 . . . . . 116 F N . 51159 1 641 . 1 . 1 117 117 ARG H H 1 9.004 . . 1 . . . . . 117 R H . 51159 1 642 . 1 . 1 117 117 ARG HA H 1 4.436 . . 1 . . . . . 117 R HA . 51159 1 643 . 1 . 1 117 117 ARG C C 13 174.106 . . 1 . . . . . 117 R C . 51159 1 644 . 1 . 1 117 117 ARG CA C 13 55.883 . . 1 . . . . . 117 R CA . 51159 1 645 . 1 . 1 117 117 ARG CB C 13 32.152 . . 1 . . . . . 117 R CB . 51159 1 646 . 1 . 1 117 117 ARG N N 15 121.15 . . 1 . . . . . 117 R N . 51159 1 647 . 1 . 1 118 118 VAL H H 1 9.003 . . 1 . . . . . 118 V H . 51159 1 648 . 1 . 1 118 118 VAL C C 13 171.242 . . 1 . . . . . 118 V C . 51159 1 649 . 1 . 1 118 118 VAL CA C 13 60.288 . . 1 . . . . . 118 V CA . 51159 1 650 . 1 . 1 118 118 VAL CB C 13 32.506 . . 1 . . . . . 118 V CB . 51159 1 651 . 1 . 1 118 118 VAL N N 15 124.592 . . 1 . . . . . 118 V N . 51159 1 652 . 1 . 1 119 119 PRO HA H 1 4.855 . . 1 . . . . . 119 P HA . 51159 1 653 . 1 . 1 119 119 PRO C C 13 175.762 . . 1 . . . . . 119 P C . 51159 1 654 . 1 . 1 119 119 PRO CA C 13 59.703 . . 1 . . . . . 119 P CA . 51159 1 655 . 1 . 1 119 119 PRO CB C 13 29.946 . . 1 . . . . . 119 P CB . 51159 1 656 . 1 . 1 120 120 VAL H H 1 9.263 . . 1 . . . . . 120 V H . 51159 1 657 . 1 . 1 120 120 VAL HA H 1 4.55 . . 1 . . . . . 120 V HA . 51159 1 658 . 1 . 1 120 120 VAL C C 13 176.839 . . 1 . . . . . 120 V C . 51159 1 659 . 1 . 1 120 120 VAL CA C 13 61.349 . . 1 . . . . . 120 V CA . 51159 1 660 . 1 . 1 120 120 VAL CB C 13 31.534 . . 1 . . . . . 120 V CB . 51159 1 661 . 1 . 1 120 120 VAL N N 15 123.219 . . 1 . . . . . 120 V N . 51159 1 662 . 1 . 1 121 121 LEU H H 1 8.622 . . 1 . . . . . 121 L H . 51159 1 663 . 1 . 1 121 121 LEU HA H 1 4.805 . . 1 . . . . . 121 L HA . 51159 1 664 . 1 . 1 121 121 LEU C C 13 177.867 . . 1 . . . . . 121 L C . 51159 1 665 . 1 . 1 121 121 LEU CA C 13 53.498 . . 1 . . . . . 121 L CA . 51159 1 666 . 1 . 1 121 121 LEU CB C 13 43.483 . . 1 . . . . . 121 L CB . 51159 1 667 . 1 . 1 121 121 LEU N N 15 128.153 . . 1 . . . . . 121 L N . 51159 1 668 . 1 . 1 122 122 ASP H H 1 8.839 . . 1 . . . . . 122 D H . 51159 1 669 . 1 . 1 122 122 ASP C C 13 176.458 . . 1 . . . . . 122 D C . 51159 1 670 . 1 . 1 122 122 ASP CA C 13 54.836 . . 1 . . . . . 122 D CA . 51159 1 671 . 1 . 1 122 122 ASP CB C 13 38.334 . . 1 . . . . . 122 D CB . 51159 1 672 . 1 . 1 122 122 ASP N N 15 116.389 . . 1 . . . . . 122 D N . 51159 1 673 . 1 . 1 123 123 GLY H H 1 8.045 . . 1 . . . . . 123 G H . 51159 1 674 . 1 . 1 123 123 GLY HA2 H 1 4.273 . . 1 . . . . . 123 G HA2 . 51159 1 675 . 1 . 1 123 123 GLY HA3 H 1 3.743 . . 1 . . . . . 123 G HA3 . 51159 1 676 . 1 . 1 123 123 GLY C C 13 173.886 . . 1 . . . . . 123 G C . 51159 1 677 . 1 . 1 123 123 GLY CA C 13 44.99 . . 1 . . . . . 123 G CA . 51159 1 678 . 1 . 1 123 123 GLY N N 15 106.448 . . 1 . . . . . 123 G N . 51159 1 679 . 1 . 1 124 124 GLY H H 1 7.368 . . 1 . . . . . 124 G H . 51159 1 680 . 1 . 1 124 124 GLY HA2 H 1 3.866 . . 1 . . . . . 124 G HA2 . 51159 1 681 . 1 . 1 124 124 GLY HA3 H 1 4.315 . . 1 . . . . . 124 G HA3 . 51159 1 682 . 1 . 1 124 124 GLY C C 13 172.421 . . 1 . . . . . 124 G C . 51159 1 683 . 1 . 1 124 124 GLY CA C 13 45.348 . . 1 . . . . . 124 G CA . 51159 1 684 . 1 . 1 124 124 GLY N N 15 106.849 . . 1 . . . . . 124 G N . 51159 1 685 . 1 . 1 125 125 LYS H H 1 8.54 . . 1 . . . . . 125 K H . 51159 1 686 . 1 . 1 125 125 LYS HA H 1 5.152 . . 1 . . . . . 125 K HA . 51159 1 687 . 1 . 1 125 125 LYS C C 13 175.117 . . 1 . . . . . 125 K C . 51159 1 688 . 1 . 1 125 125 LYS CA C 13 53.572 . . 1 . . . . . 125 K CA . 51159 1 689 . 1 . 1 125 125 LYS CB C 13 34.506 . . 1 . . . . . 125 K CB . 51159 1 690 . 1 . 1 125 125 LYS N N 15 112.251 . . 1 . . . . . 125 K N . 51159 1 691 . 1 . 1 126 126 ILE H H 1 7.952 . . 1 . . . . . 126 I H . 51159 1 692 . 1 . 1 126 126 ILE HA H 1 4.294 . . 1 . . . . . 126 I HA . 51159 1 693 . 1 . 1 126 126 ILE C C 13 175.012 . . 1 . . . . . 126 I C . 51159 1 694 . 1 . 1 126 126 ILE CA C 13 60.988 . . 1 . . . . . 126 I CA . 51159 1 695 . 1 . 1 126 126 ILE CB C 13 35.218 . . 1 . . . . . 126 I CB . 51159 1 696 . 1 . 1 126 126 ILE N N 15 119.091 . . 1 . . . . . 126 I N . 51159 1 697 . 1 . 1 127 127 ALA H H 1 9.328 . . 1 . . . . . 127 A H . 51159 1 698 . 1 . 1 127 127 ALA HA H 1 4.268 . . 1 . . . . . 127 A HA . 51159 1 699 . 1 . 1 127 127 ALA C C 13 173.381 . . 1 . . . . . 127 A C . 51159 1 700 . 1 . 1 127 127 ALA CA C 13 51.63 . . 1 . . . . . 127 A CA . 51159 1 701 . 1 . 1 127 127 ALA CB C 13 19.386 . . 1 . . . . . 127 A CB . 51159 1 702 . 1 . 1 127 127 ALA N N 15 132.562 . . 1 . . . . . 127 A N . 51159 1 703 . 1 . 1 128 128 GLY H H 1 6.957 . . 1 . . . . . 128 G H . 51159 1 704 . 1 . 1 128 128 GLY HA2 H 1 3.572 . . 2 . . . . . 128 G HA2 . 51159 1 705 . 1 . 1 128 128 GLY HA3 H 1 3.572 . . 2 . . . . . 128 G HA3 . 51159 1 706 . 1 . 1 128 128 GLY C C 13 170.365 . . 1 . . . . . 128 G C . 51159 1 707 . 1 . 1 128 128 GLY CA C 13 44.84 . . 1 . . . . . 128 G CA . 51159 1 708 . 1 . 1 128 128 GLY N N 15 97.821 . . 1 . . . . . 128 G N . 51159 1 709 . 1 . 1 129 129 PHE C C 13 172.511 . . 1 . . . . . 129 F C . 51159 1 710 . 1 . 1 130 130 PHE H H 1 7.654 . . 1 . . . . . 130 F H . 51159 1 711 . 1 . 1 130 130 PHE HA H 1 5.241 . . 1 . . . . . 130 F HA . 51159 1 712 . 1 . 1 130 130 PHE C C 13 173 . . 1 . . . . . 130 F C . 51159 1 713 . 1 . 1 130 130 PHE CA C 13 56.008 . . 1 . . . . . 130 F CA . 51159 1 714 . 1 . 1 130 130 PHE CB C 13 40.591 . . 1 . . . . . 130 F CB . 51159 1 715 . 1 . 1 130 130 PHE N N 15 111.708 . . 1 . . . . . 130 F N . 51159 1 716 . 1 . 1 131 131 GLY H H 1 8.446 . . 1 . . . . . 131 G H . 51159 1 717 . 1 . 1 131 131 GLY HA2 H 1 4.565 . . 1 . . . . . 131 G HA2 . 51159 1 718 . 1 . 1 131 131 GLY HA3 H 1 3.135 . . 1 . . . . . 131 G HA3 . 51159 1 719 . 1 . 1 131 131 GLY C C 13 171.557 . . 1 . . . . . 131 G C . 51159 1 720 . 1 . 1 131 131 GLY CA C 13 45.518 . . 1 . . . . . 131 G CA . 51159 1 721 . 1 . 1 131 131 GLY N N 15 104.074 . . 1 . . . . . 131 G N . 51159 1 722 . 1 . 1 132 132 ARG H H 1 8.821 . . 1 . . . . . 132 R H . 51159 1 723 . 1 . 1 132 132 ARG HA H 1 5.014 . . 1 . . . . . 132 R HA . 51159 1 724 . 1 . 1 132 132 ARG C C 13 174.16 . . 1 . . . . . 132 R C . 51159 1 725 . 1 . 1 132 132 ARG CA C 13 54.543 . . 1 . . . . . 132 R CA . 51159 1 726 . 1 . 1 132 132 ARG CB C 13 34.652 . . 1 . . . . . 132 R CB . 51159 1 727 . 1 . 1 132 132 ARG N N 15 123.299 . . 1 . . . . . 132 R N . 51159 1 728 . 1 . 1 133 133 ALA H H 1 8.596 . . 1 . . . . . 133 A H . 51159 1 729 . 1 . 1 133 133 ALA HA H 1 5.606 . . 1 . . . . . 133 A HA . 51159 1 730 . 1 . 1 133 133 ALA C C 13 177.914 . . 1 . . . . . 133 A C . 51159 1 731 . 1 . 1 133 133 ALA CA C 13 52.154 . . 1 . . . . . 133 A CA . 51159 1 732 . 1 . 1 133 133 ALA CB C 13 22.844 . . 1 . . . . . 133 A CB . 51159 1 733 . 1 . 1 133 133 ALA N N 15 118.967 . . 1 . . . . . 133 A N . 51159 1 734 . 1 . 1 134 134 GLY H H 1 8.628 . . 1 . . . . . 134 G H . 51159 1 735 . 1 . 1 134 134 GLY HA2 H 1 4.139 . . 1 . . . . . 134 G HA2 . 51159 1 736 . 1 . 1 134 134 GLY HA3 H 1 4.08 . . 1 . . . . . 134 G HA3 . 51159 1 737 . 1 . 1 134 134 GLY C C 13 172.791 . . 1 . . . . . 134 G C . 51159 1 738 . 1 . 1 134 134 GLY CA C 13 46.757 . . 1 . . . . . 134 G CA . 51159 1 739 . 1 . 1 134 134 GLY N N 15 115.427 . . 1 . . . . . 134 G N . 51159 1 740 . 1 . 1 135 135 ALA HA H 1 3.89 . . 1 . . . . . 135 A HA . 51159 1 741 . 1 . 1 135 135 ALA C C 13 175.035 . . 1 . . . . . 135 A C . 51159 1 742 . 1 . 1 135 135 ALA CA C 13 53.282 . . 1 . . . . . 135 A CA . 51159 1 743 . 1 . 1 135 135 ALA CB C 13 17.814 . . 1 . . . . . 135 A CB . 51159 1 744 . 1 . 1 136 136 PHE H H 1 8.54 . . 1 . . . . . 136 F H . 51159 1 745 . 1 . 1 136 136 PHE HA H 1 5.533 . . 1 . . . . . 136 F HA . 51159 1 746 . 1 . 1 136 136 PHE C C 13 174.417 . . 1 . . . . . 136 F C . 51159 1 747 . 1 . 1 136 136 PHE CA C 13 53.595 . . 1 . . . . . 136 F CA . 51159 1 748 . 1 . 1 136 136 PHE CB C 13 41.667 . . 1 . . . . . 136 F CB . 51159 1 749 . 1 . 1 136 136 PHE N N 15 115.649 . . 1 . . . . . 136 F N . 51159 1 750 . 1 . 1 137 137 LEU H H 1 8.061 . . 1 . . . . . 137 L H . 51159 1 751 . 1 . 1 137 137 LEU HA H 1 4.828 . . 1 . . . . . 137 L HA . 51159 1 752 . 1 . 1 137 137 LEU C C 13 173.306 . . 1 . . . . . 137 L C . 51159 1 753 . 1 . 1 137 137 LEU CA C 13 53.625 . . 1 . . . . . 137 L CA . 51159 1 754 . 1 . 1 137 137 LEU CB C 13 40.919 . . 1 . . . . . 137 L CB . 51159 1 755 . 1 . 1 137 137 LEU N N 15 120.102 . . 1 . . . . . 137 L N . 51159 1 756 . 1 . 1 138 138 ASP H H 1 7.988 . . 1 . . . . . 138 D H . 51159 1 757 . 1 . 1 138 138 ASP HA H 1 4.313 . . 1 . . . . . 138 D HA . 51159 1 758 . 1 . 1 138 138 ASP C C 13 176.021 . . 1 . . . . . 138 D C . 51159 1 759 . 1 . 1 138 138 ASP CA C 13 58.037 . . 1 . . . . . 138 D CA . 51159 1 760 . 1 . 1 138 138 ASP CB C 13 41.257 . . 1 . . . . . 138 D CB . 51159 1 761 . 1 . 1 138 138 ASP N N 15 128.064 . . 1 . . . . . 138 D N . 51159 1 762 . 1 . 1 139 139 ALA H H 1 8.418 . . 1 . . . . . 139 A H . 51159 1 763 . 1 . 1 139 139 ALA HA H 1 5.08 . . 1 . . . . . 139 A HA . 51159 1 764 . 1 . 1 139 139 ALA C C 13 174.829 . . 1 . . . . . 139 A C . 51159 1 765 . 1 . 1 139 139 ALA CA C 13 51.429 . . 1 . . . . . 139 A CA . 51159 1 766 . 1 . 1 139 139 ALA CB C 13 21.347 . . 1 . . . . . 139 A CB . 51159 1 767 . 1 . 1 139 139 ALA N N 15 113.748 . . 1 . . . . . 139 A N . 51159 1 768 . 1 . 1 140 140 ILE H H 1 8.717 . . 1 . . . . . 140 I H . 51159 1 769 . 1 . 1 140 140 ILE HA H 1 5.057 . . 1 . . . . . 140 I HA . 51159 1 770 . 1 . 1 140 140 ILE C C 13 170.753 . . 1 . . . . . 140 I C . 51159 1 771 . 1 . 1 140 140 ILE CA C 13 57.225 . . 1 . . . . . 140 I CA . 51159 1 772 . 1 . 1 140 140 ILE CB C 13 43.176 . . 1 . . . . . 140 I CB . 51159 1 773 . 1 . 1 140 140 ILE N N 15 118.368 . . 1 . . . . . 140 I N . 51159 1 774 . 1 . 1 141 141 GLY H H 1 8.311 . . 1 . . . . . 141 G H . 51159 1 775 . 1 . 1 141 141 GLY HA2 H 1 3.787 . . 2 . . . . . 141 G HA2 . 51159 1 776 . 1 . 1 141 141 GLY HA3 H 1 3.787 . . 2 . . . . . 141 G HA3 . 51159 1 777 . 1 . 1 141 141 GLY C C 13 171.143 . . 1 . . . . . 141 G C . 51159 1 778 . 1 . 1 141 141 GLY CA C 13 42.753 . . 1 . . . . . 141 G CA . 51159 1 779 . 1 . 1 141 141 GLY N N 15 115.43 . . 1 . . . . . 141 G N . 51159 1 780 . 1 . 1 142 142 PHE H H 1 8.238 . . 1 . . . . . 142 F H . 51159 1 781 . 1 . 1 142 142 PHE HA H 1 5.854 . . 1 . . . . . 142 F HA . 51159 1 782 . 1 . 1 142 142 PHE C C 13 174.365 . . 1 . . . . . 142 F C . 51159 1 783 . 1 . 1 142 142 PHE CA C 13 55.042 . . 1 . . . . . 142 F CA . 51159 1 784 . 1 . 1 142 142 PHE CB C 13 43.273 . . 1 . . . . . 142 F CB . 51159 1 785 . 1 . 1 142 142 PHE N N 15 114.224 . . 1 . . . . . 142 F N . 51159 1 786 . 1 . 1 143 143 TYR H H 1 7.915 . . 1 . . . . . 143 Y H . 51159 1 787 . 1 . 1 143 143 TYR HA H 1 5.88 . . 1 . . . . . 143 Y HA . 51159 1 788 . 1 . 1 143 143 TYR C C 13 176.789 . . 1 . . . . . 143 Y C . 51159 1 789 . 1 . 1 143 143 TYR CA C 13 56.777 . . 1 . . . . . 143 Y CA . 51159 1 790 . 1 . 1 143 143 TYR CB C 13 40.756 . . 1 . . . . . 143 Y CB . 51159 1 791 . 1 . 1 143 143 TYR N N 15 119.091 . . 1 . . . . . 143 Y N . 51159 1 792 . 1 . 1 144 144 ILE H H 1 9.589 . . 1 . . . . . 144 I H . 51159 1 793 . 1 . 1 144 144 ILE HA H 1 5.138 . . 1 . . . . . 144 I HA . 51159 1 794 . 1 . 1 144 144 ILE C C 13 174.703 . . 1 . . . . . 144 I C . 51159 1 795 . 1 . 1 144 144 ILE CA C 13 59.895 . . 1 . . . . . 144 I CA . 51159 1 796 . 1 . 1 144 144 ILE CB C 13 40.384 . . 1 . . . . . 144 I CB . 51159 1 797 . 1 . 1 144 144 ILE N N 15 123.244 . . 1 . . . . . 144 I N . 51159 1 798 . 1 . 1 145 145 THR H H 1 8.796 . . 1 . . . . . 145 T H . 51159 1 799 . 1 . 1 145 145 THR C C 13 171.243 . . 1 . . . . . 145 T C . 51159 1 800 . 1 . 1 145 145 THR CA C 13 56.809 . . 1 . . . . . 145 T CA . 51159 1 801 . 1 . 1 145 145 THR CB C 13 69.131 . . 1 . . . . . 145 T CB . 51159 1 802 . 1 . 1 145 145 THR N N 15 117.163 . . 1 . . . . . 145 T N . 51159 1 stop_ save_