data_52088 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52088 _Entry.Title ; PH domain of Akt-like kinase in Trypanosoma cruzi ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-08-21 _Entry.Accession_date 2023-08-21 _Entry.Last_release_date 2023-08-21 _Entry.Original_release_date 2023-08-21 _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 Karina Stadler . A. . 0000-0001-5072-0602 52088 2 Lesly Ortiz-Joya . J. . 0000-0003-1011-5971 52088 3 Klaus Zangger . . . 0000-0003-1682-1594 52088 4 Nina Gubensak . K. . 0000-0002-0415-4299 52088 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Graz' . 52088 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52088 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 364 52088 '15N chemical shifts' 86 52088 '1H chemical shifts' 402 52088 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2024-08-28 . original BMRB . 52088 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8OZZ . 52088 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52088 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38693166 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural investigation of Trypanosoma cruzi Akt-like kinase as drug target against Chagas disease ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full 'Scientific reports' _Citation.Journal_volume 14 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2045-2322 _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 10039 _Citation.Page_last 10039 _Citation.Year 2024 _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 Karina Stadler . A. . . 52088 1 2 Lesly Ortiz-Joya . J. . . 52088 1 3 Amit 'Singh Sahrawat' . . . . 52088 1 4 Christoph Buhlheller . . . . 52088 1 5 Karl Gruber . . . . 52088 1 6 Tea Pavkov-Keller . . . . 52088 1 7 Treasa O'Hagan . B. . . 52088 1 8 Alba Guarne . . . . 52088 1 9 Sergio Pulido . . . . 52088 1 10 Marcel Marin-Villa . . . . 52088 1 11 Klaus Zangger . . . . 52088 1 12 Nina Gubensak . . . . 52088 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52088 _Assembly.ID 1 _Assembly.Name 'PH domain of Akt-like kinase' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'PH domain of Akt-like kinase' 1 $entity_1 . . yes native no no . . . 52088 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52088 _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 ; MGSVEYSGYLQKTGGKFYKK NQTRYFELRGPMLCYWKRRP SGPHVSPTGTIDLTNARFVE NPKDPRSWTIEGDHLSKTFT LTADTEEQREAWVREMSKVK PENREQLEHHHHHH ; _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 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 Q4D6D3 . . . . . . . . . . . . . . . . 52088 1 2 yes GB XP_809943.1 . . . . . . . . . . . . . . . . 52088 1 3 yes NCBI Tc00.1047053509047.110 . . . . . . . . . . . . . . . . 52088 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 . 52088 1 2 . GLY . 52088 1 3 . SER . 52088 1 4 . VAL . 52088 1 5 . GLU . 52088 1 6 . TYR . 52088 1 7 . SER . 52088 1 8 . GLY . 52088 1 9 . TYR . 52088 1 10 . LEU . 52088 1 11 . GLN . 52088 1 12 . LYS . 52088 1 13 . THR . 52088 1 14 . GLY . 52088 1 15 . GLY . 52088 1 16 . LYS . 52088 1 17 . PHE . 52088 1 18 . TYR . 52088 1 19 . LYS . 52088 1 20 . LYS . 52088 1 21 . ASN . 52088 1 22 . GLN . 52088 1 23 . THR . 52088 1 24 . ARG . 52088 1 25 . TYR . 52088 1 26 . PHE . 52088 1 27 . GLU . 52088 1 28 . LEU . 52088 1 29 . ARG . 52088 1 30 . GLY . 52088 1 31 . PRO . 52088 1 32 . MET . 52088 1 33 . LEU . 52088 1 34 . CYS . 52088 1 35 . TYR . 52088 1 36 . TRP . 52088 1 37 . LYS . 52088 1 38 . ARG . 52088 1 39 . ARG . 52088 1 40 . PRO . 52088 1 41 . SER . 52088 1 42 . GLY . 52088 1 43 . PRO . 52088 1 44 . HIS . 52088 1 45 . VAL . 52088 1 46 . SER . 52088 1 47 . PRO . 52088 1 48 . THR . 52088 1 49 . GLY . 52088 1 50 . THR . 52088 1 51 . ILE . 52088 1 52 . ASP . 52088 1 53 . LEU . 52088 1 54 . THR . 52088 1 55 . ASN . 52088 1 56 . ALA . 52088 1 57 . ARG . 52088 1 58 . PHE . 52088 1 59 . VAL . 52088 1 60 . GLU . 52088 1 61 . ASN . 52088 1 62 . PRO . 52088 1 63 . LYS . 52088 1 64 . ASP . 52088 1 65 . PRO . 52088 1 66 . ARG . 52088 1 67 . SER . 52088 1 68 . TRP . 52088 1 69 . THR . 52088 1 70 . ILE . 52088 1 71 . GLU . 52088 1 72 . GLY . 52088 1 73 . ASP . 52088 1 74 . HIS . 52088 1 75 . LEU . 52088 1 76 . SER . 52088 1 77 . LYS . 52088 1 78 . THR . 52088 1 79 . PHE . 52088 1 80 . THR . 52088 1 81 . LEU . 52088 1 82 . THR . 52088 1 83 . ALA . 52088 1 84 . ASP . 52088 1 85 . THR . 52088 1 86 . GLU . 52088 1 87 . GLU . 52088 1 88 . GLN . 52088 1 89 . ARG . 52088 1 90 . GLU . 52088 1 91 . ALA . 52088 1 92 . TRP . 52088 1 93 . VAL . 52088 1 94 . ARG . 52088 1 95 . GLU . 52088 1 96 . MET . 52088 1 97 . SER . 52088 1 98 . LYS . 52088 1 99 . VAL . 52088 1 100 . LYS . 52088 1 101 . PRO . 52088 1 102 . GLU . 52088 1 103 . ASN . 52088 1 104 . ARG . 52088 1 105 . GLU . 52088 1 106 . GLN . 52088 1 107 . LEU . 52088 1 108 . GLU . 52088 1 109 . HIS . 52088 1 110 . HIS . 52088 1 111 . HIS . 52088 1 112 . HIS . 52088 1 113 . HIS . 52088 1 114 . HIS . 52088 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 52088 1 . GLY 2 2 52088 1 . SER 3 3 52088 1 . VAL 4 4 52088 1 . GLU 5 5 52088 1 . TYR 6 6 52088 1 . SER 7 7 52088 1 . GLY 8 8 52088 1 . TYR 9 9 52088 1 . LEU 10 10 52088 1 . GLN 11 11 52088 1 . LYS 12 12 52088 1 . THR 13 13 52088 1 . GLY 14 14 52088 1 . GLY 15 15 52088 1 . LYS 16 16 52088 1 . PHE 17 17 52088 1 . TYR 18 18 52088 1 . LYS 19 19 52088 1 . LYS 20 20 52088 1 . ASN 21 21 52088 1 . GLN 22 22 52088 1 . THR 23 23 52088 1 . ARG 24 24 52088 1 . TYR 25 25 52088 1 . PHE 26 26 52088 1 . GLU 27 27 52088 1 . LEU 28 28 52088 1 . ARG 29 29 52088 1 . GLY 30 30 52088 1 . PRO 31 31 52088 1 . MET 32 32 52088 1 . LEU 33 33 52088 1 . CYS 34 34 52088 1 . TYR 35 35 52088 1 . TRP 36 36 52088 1 . LYS 37 37 52088 1 . ARG 38 38 52088 1 . ARG 39 39 52088 1 . PRO 40 40 52088 1 . SER 41 41 52088 1 . GLY 42 42 52088 1 . PRO 43 43 52088 1 . HIS 44 44 52088 1 . VAL 45 45 52088 1 . SER 46 46 52088 1 . PRO 47 47 52088 1 . THR 48 48 52088 1 . GLY 49 49 52088 1 . THR 50 50 52088 1 . ILE 51 51 52088 1 . ASP 52 52 52088 1 . LEU 53 53 52088 1 . THR 54 54 52088 1 . ASN 55 55 52088 1 . ALA 56 56 52088 1 . ARG 57 57 52088 1 . PHE 58 58 52088 1 . VAL 59 59 52088 1 . GLU 60 60 52088 1 . ASN 61 61 52088 1 . PRO 62 62 52088 1 . LYS 63 63 52088 1 . ASP 64 64 52088 1 . PRO 65 65 52088 1 . ARG 66 66 52088 1 . SER 67 67 52088 1 . TRP 68 68 52088 1 . THR 69 69 52088 1 . ILE 70 70 52088 1 . GLU 71 71 52088 1 . GLY 72 72 52088 1 . ASP 73 73 52088 1 . HIS 74 74 52088 1 . LEU 75 75 52088 1 . SER 76 76 52088 1 . LYS 77 77 52088 1 . THR 78 78 52088 1 . PHE 79 79 52088 1 . THR 80 80 52088 1 . LEU 81 81 52088 1 . THR 82 82 52088 1 . ALA 83 83 52088 1 . ASP 84 84 52088 1 . THR 85 85 52088 1 . GLU 86 86 52088 1 . GLU 87 87 52088 1 . GLN 88 88 52088 1 . ARG 89 89 52088 1 . GLU 90 90 52088 1 . ALA 91 91 52088 1 . TRP 92 92 52088 1 . VAL 93 93 52088 1 . ARG 94 94 52088 1 . GLU 95 95 52088 1 . MET 96 96 52088 1 . SER 97 97 52088 1 . LYS 98 98 52088 1 . VAL 99 99 52088 1 . LYS 100 100 52088 1 . PRO 101 101 52088 1 . GLU 102 102 52088 1 . ASN 103 103 52088 1 . ARG 104 104 52088 1 . GLU 105 105 52088 1 . GLN 106 106 52088 1 . LEU 107 107 52088 1 . GLU 108 108 52088 1 . HIS 109 109 52088 1 . HIS 110 110 52088 1 . HIS 111 111 52088 1 . HIS 112 112 52088 1 . HIS 113 113 52088 1 . HIS 114 114 52088 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 52088 _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 . 5693 organism . 'Trypanosoma cruzi' 'Trypanosoma cruzi' . . Eukaryota . Trypanosoma cruzi 'CL Brener' . . . . . . . . . . Tc00.1047053509047.110 . 52088 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 52088 _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 BL21(DE3) . . plasmid . . pET-28a(+) . . . 52088 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52088 _Sample.ID 1 _Sample.Name 'TcAkt-PH in 100% D2O' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 'TcAkt-PH protein' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.46 . . mM . . . . 52088 1 2 'KPi pH 6.5' 'natural abundance' . . . . . . 50 . . mM . . . . 52088 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 52088 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 52088 _Sample.ID 2 _Sample.Name 'TcAkt-PH in 90% H2O/10% D2O' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _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 'TcAkt-PH protein' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 52088 2 2 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 52088 2 3 'KPi pH 6.5' 'natural abundance' . . . . . . 50 . . mM . . . . 52088 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 52088 _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' 100.08 . mM 52088 1 pH 6.5 . pH 52088 1 pressure 1 . atm 52088 1 temperature 298 . K 52088 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52088 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4.2. _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52088 1 'data analysis' . 52088 1 'peak picking' . 52088 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52088 _Software.ID 2 _Software.Type . _Software.Name CS-Rosetta _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 52088 2 'structure solution' . 52088 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52088 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52088 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 52088 _Software.ID 4 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5. _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52088 4 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 52088 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Avance III 700 MHz' _NMR_spectrometer.Details 'TCI Cryo Probe 5 mm' _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 52088 _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 HNCA' no yes . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52088 1 2 '3D HNCO' no yes . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52088 1 3 '3D HN(CO)CA' no yes . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52088 1 4 '3D HN(CA)CO' no yes . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52088 1 5 '3D HN(COCA)CB' no yes . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52088 1 6 '3D HNCACB' no yes . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52088 1 7 '3D H(CCO)NH' no yes . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52088 1 8 '3D HCCH-TOCSY' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52088 1 9 '3D 1H-13C NOESY' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52088 1 10 '2D 1H-13C HSQC' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52088 1 11 '3D 1H-15N NOESY' no no . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52088 1 12 '2D 1H-15N HSQC' no no . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52088 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 52088 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Set 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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.76 internal indirect . . . . . . 52088 1 H 1 water protons . . . . ppm 4.76 internal direct 1 . . . . . 52088 1 N 15 water protons . . . . ppm 4.76 internal indirect . . . . . . 52088 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 52088 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'TcAkt-PH shiftlist' _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 HNCA' . . . 52088 1 2 '3D HNCO' . . . 52088 1 3 '3D HN(CO)CA' . . . 52088 1 4 '3D HN(CA)CO' . . . 52088 1 5 '3D HN(COCA)CB' . . . 52088 1 6 '3D HNCACB' . . . 52088 1 7 '3D H(CCO)NH' . . . 52088 1 8 '3D HCCH-TOCSY' . . . 52088 1 9 '3D 1H-13C NOESY' . . . 52088 1 10 '2D 1H-13C HSQC' . . . 52088 1 11 '3D 1H-15N NOESY' . . . 52088 1 12 '2D 1H-15N HSQC' . . . 52088 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 . . 52088 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 3 3 SER C C 13 173.827 . . . . . . . . 3 SER C . 52088 1 2 . 1 . 1 3 3 SER CA C 13 58.398 . . . . . . . . 3 SER CA . 52088 1 3 . 1 . 1 3 3 SER CB C 13 64.076 . . . . . . . . 3 SER CB . 52088 1 4 . 1 . 1 4 4 VAL H H 1 8.15 . . . . . . . . 4 VAL HN . 52088 1 5 . 1 . 1 4 4 VAL HA H 1 4.34 . . . . . . . . 4 VAL HA . 52088 1 6 . 1 . 1 4 4 VAL HB H 1 2.027 . . . . . . . . 4 VAL HB . 52088 1 7 . 1 . 1 4 4 VAL HG11 H 1 0.871 . . . . . . . . 4 VAL HG11 . 52088 1 8 . 1 . 1 4 4 VAL HG12 H 1 0.871 . . . . . . . . 4 VAL HG12 . 52088 1 9 . 1 . 1 4 4 VAL HG13 H 1 0.871 . . . . . . . . 4 VAL HG13 . 52088 1 10 . 1 . 1 4 4 VAL HG21 H 1 0.907 . . . . . . . . 4 VAL HG21 . 52088 1 11 . 1 . 1 4 4 VAL HG22 H 1 0.907 . . . . . . . . 4 VAL HG22 . 52088 1 12 . 1 . 1 4 4 VAL HG23 H 1 0.907 . . . . . . . . 4 VAL HG23 . 52088 1 13 . 1 . 1 4 4 VAL C C 13 176.109 . . . . . . . . 4 VAL C . 52088 1 14 . 1 . 1 4 4 VAL CA C 13 62.104 . . . . . . . . 4 VAL CA . 52088 1 15 . 1 . 1 4 4 VAL CB C 13 33.036 . . . . . . . . 4 VAL CB . 52088 1 16 . 1 . 1 4 4 VAL CG1 C 13 21.398 . . . . . . . . 4 VAL CG1 . 52088 1 17 . 1 . 1 4 4 VAL CG2 C 13 21.161 . . . . . . . . 4 VAL CG2 . 52088 1 18 . 1 . 1 4 4 VAL N N 15 121.654 . . . . . . . . 4 VAL N . 52088 1 19 . 1 . 1 5 5 GLU H H 1 8.855 . . . . . . . . 5 GLU HN . 52088 1 20 . 1 . 1 5 5 GLU C C 13 176.085 . . . . . . . . 5 GLU C . 52088 1 21 . 1 . 1 5 5 GLU CA C 13 58.078 . . . . . . . . 5 GLU CA . 52088 1 22 . 1 . 1 5 5 GLU CB C 13 30.609 . . . . . . . . 5 GLU CB . 52088 1 23 . 1 . 1 5 5 GLU N N 15 127.039 . . . . . . . . 5 GLU N . 52088 1 24 . 1 . 1 6 6 TYR H H 1 7.831 . . . . . . . . 6 TYR HN . 52088 1 25 . 1 . 1 6 6 TYR C C 13 172.82 . . . . . . . . 6 TYR C . 52088 1 26 . 1 . 1 6 6 TYR CA C 13 59.493 . . . . . . . . 6 TYR CA . 52088 1 27 . 1 . 1 6 6 TYR CB C 13 40.734 . . . . . . . . 6 TYR CB . 52088 1 28 . 1 . 1 6 6 TYR N N 15 120.022 . . . . . . . . 6 TYR N . 52088 1 29 . 1 . 1 7 7 SER H H 1 6.797 . . . . . . . . 7 SER HN . 52088 1 30 . 1 . 1 7 7 SER HA H 1 5.502 . . . . . . . . 7 SER HA . 52088 1 31 . 1 . 1 7 7 SER HB2 H 1 3.882 . . . . . . . . 7 SER HB1 . 52088 1 32 . 1 . 1 7 7 SER HB3 H 1 4.06 . . . . . . . . 7 SER HB2 . 52088 1 33 . 1 . 1 7 7 SER C C 13 172.606 . . . . . . . . 7 SER C . 52088 1 34 . 1 . 1 7 7 SER CA C 13 57.11 . . . . . . . . 7 SER CA . 52088 1 35 . 1 . 1 7 7 SER CB C 13 67.176 . . . . . . . . 7 SER CB . 52088 1 36 . 1 . 1 7 7 SER N N 15 116.169 . . . . . . . . 7 SER N . 52088 1 37 . 1 . 1 8 8 GLY H H 1 8.524 . . . . . . . . 8 GLY HN . 52088 1 38 . 1 . 1 8 8 GLY HA2 H 1 4.059 . . . . . . . . 8 GLY HA1 . 52088 1 39 . 1 . 1 8 8 GLY HA3 H 1 4.926 . . . . . . . . 8 GLY HA2 . 52088 1 40 . 1 . 1 8 8 GLY C C 13 171.702 . . . . . . . . 8 GLY C . 52088 1 41 . 1 . 1 8 8 GLY CA C 13 44.943 . . . . . . . . 8 GLY CA . 52088 1 42 . 1 . 1 8 8 GLY N N 15 105.343 . . . . . . . . 8 GLY N . 52088 1 43 . 1 . 1 9 9 TYR H H 1 9.001 . . . . . . . . 9 TYR HN . 52088 1 44 . 1 . 1 9 9 TYR HA H 1 5.667 . . . . . . . . 9 TYR HA . 52088 1 45 . 1 . 1 9 9 TYR HB2 H 1 3.009 . . . . . . . . 9 TYR HB2 . 52088 1 46 . 1 . 1 9 9 TYR C C 13 177.016 . . . . . . . . 9 TYR C . 52088 1 47 . 1 . 1 9 9 TYR CA C 13 58.648 . . . . . . . . 9 TYR CA . 52088 1 48 . 1 . 1 9 9 TYR CB C 13 39.989 . . . . . . . . 9 TYR CB . 52088 1 49 . 1 . 1 9 9 TYR N N 15 118.509 . . . . . . . . 9 TYR N . 52088 1 50 . 1 . 1 10 10 LEU H H 1 9.08 . . . . . . . . 10 LEU HN . 52088 1 51 . 1 . 1 10 10 LEU HA H 1 4.786 . . . . . . . . 10 LEU HA . 52088 1 52 . 1 . 1 10 10 LEU HB2 H 1 0.711 . . . . . . . . 10 LEU HB1 . 52088 1 53 . 1 . 1 10 10 LEU HB3 H 1 1.292 . . . . . . . . 10 LEU HB2 . 52088 1 54 . 1 . 1 10 10 LEU HG H 1 1.004 . . . . . . . . 10 LEU HG . 52088 1 55 . 1 . 1 10 10 LEU HD11 H 1 -1.031 . . . . . . . . 10 LEU HD11 . 52088 1 56 . 1 . 1 10 10 LEU HD12 H 1 -1.031 . . . . . . . . 10 LEU HD12 . 52088 1 57 . 1 . 1 10 10 LEU HD13 H 1 -1.031 . . . . . . . . 10 LEU HD13 . 52088 1 58 . 1 . 1 10 10 LEU HD21 H 1 0.787 . . . . . . . . 10 LEU HD21 . 52088 1 59 . 1 . 1 10 10 LEU HD22 H 1 0.787 . . . . . . . . 10 LEU HD22 . 52088 1 60 . 1 . 1 10 10 LEU HD23 H 1 0.787 . . . . . . . . 10 LEU HD23 . 52088 1 61 . 1 . 1 10 10 LEU C C 13 175.795 . . . . . . . . 10 LEU C . 52088 1 62 . 1 . 1 10 10 LEU CA C 13 53.853 . . . . . . . . 10 LEU CA . 52088 1 63 . 1 . 1 10 10 LEU CB C 13 47.883 . . . . . . . . 10 LEU CB . 52088 1 64 . 1 . 1 10 10 LEU CG C 13 23.957 . . . . . . . . 10 LEU CG . 52088 1 65 . 1 . 1 10 10 LEU CD1 C 13 23.961 . . . . . . . . 10 LEU CD1 . 52088 1 66 . 1 . 1 10 10 LEU CD2 C 13 24.005 . . . . . . . . 10 LEU CD2 . 52088 1 67 . 1 . 1 10 10 LEU N N 15 121.102 . . . . . . . . 10 LEU N . 52088 1 68 . 1 . 1 11 11 GLN H H 1 8.03 . . . . . . . . 11 GLN HN . 52088 1 69 . 1 . 1 11 11 GLN C C 13 174.974 . . . . . . . . 11 GLN C . 52088 1 70 . 1 . 1 11 11 GLN CA C 13 54.864 . . . . . . . . 11 GLN CA . 52088 1 71 . 1 . 1 11 11 GLN CB C 13 30.776 . . . . . . . . 11 GLN CB . 52088 1 72 . 1 . 1 11 11 GLN N N 15 117.232 . . . . . . . . 11 GLN N . 52088 1 73 . 1 . 1 12 12 LYS C C 13 173.756 . . . . . . . . 12 LYS C . 52088 1 74 . 1 . 1 13 13 THR H H 1 8.325 . . . . . . . . 13 THR HN . 52088 1 75 . 1 . 1 13 13 THR HA H 1 4.62 . . . . . . . . 13 THR HA . 52088 1 76 . 1 . 1 13 13 THR HB H 1 4.017 . . . . . . . . 13 THR HB . 52088 1 77 . 1 . 1 13 13 THR HG21 H 1 1.093 . . . . . . . . 13 THR HG21 . 52088 1 78 . 1 . 1 13 13 THR HG22 H 1 1.093 . . . . . . . . 13 THR HG22 . 52088 1 79 . 1 . 1 13 13 THR HG23 H 1 1.093 . . . . . . . . 13 THR HG23 . 52088 1 80 . 1 . 1 13 13 THR C C 13 174.197 . . . . . . . . 13 THR C . 52088 1 81 . 1 . 1 13 13 THR CA C 13 61.665 . . . . . . . . 13 THR CA . 52088 1 82 . 1 . 1 13 13 THR CB C 13 70.298 . . . . . . . . 13 THR CB . 52088 1 83 . 1 . 1 13 13 THR CG2 C 13 21.758 . . . . . . . . 13 THR CG2 . 52088 1 84 . 1 . 1 13 13 THR N N 15 120.408 . . . . . . . . 13 THR N . 52088 1 85 . 1 . 1 14 14 GLY H H 1 8.401 . . . . . . . . 14 GLY HN . 52088 1 86 . 1 . 1 14 14 GLY HA2 H 1 4.023 . . . . . . . . 14 GLY HA2 . 52088 1 87 . 1 . 1 14 14 GLY C C 13 173.868 . . . . . . . . 14 GLY C . 52088 1 88 . 1 . 1 14 14 GLY CA C 13 45.173 . . . . . . . . 14 GLY CA . 52088 1 89 . 1 . 1 14 14 GLY N N 15 111.885 . . . . . . . . 14 GLY N . 52088 1 90 . 1 . 1 15 15 GLY H H 1 8.238 . . . . . . . . 15 GLY HN . 52088 1 91 . 1 . 1 15 15 GLY C C 13 174.18 . . . . . . . . 15 GLY C . 52088 1 92 . 1 . 1 15 15 GLY CA C 13 44.987 . . . . . . . . 15 GLY CA . 52088 1 93 . 1 . 1 15 15 GLY N N 15 109.326 . . . . . . . . 15 GLY N . 52088 1 94 . 1 . 1 16 16 LYS C C 13 177.185 . . . . . . . . 16 LYS C . 52088 1 95 . 1 . 1 16 16 LYS CA C 13 60.189 . . . . . . . . 16 LYS CA . 52088 1 96 . 1 . 1 16 16 LYS CB C 13 32.683 . . . . . . . . 16 LYS CB . 52088 1 97 . 1 . 1 17 17 PHE H H 1 8.142 . . . . . . . . 17 PHE HN . 52088 1 98 . 1 . 1 17 17 PHE C C 13 175.185 . . . . . . . . 17 PHE C . 52088 1 99 . 1 . 1 17 17 PHE CA C 13 57.571 . . . . . . . . 17 PHE CA . 52088 1 100 . 1 . 1 17 17 PHE CB C 13 39.172 . . . . . . . . 17 PHE CB . 52088 1 101 . 1 . 1 17 17 PHE N N 15 118.037 . . . . . . . . 17 PHE N . 52088 1 102 . 1 . 1 18 18 TYR H H 1 7.828 . . . . . . . . 18 TYR HN . 52088 1 103 . 1 . 1 18 18 TYR C C 13 175.245 . . . . . . . . 18 TYR C . 52088 1 104 . 1 . 1 18 18 TYR CA C 13 58.165 . . . . . . . . 18 TYR CA . 52088 1 105 . 1 . 1 18 18 TYR CB C 13 38.324 . . . . . . . . 18 TYR CB . 52088 1 106 . 1 . 1 18 18 TYR N N 15 120.148 . . . . . . . . 18 TYR N . 52088 1 107 . 1 . 1 20 20 LYS C C 13 175.102 . . . . . . . . 20 LYS C . 52088 1 108 . 1 . 1 20 20 LYS CA C 13 55.909 . . . . . . . . 20 LYS CA . 52088 1 109 . 1 . 1 20 20 LYS CB C 13 29.916 . . . . . . . . 20 LYS CB . 52088 1 110 . 1 . 1 21 21 ASN H H 1 8.49 . . . . . . . . 21 ASN HN . 52088 1 111 . 1 . 1 21 21 ASN HA H 1 4.72 . . . . . . . . 21 ASN HA . 52088 1 112 . 1 . 1 21 21 ASN HB2 H 1 2.698 . . . . . . . . 21 ASN HB2 . 52088 1 113 . 1 . 1 21 21 ASN C C 13 175.102 . . . . . . . . 21 ASN C . 52088 1 114 . 1 . 1 21 21 ASN CA C 13 53.401 . . . . . . . . 21 ASN CA . 52088 1 115 . 1 . 1 21 21 ASN CB C 13 38.798 . . . . . . . . 21 ASN CB . 52088 1 116 . 1 . 1 21 21 ASN N N 15 120.542 . . . . . . . . 21 ASN N . 52088 1 117 . 1 . 1 22 22 GLN H H 1 8.468 . . . . . . . . 22 GLN HN . 52088 1 118 . 1 . 1 22 22 GLN C C 13 175.555 . . . . . . . . 22 GLN C . 52088 1 119 . 1 . 1 22 22 GLN CA C 13 54.807 . . . . . . . . 22 GLN CA . 52088 1 120 . 1 . 1 22 22 GLN CB C 13 31.177 . . . . . . . . 22 GLN CB . 52088 1 121 . 1 . 1 22 22 GLN N N 15 120.27 . . . . . . . . 22 GLN N . 52088 1 122 . 1 . 1 23 23 THR H H 1 8.801 . . . . . . . . 23 THR HN . 52088 1 123 . 1 . 1 23 23 THR HA H 1 4.725 . . . . . . . . 23 THR HA . 52088 1 124 . 1 . 1 23 23 THR HB H 1 4.126 . . . . . . . . 23 THR HB . 52088 1 125 . 1 . 1 23 23 THR HG21 H 1 1.331 . . . . . . . . 23 THR HG21 . 52088 1 126 . 1 . 1 23 23 THR HG22 H 1 1.331 . . . . . . . . 23 THR HG22 . 52088 1 127 . 1 . 1 23 23 THR HG23 H 1 1.331 . . . . . . . . 23 THR HG23 . 52088 1 128 . 1 . 1 23 23 THR C C 13 175.586 . . . . . . . . 23 THR C . 52088 1 129 . 1 . 1 23 23 THR CA C 13 63.763 . . . . . . . . 23 THR CA . 52088 1 130 . 1 . 1 23 23 THR CB C 13 69.334 . . . . . . . . 23 THR CB . 52088 1 131 . 1 . 1 23 23 THR CG2 C 13 22.461 . . . . . . . . 23 THR CG2 . 52088 1 132 . 1 . 1 23 23 THR N N 15 120.531 . . . . . . . . 23 THR N . 52088 1 133 . 1 . 1 24 24 ARG HA H 1 5.012 . . . . . . . . 24 ARG HA . 52088 1 134 . 1 . 1 24 24 ARG C C 13 172.771 . . . . . . . . 24 ARG C . 52088 1 135 . 1 . 1 24 24 ARG CA C 13 53.333 . . . . . . . . 24 ARG CA . 52088 1 136 . 1 . 1 24 24 ARG CB C 13 33.664 . . . . . . . . 24 ARG CB . 52088 1 137 . 1 . 1 25 25 TYR H H 1 8.337 . . . . . . . . 25 TYR HN . 52088 1 138 . 1 . 1 25 25 TYR HA H 1 4.439 . . . . . . . . 25 TYR HA . 52088 1 139 . 1 . 1 25 25 TYR C C 13 173.572 . . . . . . . . 25 TYR C . 52088 1 140 . 1 . 1 25 25 TYR CA C 13 57.806 . . . . . . . . 25 TYR CA . 52088 1 141 . 1 . 1 25 25 TYR CB C 13 40.163 . . . . . . . . 25 TYR CB . 52088 1 142 . 1 . 1 25 25 TYR N N 15 121.487 . . . . . . . . 25 TYR N . 52088 1 143 . 1 . 1 26 26 PHE H H 1 8.594 . . . . . . . . 26 PHE HN . 52088 1 144 . 1 . 1 26 26 PHE HA H 1 5.704 . . . . . . . . 26 PHE HA . 52088 1 145 . 1 . 1 26 26 PHE HB2 H 1 2.983 . . . . . . . . 26 PHE HB1 . 52088 1 146 . 1 . 1 26 26 PHE HB3 H 1 2.697 . . . . . . . . 26 PHE HB2 . 52088 1 147 . 1 . 1 26 26 PHE C C 13 175.258 . . . . . . . . 26 PHE C . 52088 1 148 . 1 . 1 26 26 PHE CA C 13 56.418 . . . . . . . . 26 PHE CA . 52088 1 149 . 1 . 1 26 26 PHE CB C 13 44.082 . . . . . . . . 26 PHE CB . 52088 1 150 . 1 . 1 26 26 PHE N N 15 125.507 . . . . . . . . 26 PHE N . 52088 1 151 . 1 . 1 27 27 GLU H H 1 9.171 . . . . . . . . 27 GLU HN . 52088 1 152 . 1 . 1 27 27 GLU HA H 1 5.061 . . . . . . . . 27 GLU HA . 52088 1 153 . 1 . 1 27 27 GLU HB2 H 1 2.134 . . . . . . . . 27 GLU HB1 . 52088 1 154 . 1 . 1 27 27 GLU HB3 H 1 2.134 . . . . . . . . 27 GLU HB2 . 52088 1 155 . 1 . 1 27 27 GLU HG2 H 1 2.36 . . . . . . . . 27 GLU HG1 . 52088 1 156 . 1 . 1 27 27 GLU HG3 H 1 2.539 . . . . . . . . 27 GLU HG2 . 52088 1 157 . 1 . 1 27 27 GLU C C 13 174.989 . . . . . . . . 27 GLU C . 52088 1 158 . 1 . 1 27 27 GLU CA C 13 55.878 . . . . . . . . 27 GLU CA . 52088 1 159 . 1 . 1 27 27 GLU CB C 13 35.233 . . . . . . . . 27 GLU CB . 52088 1 160 . 1 . 1 27 27 GLU CG C 13 36.729 . . . . . . . . 27 GLU CG . 52088 1 161 . 1 . 1 27 27 GLU N N 15 114.864 . . . . . . . . 27 GLU N . 52088 1 162 . 1 . 1 28 28 LEU H H 1 8.86 . . . . . . . . 28 LEU HN . 52088 1 163 . 1 . 1 28 28 LEU HA H 1 5.147 . . . . . . . . 28 LEU HA . 52088 1 164 . 1 . 1 28 28 LEU HB2 H 1 1.492 . . . . . . . . 28 LEU HB1 . 52088 1 165 . 1 . 1 28 28 LEU HB3 H 1 2.162 . . . . . . . . 28 LEU HB2 . 52088 1 166 . 1 . 1 28 28 LEU HG H 1 0.992 . . . . . . . . 28 LEU HG . 52088 1 167 . 1 . 1 28 28 LEU HD11 H 1 0.852 . . . . . . . . 28 LEU HD11 . 52088 1 168 . 1 . 1 28 28 LEU HD12 H 1 0.852 . . . . . . . . 28 LEU HD12 . 52088 1 169 . 1 . 1 28 28 LEU HD13 H 1 0.852 . . . . . . . . 28 LEU HD13 . 52088 1 170 . 1 . 1 28 28 LEU HD21 H 1 1.885 . . . . . . . . 28 LEU HD21 . 52088 1 171 . 1 . 1 28 28 LEU HD22 H 1 1.885 . . . . . . . . 28 LEU HD22 . 52088 1 172 . 1 . 1 28 28 LEU HD23 H 1 1.885 . . . . . . . . 28 LEU HD23 . 52088 1 173 . 1 . 1 28 28 LEU C C 13 174.638 . . . . . . . . 28 LEU C . 52088 1 174 . 1 . 1 28 28 LEU CA C 13 54.226 . . . . . . . . 28 LEU CA . 52088 1 175 . 1 . 1 28 28 LEU CB C 13 44.547 . . . . . . . . 28 LEU CB . 52088 1 176 . 1 . 1 28 28 LEU CG C 13 25.56 . . . . . . . . 28 LEU CG . 52088 1 177 . 1 . 1 28 28 LEU CD1 C 13 27.288 . . . . . . . . 28 LEU CD1 . 52088 1 178 . 1 . 1 28 28 LEU CD2 C 13 27.088 . . . . . . . . 28 LEU CD2 . 52088 1 179 . 1 . 1 28 28 LEU N N 15 126.13 . . . . . . . . 28 LEU N . 52088 1 180 . 1 . 1 29 29 ARG H H 1 9.01 . . . . . . . . 29 ARG HN . 52088 1 181 . 1 . 1 29 29 ARG HA H 1 5.036 . . . . . . . . 29 ARG HA . 52088 1 182 . 1 . 1 29 29 ARG C C 13 176.33 . . . . . . . . 29 ARG C . 52088 1 183 . 1 . 1 29 29 ARG CA C 13 54.226 . . . . . . . . 29 ARG CA . 52088 1 184 . 1 . 1 29 29 ARG CB C 13 31.4 . . . . . . . . 29 ARG CB . 52088 1 185 . 1 . 1 29 29 ARG N N 15 127.845 . . . . . . . . 29 ARG N . 52088 1 186 . 1 . 1 30 30 GLY H H 1 9.272 . . . . . . . . 30 GLY HN . 52088 1 187 . 1 . 1 30 30 GLY C C 13 172.188 . . . . . . . . 30 GLY C . 52088 1 188 . 1 . 1 30 30 GLY CA C 13 44.993 . . . . . . . . 30 GLY CA . 52088 1 189 . 1 . 1 30 30 GLY N N 15 119.503 . . . . . . . . 30 GLY N . 52088 1 190 . 1 . 1 31 31 PRO HA H 1 4.655 . . . . . . . . 31 PRO HA . 52088 1 191 . 1 . 1 31 31 PRO HB2 H 1 2.291 . . . . . . . . 31 PRO HB1 . 52088 1 192 . 1 . 1 31 31 PRO HB3 H 1 2.07 . . . . . . . . 31 PRO HB2 . 52088 1 193 . 1 . 1 31 31 PRO HG2 H 1 1.907 . . . . . . . . 31 PRO HG1 . 52088 1 194 . 1 . 1 31 31 PRO HG3 H 1 2.088 . . . . . . . . 31 PRO HG2 . 52088 1 195 . 1 . 1 31 31 PRO HD2 H 1 3.97 . . . . . . . . 31 PRO HD2 . 52088 1 196 . 1 . 1 31 31 PRO C C 13 174.182 . . . . . . . . 31 PRO C . 52088 1 197 . 1 . 1 31 31 PRO CA C 13 63.24 . . . . . . . . 31 PRO CA . 52088 1 198 . 1 . 1 31 31 PRO CB C 13 31.742 . . . . . . . . 31 PRO CB . 52088 1 199 . 1 . 1 31 31 PRO CG C 13 26.513 . . . . . . . . 31 PRO CG . 52088 1 200 . 1 . 1 31 31 PRO CD C 13 49.68 . . . . . . . . 31 PRO CD . 52088 1 201 . 1 . 1 32 32 MET H H 1 7.691 . . . . . . . . 32 MET HN . 52088 1 202 . 1 . 1 32 32 MET HA H 1 5.063 . . . . . . . . 32 MET HA . 52088 1 203 . 1 . 1 32 32 MET C C 13 174.166 . . . . . . . . 32 MET C . 52088 1 204 . 1 . 1 32 32 MET CA C 13 53.473 . . . . . . . . 32 MET CA . 52088 1 205 . 1 . 1 32 32 MET CB C 13 33.304 . . . . . . . . 32 MET CB . 52088 1 206 . 1 . 1 32 32 MET N N 15 117.403 . . . . . . . . 32 MET N . 52088 1 207 . 1 . 1 33 33 LEU H H 1 9.284 . . . . . . . . 33 LEU HN . 52088 1 208 . 1 . 1 33 33 LEU HA H 1 5.179 . . . . . . . . 33 LEU HA . 52088 1 209 . 1 . 1 33 33 LEU HB2 H 1 1.407 . . . . . . . . 33 LEU HB1 . 52088 1 210 . 1 . 1 33 33 LEU HB3 H 1 2.35 . . . . . . . . 33 LEU HB2 . 52088 1 211 . 1 . 1 33 33 LEU HG H 1 1.719 . . . . . . . . 33 LEU HG . 52088 1 212 . 1 . 1 33 33 LEU HD11 H 1 1.129 . . . . . . . . 33 LEU HD11 . 52088 1 213 . 1 . 1 33 33 LEU HD12 H 1 1.129 . . . . . . . . 33 LEU HD12 . 52088 1 214 . 1 . 1 33 33 LEU HD13 H 1 1.129 . . . . . . . . 33 LEU HD13 . 52088 1 215 . 1 . 1 33 33 LEU HD21 H 1 0.823 . . . . . . . . 33 LEU HD21 . 52088 1 216 . 1 . 1 33 33 LEU HD22 H 1 0.823 . . . . . . . . 33 LEU HD22 . 52088 1 217 . 1 . 1 33 33 LEU HD23 H 1 0.823 . . . . . . . . 33 LEU HD23 . 52088 1 218 . 1 . 1 33 33 LEU C C 13 175.107 . . . . . . . . 33 LEU C . 52088 1 219 . 1 . 1 33 33 LEU CA C 13 53.739 . . . . . . . . 33 LEU CA . 52088 1 220 . 1 . 1 33 33 LEU CB C 13 43.552 . . . . . . . . 33 LEU CB . 52088 1 221 . 1 . 1 33 33 LEU CG C 13 27.629 . . . . . . . . 33 LEU CG . 52088 1 222 . 1 . 1 33 33 LEU CD1 C 13 24.405 . . . . . . . . 33 LEU CD1 . 52088 1 223 . 1 . 1 33 33 LEU CD2 C 13 26.443 . . . . . . . . 33 LEU CD2 . 52088 1 224 . 1 . 1 33 33 LEU N N 15 127.344 . . . . . . . . 33 LEU N . 52088 1 225 . 1 . 1 34 34 CYS H H 1 9.21 . . . . . . . . 34 CYS HN . 52088 1 226 . 1 . 1 34 34 CYS HA H 1 4.911 . . . . . . . . 34 CYS HA . 52088 1 227 . 1 . 1 34 34 CYS HB2 H 1 1.972 . . . . . . . . 34 CYS HB1 . 52088 1 228 . 1 . 1 34 34 CYS HB3 H 1 2.947 . . . . . . . . 34 CYS HB2 . 52088 1 229 . 1 . 1 34 34 CYS C C 13 173.013 . . . . . . . . 34 CYS C . 52088 1 230 . 1 . 1 34 34 CYS CA C 13 57.294 . . . . . . . . 34 CYS CA . 52088 1 231 . 1 . 1 34 34 CYS CB C 13 31.162 . . . . . . . . 34 CYS CB . 52088 1 232 . 1 . 1 34 34 CYS N N 15 126.306 . . . . . . . . 34 CYS N . 52088 1 233 . 1 . 1 35 35 TYR H H 1 7.847 . . . . . . . . 35 TYR HN . 52088 1 234 . 1 . 1 35 35 TYR HA H 1 5.904 . . . . . . . . 35 TYR HA . 52088 1 235 . 1 . 1 35 35 TYR HB2 H 1 1.743 . . . . . . . . 35 TYR HB2 . 52088 1 236 . 1 . 1 35 35 TYR C C 13 173.02 . . . . . . . . 35 TYR C . 52088 1 237 . 1 . 1 35 35 TYR CA C 13 55.228 . . . . . . . . 35 TYR CA . 52088 1 238 . 1 . 1 35 35 TYR CB C 13 40.471 . . . . . . . . 35 TYR CB . 52088 1 239 . 1 . 1 35 35 TYR N N 15 116.25 . . . . . . . . 35 TYR N . 52088 1 240 . 1 . 1 36 36 TRP H H 1 9.361 . . . . . . . . 36 TRP HN . 52088 1 241 . 1 . 1 36 36 TRP HA H 1 5.027 . . . . . . . . 36 TRP HA . 52088 1 242 . 1 . 1 36 36 TRP HB2 H 1 3.102 . . . . . . . . 36 TRP HB1 . 52088 1 243 . 1 . 1 36 36 TRP HB3 H 1 3.647 . . . . . . . . 36 TRP HB2 . 52088 1 244 . 1 . 1 36 36 TRP C C 13 176.23 . . . . . . . . 36 TRP C . 52088 1 245 . 1 . 1 36 36 TRP CA C 13 56.99 . . . . . . . . 36 TRP CA . 52088 1 246 . 1 . 1 36 36 TRP CB C 13 36.87 . . . . . . . . 36 TRP CB . 52088 1 247 . 1 . 1 36 36 TRP N N 15 120.02 . . . . . . . . 36 TRP N . 52088 1 248 . 1 . 1 37 37 LYS HA H 1 4.23 . . . . . . . . 37 LYS HA . 52088 1 249 . 1 . 1 37 37 LYS HB2 H 1 2.007 . . . . . . . . 37 LYS HB1 . 52088 1 250 . 1 . 1 37 37 LYS HB3 H 1 2.007 . . . . . . . . 37 LYS HB2 . 52088 1 251 . 1 . 1 37 37 LYS HG2 H 1 1.433 . . . . . . . . 37 LYS HG1 . 52088 1 252 . 1 . 1 37 37 LYS HG3 H 1 1.683 . . . . . . . . 37 LYS HG2 . 52088 1 253 . 1 . 1 37 37 LYS C C 13 175.924 . . . . . . . . 37 LYS C . 52088 1 254 . 1 . 1 37 37 LYS CA C 13 60.206 . . . . . . . . 37 LYS CA . 52088 1 255 . 1 . 1 37 37 LYS CB C 13 32.665 . . . . . . . . 37 LYS CB . 52088 1 256 . 1 . 1 37 37 LYS CG C 13 26.206 . . . . . . . . 37 LYS CG . 52088 1 257 . 1 . 1 37 37 LYS CE C 13 41.931 . . . . . . . . 37 LYS CE . 52088 1 258 . 1 . 1 38 38 ARG H H 1 7.484 . . . . . . . . 38 ARG HN . 52088 1 259 . 1 . 1 38 38 ARG HA H 1 4.659 . . . . . . . . 38 ARG HA . 52088 1 260 . 1 . 1 38 38 ARG HB2 H 1 1.733 . . . . . . . . 38 ARG HB1 . 52088 1 261 . 1 . 1 38 38 ARG HB3 H 1 1.921 . . . . . . . . 38 ARG HB2 . 52088 1 262 . 1 . 1 38 38 ARG HE H 1 3.056 . . . . . . . . 38 ARG HE . 52088 1 263 . 1 . 1 38 38 ARG C C 13 174.194 . . . . . . . . 38 ARG C . 52088 1 264 . 1 . 1 38 38 ARG CA C 13 53.539 . . . . . . . . 38 ARG CA . 52088 1 265 . 1 . 1 38 38 ARG CB C 13 33.07 . . . . . . . . 38 ARG CB . 52088 1 266 . 1 . 1 38 38 ARG N N 15 111.786 . . . . . . . . 38 ARG N . 52088 1 267 . 1 . 1 39 39 ARG H H 1 8.067 . . . . . . . . 39 ARG HN . 52088 1 268 . 1 . 1 39 39 ARG HA H 1 3.051 . . . . . . . . 39 ARG HA . 52088 1 269 . 1 . 1 39 39 ARG HB2 H 1 0.882 . . . . . . . . 39 ARG HB1 . 52088 1 270 . 1 . 1 39 39 ARG HB3 H 1 1.287 . . . . . . . . 39 ARG HB2 . 52088 1 271 . 1 . 1 39 39 ARG CA C 13 54.907 . . . . . . . . 39 ARG CA . 52088 1 272 . 1 . 1 39 39 ARG CB C 13 30.104 . . . . . . . . 39 ARG CB . 52088 1 273 . 1 . 1 39 39 ARG N N 15 123.664 . . . . . . . . 39 ARG N . 52088 1 274 . 1 . 1 40 40 PRO HA H 1 4.243 . . . . . . . . 40 PRO HA . 52088 1 275 . 1 . 1 40 40 PRO HB2 H 1 1.656 . . . . . . . . 40 PRO HB2 . 52088 1 276 . 1 . 1 40 40 PRO HD2 H 1 2.495 . . . . . . . . 40 PRO HD1 . 52088 1 277 . 1 . 1 40 40 PRO HD3 H 1 2.566 . . . . . . . . 40 PRO HD2 . 52088 1 278 . 1 . 1 40 40 PRO C C 13 177.176 . . . . . . . . 40 PRO C . 52088 1 279 . 1 . 1 40 40 PRO CA C 13 62.194 . . . . . . . . 40 PRO CA . 52088 1 280 . 1 . 1 40 40 PRO CB C 13 32.681 . . . . . . . . 40 PRO CB . 52088 1 281 . 1 . 1 40 40 PRO CD C 13 51.304 . . . . . . . . 40 PRO CD . 52088 1 282 . 1 . 1 41 41 SER H H 1 8.463 . . . . . . . . 41 SER HN . 52088 1 283 . 1 . 1 41 41 SER C C 13 177.187 . . . . . . . . 41 SER C . 52088 1 284 . 1 . 1 41 41 SER CA C 13 59.003 . . . . . . . . 41 SER CA . 52088 1 285 . 1 . 1 41 41 SER CB C 13 63.282 . . . . . . . . 41 SER CB . 52088 1 286 . 1 . 1 41 41 SER N N 15 115.604 . . . . . . . . 41 SER N . 52088 1 287 . 1 . 1 42 42 GLY H H 1 7.05 . . . . . . . . 42 GLY HN . 52088 1 288 . 1 . 1 42 42 GLY C C 13 171.776 . . . . . . . . 42 GLY C . 52088 1 289 . 1 . 1 42 42 GLY CA C 13 44.937 . . . . . . . . 42 GLY CA . 52088 1 290 . 1 . 1 42 42 GLY N N 15 107.307 . . . . . . . . 42 GLY N . 52088 1 291 . 1 . 1 43 43 PRO HA H 1 4.457 . . . . . . . . 43 PRO HA . 52088 1 292 . 1 . 1 43 43 PRO HB2 H 1 2.225 . . . . . . . . 43 PRO HB1 . 52088 1 293 . 1 . 1 43 43 PRO HB3 H 1 1.844 . . . . . . . . 43 PRO HB2 . 52088 1 294 . 1 . 1 43 43 PRO HG2 H 1 1.761 . . . . . . . . 43 PRO HG1 . 52088 1 295 . 1 . 1 43 43 PRO HG3 H 1 1.989 . . . . . . . . 43 PRO HG2 . 52088 1 296 . 1 . 1 43 43 PRO HD2 H 1 3.512 . . . . . . . . 43 PRO HD1 . 52088 1 297 . 1 . 1 43 43 PRO HD3 H 1 3.702 . . . . . . . . 43 PRO HD2 . 52088 1 298 . 1 . 1 43 43 PRO C C 13 176.567 . . . . . . . . 43 PRO C . 52088 1 299 . 1 . 1 43 43 PRO CA C 13 63.653 . . . . . . . . 43 PRO CA . 52088 1 300 . 1 . 1 43 43 PRO CB C 13 32.038 . . . . . . . . 43 PRO CB . 52088 1 301 . 1 . 1 43 43 PRO CG C 13 26.466 . . . . . . . . 43 PRO CG . 52088 1 302 . 1 . 1 43 43 PRO CD C 13 49.787 . . . . . . . . 43 PRO CD . 52088 1 303 . 1 . 1 44 44 HIS H H 1 8.522 . . . . . . . . 44 HIS HN . 52088 1 304 . 1 . 1 44 44 HIS C C 13 174.961 . . . . . . . . 44 HIS C . 52088 1 305 . 1 . 1 44 44 HIS CA C 13 55.984 . . . . . . . . 44 HIS CA . 52088 1 306 . 1 . 1 44 44 HIS CB C 13 29.332 . . . . . . . . 44 HIS CB . 52088 1 307 . 1 . 1 44 44 HIS N N 15 117.04 . . . . . . . . 44 HIS N . 52088 1 308 . 1 . 1 45 45 VAL H H 1 7.062 . . . . . . . . 45 VAL HN . 52088 1 309 . 1 . 1 45 45 VAL HA H 1 4.046 . . . . . . . . 45 VAL HA . 52088 1 310 . 1 . 1 45 45 VAL HB H 1 1.984 . . . . . . . . 45 VAL HB . 52088 1 311 . 1 . 1 45 45 VAL HG11 H 1 1.146 . . . . . . . . 45 VAL HG11 . 52088 1 312 . 1 . 1 45 45 VAL HG12 H 1 1.146 . . . . . . . . 45 VAL HG12 . 52088 1 313 . 1 . 1 45 45 VAL HG13 H 1 1.146 . . . . . . . . 45 VAL HG13 . 52088 1 314 . 1 . 1 45 45 VAL HG21 H 1 0.701 . . . . . . . . 45 VAL HG21 . 52088 1 315 . 1 . 1 45 45 VAL HG22 H 1 0.701 . . . . . . . . 45 VAL HG22 . 52088 1 316 . 1 . 1 45 45 VAL HG23 H 1 0.701 . . . . . . . . 45 VAL HG23 . 52088 1 317 . 1 . 1 45 45 VAL C C 13 177.263 . . . . . . . . 45 VAL C . 52088 1 318 . 1 . 1 45 45 VAL CA C 13 62.306 . . . . . . . . 45 VAL CA . 52088 1 319 . 1 . 1 45 45 VAL CB C 13 31.864 . . . . . . . . 45 VAL CB . 52088 1 320 . 1 . 1 45 45 VAL CG1 C 13 20.454 . . . . . . . . 45 VAL CG1 . 52088 1 321 . 1 . 1 45 45 VAL CG2 C 13 20.454 . . . . . . . . 45 VAL CG2 . 52088 1 322 . 1 . 1 45 45 VAL N N 15 121.776 . . . . . . . . 45 VAL N . 52088 1 323 . 1 . 1 46 46 SER H H 1 9.058 . . . . . . . . 46 SER HN . 52088 1 324 . 1 . 1 46 46 SER C C 13 177.239 . . . . . . . . 46 SER C . 52088 1 325 . 1 . 1 46 46 SER CA C 13 58.192 . . . . . . . . 46 SER CA . 52088 1 326 . 1 . 1 46 46 SER CB C 13 62.478 . . . . . . . . 46 SER CB . 52088 1 327 . 1 . 1 46 46 SER N N 15 129.332 . . . . . . . . 46 SER N . 52088 1 328 . 1 . 1 47 47 PRO HA H 1 2.443 . . . . . . . . 47 PRO HA . 52088 1 329 . 1 . 1 47 47 PRO HB2 H 1 0.609 . . . . . . . . 47 PRO HB1 . 52088 1 330 . 1 . 1 47 47 PRO HB3 H 1 1.222 . . . . . . . . 47 PRO HB2 . 52088 1 331 . 1 . 1 47 47 PRO HG2 H 1 1.453 . . . . . . . . 47 PRO HG2 . 52088 1 332 . 1 . 1 47 47 PRO HD2 H 1 3.584 . . . . . . . . 47 PRO HD1 . 52088 1 333 . 1 . 1 47 47 PRO HD3 H 1 3.817 . . . . . . . . 47 PRO HD2 . 52088 1 334 . 1 . 1 47 47 PRO CA C 13 62.126 . . . . . . . . 47 PRO CA . 52088 1 335 . 1 . 1 47 47 PRO CB C 13 31.342 . . . . . . . . 47 PRO CB . 52088 1 336 . 1 . 1 47 47 PRO CG C 13 26.733 . . . . . . . . 47 PRO CG . 52088 1 337 . 1 . 1 47 47 PRO CD C 13 50.655 . . . . . . . . 47 PRO CD . 52088 1 338 . 1 . 1 48 48 THR H H 1 8.28 . . . . . . . . 48 THR HN . 52088 1 339 . 1 . 1 48 48 THR HA H 1 3.838 . . . . . . . . 48 THR HA . 52088 1 340 . 1 . 1 48 48 THR HB H 1 3.618 . . . . . . . . 48 THR HB . 52088 1 341 . 1 . 1 48 48 THR HG21 H 1 1.236 . . . . . . . . 48 THR HG21 . 52088 1 342 . 1 . 1 48 48 THR HG22 H 1 1.236 . . . . . . . . 48 THR HG22 . 52088 1 343 . 1 . 1 48 48 THR HG23 H 1 1.236 . . . . . . . . 48 THR HG23 . 52088 1 344 . 1 . 1 48 48 THR C C 13 174.645 . . . . . . . . 48 THR C . 52088 1 345 . 1 . 1 48 48 THR CA C 13 65.061 . . . . . . . . 48 THR CA . 52088 1 346 . 1 . 1 48 48 THR CB C 13 68.604 . . . . . . . . 48 THR CB . 52088 1 347 . 1 . 1 48 48 THR CG2 C 13 22.977 . . . . . . . . 48 THR CG2 . 52088 1 348 . 1 . 1 48 48 THR N N 15 120.734 . . . . . . . . 48 THR N . 52088 1 349 . 1 . 1 49 49 GLY H H 1 6.53 . . . . . . . . 49 GLY HN . 52088 1 350 . 1 . 1 49 49 GLY C C 13 170.152 . . . . . . . . 49 GLY C . 52088 1 351 . 1 . 1 49 49 GLY CA C 13 44.545 . . . . . . . . 49 GLY CA . 52088 1 352 . 1 . 1 49 49 GLY N N 15 106.058 . . . . . . . . 49 GLY N . 52088 1 353 . 1 . 1 50 50 THR H H 1 7.843 . . . . . . . . 50 THR HN . 52088 1 354 . 1 . 1 50 50 THR HA H 1 5.094 . . . . . . . . 50 THR HA . 52088 1 355 . 1 . 1 50 50 THR HB H 1 3.9 . . . . . . . . 50 THR HB . 52088 1 356 . 1 . 1 50 50 THR HG21 H 1 1.01 . . . . . . . . 50 THR HG21 . 52088 1 357 . 1 . 1 50 50 THR HG22 H 1 1.01 . . . . . . . . 50 THR HG22 . 52088 1 358 . 1 . 1 50 50 THR HG23 H 1 1.01 . . . . . . . . 50 THR HG23 . 52088 1 359 . 1 . 1 50 50 THR C C 13 173.357 . . . . . . . . 50 THR C . 52088 1 360 . 1 . 1 50 50 THR CA C 13 60.249 . . . . . . . . 50 THR CA . 52088 1 361 . 1 . 1 50 50 THR CB C 13 72.506 . . . . . . . . 50 THR CB . 52088 1 362 . 1 . 1 50 50 THR CG2 C 13 22.298 . . . . . . . . 50 THR CG2 . 52088 1 363 . 1 . 1 50 50 THR N N 15 110.529 . . . . . . . . 50 THR N . 52088 1 364 . 1 . 1 51 51 ILE H H 1 9.158 . . . . . . . . 51 ILE HN . 52088 1 365 . 1 . 1 51 51 ILE HA H 1 4.258 . . . . . . . . 51 ILE HA . 52088 1 366 . 1 . 1 51 51 ILE HB H 1 1.815 . . . . . . . . 51 ILE HB . 52088 1 367 . 1 . 1 51 51 ILE HG12 H 1 1.345 . . . . . . . . 51 ILE HG11 . 52088 1 368 . 1 . 1 51 51 ILE HG13 H 1 0.789 . . . . . . . . 51 ILE HG12 . 52088 1 369 . 1 . 1 51 51 ILE HG21 H 1 0.799 . . . . . . . . 51 ILE HG21 . 52088 1 370 . 1 . 1 51 51 ILE HG22 H 1 0.799 . . . . . . . . 51 ILE HG22 . 52088 1 371 . 1 . 1 51 51 ILE HG23 H 1 0.799 . . . . . . . . 51 ILE HG23 . 52088 1 372 . 1 . 1 51 51 ILE HD11 H 1 0.38 . . . . . . . . 51 ILE HD11 . 52088 1 373 . 1 . 1 51 51 ILE HD12 H 1 0.38 . . . . . . . . 51 ILE HD12 . 52088 1 374 . 1 . 1 51 51 ILE HD13 H 1 0.38 . . . . . . . . 51 ILE HD13 . 52088 1 375 . 1 . 1 51 51 ILE C C 13 173.8 . . . . . . . . 51 ILE C . 52088 1 376 . 1 . 1 51 51 ILE CA C 13 60.436 . . . . . . . . 51 ILE CA . 52088 1 377 . 1 . 1 51 51 ILE CB C 13 41.861 . . . . . . . . 51 ILE CB . 52088 1 378 . 1 . 1 51 51 ILE CG1 C 13 27.437 . . . . . . . . 51 ILE CG1 . 52088 1 379 . 1 . 1 51 51 ILE CG2 C 13 18.061 . . . . . . . . 51 ILE CG2 . 52088 1 380 . 1 . 1 51 51 ILE CD1 C 13 13.648 . . . . . . . . 51 ILE CD1 . 52088 1 381 . 1 . 1 51 51 ILE N N 15 123.723 . . . . . . . . 51 ILE N . 52088 1 382 . 1 . 1 52 52 ASP H H 1 8.593 . . . . . . . . 52 ASP HN . 52088 1 383 . 1 . 1 52 52 ASP HA H 1 4.984 . . . . . . . . 52 ASP HA . 52088 1 384 . 1 . 1 52 52 ASP C C 13 177.015 . . . . . . . . 52 ASP C . 52088 1 385 . 1 . 1 52 52 ASP CA C 13 53.861 . . . . . . . . 52 ASP CA . 52088 1 386 . 1 . 1 52 52 ASP CB C 13 41.137 . . . . . . . . 52 ASP CB . 52088 1 387 . 1 . 1 52 52 ASP N N 15 127.255 . . . . . . . . 52 ASP N . 52088 1 388 . 1 . 1 53 53 LEU H H 1 9.238 . . . . . . . . 53 LEU HN . 52088 1 389 . 1 . 1 53 53 LEU HA H 1 4.4 . . . . . . . . 53 LEU HA . 52088 1 390 . 1 . 1 53 53 LEU HB2 H 1 1.56 . . . . . . . . 53 LEU HB1 . 52088 1 391 . 1 . 1 53 53 LEU HB3 H 1 1.705 . . . . . . . . 53 LEU HB2 . 52088 1 392 . 1 . 1 53 53 LEU HG H 1 1.019 . . . . . . . . 53 LEU HG . 52088 1 393 . 1 . 1 53 53 LEU HD11 H 1 0.826 . . . . . . . . 53 LEU HD11 . 52088 1 394 . 1 . 1 53 53 LEU HD12 H 1 0.826 . . . . . . . . 53 LEU HD12 . 52088 1 395 . 1 . 1 53 53 LEU HD13 H 1 0.826 . . . . . . . . 53 LEU HD13 . 52088 1 396 . 1 . 1 53 53 LEU HD21 H 1 0.784 . . . . . . . . 53 LEU HD21 . 52088 1 397 . 1 . 1 53 53 LEU HD22 H 1 0.784 . . . . . . . . 53 LEU HD22 . 52088 1 398 . 1 . 1 53 53 LEU HD23 H 1 0.784 . . . . . . . . 53 LEU HD23 . 52088 1 399 . 1 . 1 53 53 LEU C C 13 177.67 . . . . . . . . 53 LEU C . 52088 1 400 . 1 . 1 53 53 LEU CA C 13 54.67 . . . . . . . . 53 LEU CA . 52088 1 401 . 1 . 1 53 53 LEU CB C 13 42.107 . . . . . . . . 53 LEU CB . 52088 1 402 . 1 . 1 53 53 LEU CG C 13 26.801 . . . . . . . . 53 LEU CG . 52088 1 403 . 1 . 1 53 53 LEU CD1 C 13 23.823 . . . . . . . . 53 LEU CD1 . 52088 1 404 . 1 . 1 53 53 LEU CD2 C 13 24.966 . . . . . . . . 53 LEU CD2 . 52088 1 405 . 1 . 1 53 53 LEU N N 15 125.939 . . . . . . . . 53 LEU N . 52088 1 406 . 1 . 1 54 54 THR HG21 H 1 1.15 . . . . . . . . 54 THR HG21 . 52088 1 407 . 1 . 1 54 54 THR HG22 H 1 1.15 . . . . . . . . 54 THR HG22 . 52088 1 408 . 1 . 1 54 54 THR HG23 H 1 1.15 . . . . . . . . 54 THR HG23 . 52088 1 409 . 1 . 1 54 54 THR CA C 13 61.547 . . . . . . . . 54 THR CA . 52088 1 410 . 1 . 1 54 54 THR CB C 13 70.079 . . . . . . . . 54 THR CB . 52088 1 411 . 1 . 1 54 54 THR CG2 C 13 21.741 . . . . . . . . 54 THR CG2 . 52088 1 412 . 1 . 1 55 55 ASN C C 13 174.33 . . . . . . . . 55 ASN C . 52088 1 413 . 1 . 1 55 55 ASN CA C 13 53.65 . . . . . . . . 55 ASN CA . 52088 1 414 . 1 . 1 56 56 ALA H H 1 7.567 . . . . . . . . 56 ALA HN . 52088 1 415 . 1 . 1 56 56 ALA HA H 1 4.66 . . . . . . . . 56 ALA HA . 52088 1 416 . 1 . 1 56 56 ALA HB1 H 1 1.249 . . . . . . . . 56 ALA HB1 . 52088 1 417 . 1 . 1 56 56 ALA HB2 H 1 1.249 . . . . . . . . 56 ALA HB2 . 52088 1 418 . 1 . 1 56 56 ALA HB3 H 1 1.249 . . . . . . . . 56 ALA HB3 . 52088 1 419 . 1 . 1 56 56 ALA C C 13 175.698 . . . . . . . . 56 ALA C . 52088 1 420 . 1 . 1 56 56 ALA CA C 13 51.559 . . . . . . . . 56 ALA CA . 52088 1 421 . 1 . 1 56 56 ALA CB C 13 20.935 . . . . . . . . 56 ALA CB . 52088 1 422 . 1 . 1 56 56 ALA N N 15 121.848 . . . . . . . . 56 ALA N . 52088 1 423 . 1 . 1 57 57 ARG H H 1 8.518 . . . . . . . . 57 ARG HN . 52088 1 424 . 1 . 1 57 57 ARG HA H 1 4.235 . . . . . . . . 57 ARG HA . 52088 1 425 . 1 . 1 57 57 ARG HB2 H 1 1.564 . . . . . . . . 57 ARG HB1 . 52088 1 426 . 1 . 1 57 57 ARG HB3 H 1 1.595 . . . . . . . . 57 ARG HB2 . 52088 1 427 . 1 . 1 57 57 ARG HG2 H 1 1.449 . . . . . . . . 57 ARG HG2 . 52088 1 428 . 1 . 1 57 57 ARG HD2 H 1 3.183 . . . . . . . . 57 ARG HD1 . 52088 1 429 . 1 . 1 57 57 ARG HD3 H 1 3.073 . . . . . . . . 57 ARG HD2 . 52088 1 430 . 1 . 1 57 57 ARG C C 13 173.809 . . . . . . . . 57 ARG C . 52088 1 431 . 1 . 1 57 57 ARG CA C 13 54.288 . . . . . . . . 57 ARG CA . 52088 1 432 . 1 . 1 57 57 ARG CB C 13 33.027 . . . . . . . . 57 ARG CB . 52088 1 433 . 1 . 1 57 57 ARG CG C 13 27.573 . . . . . . . . 57 ARG CG . 52088 1 434 . 1 . 1 57 57 ARG CD C 13 43.091 . . . . . . . . 57 ARG CD . 52088 1 435 . 1 . 1 57 57 ARG N N 15 118.391 . . . . . . . . 57 ARG N . 52088 1 436 . 1 . 1 58 58 PHE H H 1 8.267 . . . . . . . . 58 PHE HN . 52088 1 437 . 1 . 1 58 58 PHE HA H 1 5.573 . . . . . . . . 58 PHE HA . 52088 1 438 . 1 . 1 58 58 PHE HB2 H 1 2.914 . . . . . . . . 58 PHE HB1 . 52088 1 439 . 1 . 1 58 58 PHE HB3 H 1 3.012 . . . . . . . . 58 PHE HB2 . 52088 1 440 . 1 . 1 58 58 PHE C C 13 175.504 . . . . . . . . 58 PHE C . 52088 1 441 . 1 . 1 58 58 PHE CA C 13 55.35 . . . . . . . . 58 PHE CA . 52088 1 442 . 1 . 1 58 58 PHE CB C 13 40.129 . . . . . . . . 58 PHE CB . 52088 1 443 . 1 . 1 58 58 PHE N N 15 120.683 . . . . . . . . 58 PHE N . 52088 1 444 . 1 . 1 59 59 VAL H H 1 9.173 . . . . . . . . 59 VAL HN . 52088 1 445 . 1 . 1 59 59 VAL HA H 1 4.342 . . . . . . . . 59 VAL HA . 52088 1 446 . 1 . 1 59 59 VAL HB H 1 2.047 . . . . . . . . 59 VAL HB . 52088 1 447 . 1 . 1 59 59 VAL HG11 H 1 0.939 . . . . . . . . 59 VAL HG11 . 52088 1 448 . 1 . 1 59 59 VAL HG12 H 1 0.939 . . . . . . . . 59 VAL HG12 . 52088 1 449 . 1 . 1 59 59 VAL HG13 H 1 0.939 . . . . . . . . 59 VAL HG13 . 52088 1 450 . 1 . 1 59 59 VAL HG21 H 1 0.786 . . . . . . . . 59 VAL HG21 . 52088 1 451 . 1 . 1 59 59 VAL HG22 H 1 0.786 . . . . . . . . 59 VAL HG22 . 52088 1 452 . 1 . 1 59 59 VAL HG23 H 1 0.786 . . . . . . . . 59 VAL HG23 . 52088 1 453 . 1 . 1 59 59 VAL C C 13 176.589 . . . . . . . . 59 VAL C . 52088 1 454 . 1 . 1 59 59 VAL CA C 13 61.637 . . . . . . . . 59 VAL CA . 52088 1 455 . 1 . 1 59 59 VAL CB C 13 33.937 . . . . . . . . 59 VAL CB . 52088 1 456 . 1 . 1 59 59 VAL CG1 C 13 20.995 . . . . . . . . 59 VAL CG1 . 52088 1 457 . 1 . 1 59 59 VAL CG2 C 13 20.103 . . . . . . . . 59 VAL CG2 . 52088 1 458 . 1 . 1 59 59 VAL N N 15 124.963 . . . . . . . . 59 VAL N . 52088 1 459 . 1 . 1 60 60 GLU H H 1 9.225 . . . . . . . . 60 GLU HN . 52088 1 460 . 1 . 1 60 60 GLU C C 13 175.208 . . . . . . . . 60 GLU C . 52088 1 461 . 1 . 1 60 60 GLU CA C 13 57.384 . . . . . . . . 60 GLU CA . 52088 1 462 . 1 . 1 60 60 GLU CB C 13 30.054 . . . . . . . . 60 GLU CB . 52088 1 463 . 1 . 1 60 60 GLU N N 15 129.133 . . . . . . . . 60 GLU N . 52088 1 464 . 1 . 1 61 61 ASN H H 1 8.346 . . . . . . . . 61 ASN HN . 52088 1 465 . 1 . 1 61 61 ASN C C 13 175.028 . . . . . . . . 61 ASN C . 52088 1 466 . 1 . 1 61 61 ASN CA C 13 50.88 . . . . . . . . 61 ASN CA . 52088 1 467 . 1 . 1 61 61 ASN CB C 13 39.412 . . . . . . . . 61 ASN CB . 52088 1 468 . 1 . 1 61 61 ASN N N 15 123.293 . . . . . . . . 61 ASN N . 52088 1 469 . 1 . 1 62 62 PRO HA H 1 4.389 . . . . . . . . 62 PRO HA . 52088 1 470 . 1 . 1 62 62 PRO HB2 H 1 2.379 . . . . . . . . 62 PRO HB1 . 52088 1 471 . 1 . 1 62 62 PRO HB3 H 1 1.971 . . . . . . . . 62 PRO HB2 . 52088 1 472 . 1 . 1 62 62 PRO HG2 H 1 2.067 . . . . . . . . 62 PRO HG1 . 52088 1 473 . 1 . 1 62 62 PRO HG3 H 1 1.976 . . . . . . . . 62 PRO HG2 . 52088 1 474 . 1 . 1 62 62 PRO HD2 H 1 4.064 . . . . . . . . 62 PRO HD1 . 52088 1 475 . 1 . 1 62 62 PRO HD3 H 1 3.832 . . . . . . . . 62 PRO HD2 . 52088 1 476 . 1 . 1 62 62 PRO C C 13 177.187 . . . . . . . . 62 PRO C . 52088 1 477 . 1 . 1 62 62 PRO CA C 13 64.321 . . . . . . . . 62 PRO CA . 52088 1 478 . 1 . 1 62 62 PRO CB C 13 32.432 . . . . . . . . 62 PRO CB . 52088 1 479 . 1 . 1 62 62 PRO CG C 13 27.193 . . . . . . . . 62 PRO CG . 52088 1 480 . 1 . 1 62 62 PRO CD C 13 51.104 . . . . . . . . 62 PRO CD . 52088 1 481 . 1 . 1 63 63 LYS H H 1 7.981 . . . . . . . . 63 LYS HN . 52088 1 482 . 1 . 1 63 63 LYS HA H 1 4.368 . . . . . . . . 63 LYS HA . 52088 1 483 . 1 . 1 63 63 LYS HB2 H 1 1.932 . . . . . . . . 63 LYS HB2 . 52088 1 484 . 1 . 1 63 63 LYS C C 13 176.142 . . . . . . . . 63 LYS C . 52088 1 485 . 1 . 1 63 63 LYS CA C 13 55.868 . . . . . . . . 63 LYS CA . 52088 1 486 . 1 . 1 63 63 LYS CB C 13 33.026 . . . . . . . . 63 LYS CB . 52088 1 487 . 1 . 1 63 63 LYS N N 15 114.907 . . . . . . . . 63 LYS N . 52088 1 488 . 1 . 1 64 64 ASP H H 1 7.17 . . . . . . . . 64 ASP HN . 52088 1 489 . 1 . 1 64 64 ASP C C 13 173.989 . . . . . . . . 64 ASP C . 52088 1 490 . 1 . 1 64 64 ASP CA C 13 50.938 . . . . . . . . 64 ASP CA . 52088 1 491 . 1 . 1 64 64 ASP CB C 13 42.091 . . . . . . . . 64 ASP CB . 52088 1 492 . 1 . 1 64 64 ASP N N 15 116.865 . . . . . . . . 64 ASP N . 52088 1 493 . 1 . 1 65 65 PRO HA H 1 4.763 . . . . . . . . 65 PRO HA . 52088 1 494 . 1 . 1 65 65 PRO HB2 H 1 2.049 . . . . . . . . 65 PRO HB1 . 52088 1 495 . 1 . 1 65 65 PRO HB3 H 1 2.377 . . . . . . . . 65 PRO HB2 . 52088 1 496 . 1 . 1 65 65 PRO HG2 H 1 1.926 . . . . . . . . 65 PRO HG1 . 52088 1 497 . 1 . 1 65 65 PRO HG3 H 1 2.065 . . . . . . . . 65 PRO HG2 . 52088 1 498 . 1 . 1 65 65 PRO HD2 H 1 3.932 . . . . . . . . 65 PRO HD1 . 52088 1 499 . 1 . 1 65 65 PRO HD3 H 1 3.692 . . . . . . . . 65 PRO HD2 . 52088 1 500 . 1 . 1 65 65 PRO C C 13 175.916 . . . . . . . . 65 PRO C . 52088 1 501 . 1 . 1 65 65 PRO CA C 13 63.864 . . . . . . . . 65 PRO CA . 52088 1 502 . 1 . 1 65 65 PRO CB C 13 32.475 . . . . . . . . 65 PRO CB . 52088 1 503 . 1 . 1 65 65 PRO CG C 13 27.021 . . . . . . . . 65 PRO CG . 52088 1 504 . 1 . 1 65 65 PRO CD C 13 51.124 . . . . . . . . 65 PRO CD . 52088 1 505 . 1 . 1 66 66 ARG H H 1 7.876 . . . . . . . . 66 ARG HN . 52088 1 506 . 1 . 1 66 66 ARG C C 13 176.715 . . . . . . . . 66 ARG C . 52088 1 507 . 1 . 1 66 66 ARG CA C 13 56.797 . . . . . . . . 66 ARG CA . 52088 1 508 . 1 . 1 66 66 ARG CB C 13 30.789 . . . . . . . . 66 ARG CB . 52088 1 509 . 1 . 1 66 66 ARG N N 15 115.43 . . . . . . . . 66 ARG N . 52088 1 510 . 1 . 1 67 67 SER H H 1 7.941 . . . . . . . . 67 SER HN . 52088 1 511 . 1 . 1 67 67 SER HA H 1 6.186 . . . . . . . . 67 SER HA . 52088 1 512 . 1 . 1 67 67 SER HB2 H 1 3.615 . . . . . . . . 67 SER HB1 . 52088 1 513 . 1 . 1 67 67 SER HB3 H 1 3.77 . . . . . . . . 67 SER HB2 . 52088 1 514 . 1 . 1 67 67 SER C C 13 173.512 . . . . . . . . 67 SER C . 52088 1 515 . 1 . 1 67 67 SER CA C 13 57.109 . . . . . . . . 67 SER CA . 52088 1 516 . 1 . 1 67 67 SER CB C 13 66.107 . . . . . . . . 67 SER CB . 52088 1 517 . 1 . 1 67 67 SER N N 15 113.178 . . . . . . . . 67 SER N . 52088 1 518 . 1 . 1 68 68 TRP H H 1 9.347 . . . . . . . . 68 TRP HN . 52088 1 519 . 1 . 1 68 68 TRP HA H 1 5.225 . . . . . . . . 68 TRP HA . 52088 1 520 . 1 . 1 68 68 TRP HB2 H 1 2.952 . . . . . . . . 68 TRP HB1 . 52088 1 521 . 1 . 1 68 68 TRP HB3 H 1 3.209 . . . . . . . . 68 TRP HB2 . 52088 1 522 . 1 . 1 68 68 TRP C C 13 171.597 . . . . . . . . 68 TRP C . 52088 1 523 . 1 . 1 68 68 TRP CA C 13 57.143 . . . . . . . . 68 TRP CA . 52088 1 524 . 1 . 1 68 68 TRP CB C 13 33.167 . . . . . . . . 68 TRP CB . 52088 1 525 . 1 . 1 68 68 TRP N N 15 125.51 . . . . . . . . 68 TRP N . 52088 1 526 . 1 . 1 69 69 THR H H 1 8.946 . . . . . . . . 69 THR HN . 52088 1 527 . 1 . 1 69 69 THR HA H 1 5.086 . . . . . . . . 69 THR HA . 52088 1 528 . 1 . 1 69 69 THR HB H 1 3.85 . . . . . . . . 69 THR HB . 52088 1 529 . 1 . 1 69 69 THR HG21 H 1 1.068 . . . . . . . . 69 THR HG21 . 52088 1 530 . 1 . 1 69 69 THR HG22 H 1 1.068 . . . . . . . . 69 THR HG22 . 52088 1 531 . 1 . 1 69 69 THR HG23 H 1 1.068 . . . . . . . . 69 THR HG23 . 52088 1 532 . 1 . 1 69 69 THR C C 13 173.641 . . . . . . . . 69 THR C . 52088 1 533 . 1 . 1 69 69 THR CA C 13 60.846 . . . . . . . . 69 THR CA . 52088 1 534 . 1 . 1 69 69 THR CB C 13 71.615 . . . . . . . . 69 THR CB . 52088 1 535 . 1 . 1 69 69 THR CG2 C 13 22.321 . . . . . . . . 69 THR CG2 . 52088 1 536 . 1 . 1 69 69 THR N N 15 115.077 . . . . . . . . 69 THR N . 52088 1 537 . 1 . 1 70 70 ILE H H 1 8.727 . . . . . . . . 70 ILE HN . 52088 1 538 . 1 . 1 70 70 ILE HA H 1 4.706 . . . . . . . . 70 ILE HA . 52088 1 539 . 1 . 1 70 70 ILE HB H 1 1.509 . . . . . . . . 70 ILE HB . 52088 1 540 . 1 . 1 70 70 ILE HG12 H 1 1.127 . . . . . . . . 70 ILE HG12 . 52088 1 541 . 1 . 1 70 70 ILE HG21 H 1 0.751 . . . . . . . . 70 ILE HG21 . 52088 1 542 . 1 . 1 70 70 ILE HG22 H 1 0.751 . . . . . . . . 70 ILE HG22 . 52088 1 543 . 1 . 1 70 70 ILE HG23 H 1 0.751 . . . . . . . . 70 ILE HG23 . 52088 1 544 . 1 . 1 70 70 ILE HD11 H 1 0.721 . . . . . . . . 70 ILE HD11 . 52088 1 545 . 1 . 1 70 70 ILE HD12 H 1 0.721 . . . . . . . . 70 ILE HD12 . 52088 1 546 . 1 . 1 70 70 ILE HD13 H 1 0.721 . . . . . . . . 70 ILE HD13 . 52088 1 547 . 1 . 1 70 70 ILE C C 13 174.176 . . . . . . . . 70 ILE C . 52088 1 548 . 1 . 1 70 70 ILE CA C 13 60.856 . . . . . . . . 70 ILE CA . 52088 1 549 . 1 . 1 70 70 ILE CB C 13 38.963 . . . . . . . . 70 ILE CB . 52088 1 550 . 1 . 1 70 70 ILE CG1 C 13 27.58 . . . . . . . . 70 ILE CG1 . 52088 1 551 . 1 . 1 70 70 ILE CG2 C 13 18.008 . . . . . . . . 70 ILE CG2 . 52088 1 552 . 1 . 1 70 70 ILE CD1 C 13 15.056 . . . . . . . . 70 ILE CD1 . 52088 1 553 . 1 . 1 70 70 ILE N N 15 124.792 . . . . . . . . 70 ILE N . 52088 1 554 . 1 . 1 71 71 GLU H H 1 8.663 . . . . . . . . 71 GLU HN . 52088 1 555 . 1 . 1 71 71 GLU C C 13 175.302 . . . . . . . . 71 GLU C . 52088 1 556 . 1 . 1 71 71 GLU CA C 13 54.106 . . . . . . . . 71 GLU CA . 52088 1 557 . 1 . 1 71 71 GLU CB C 13 32.854 . . . . . . . . 71 GLU CB . 52088 1 558 . 1 . 1 71 71 GLU N N 15 124.925 . . . . . . . . 71 GLU N . 52088 1 559 . 1 . 1 72 72 GLY H H 1 8.31 . . . . . . . . 72 GLY HN . 52088 1 560 . 1 . 1 72 72 GLY C C 13 173.713 . . . . . . . . 72 GLY C . 52088 1 561 . 1 . 1 72 72 GLY CA C 13 45.384 . . . . . . . . 72 GLY CA . 52088 1 562 . 1 . 1 72 72 GLY N N 15 108.419 . . . . . . . . 72 GLY N . 52088 1 563 . 1 . 1 73 73 ASP H H 1 8.646 . . . . . . . . 73 ASP HN . 52088 1 564 . 1 . 1 73 73 ASP C C 13 176.422 . . . . . . . . 73 ASP C . 52088 1 565 . 1 . 1 73 73 ASP CA C 13 55.891 . . . . . . . . 73 ASP CA . 52088 1 566 . 1 . 1 73 73 ASP CB C 13 40.43 . . . . . . . . 73 ASP CB . 52088 1 567 . 1 . 1 73 73 ASP N N 15 121.58 . . . . . . . . 73 ASP N . 52088 1 568 . 1 . 1 75 75 LEU HA H 1 4.409 . . . . . . . . 75 LEU HA . 52088 1 569 . 1 . 1 75 75 LEU HB2 H 1 1.897 . . . . . . . . 75 LEU HB1 . 52088 1 570 . 1 . 1 75 75 LEU HB3 H 1 2.072 . . . . . . . . 75 LEU HB2 . 52088 1 571 . 1 . 1 75 75 LEU HG H 1 2.074 . . . . . . . . 75 LEU HG . 52088 1 572 . 1 . 1 75 75 LEU HD11 H 1 1.105 . . . . . . . . 75 LEU HD11 . 52088 1 573 . 1 . 1 75 75 LEU HD12 H 1 1.105 . . . . . . . . 75 LEU HD12 . 52088 1 574 . 1 . 1 75 75 LEU HD13 H 1 1.105 . . . . . . . . 75 LEU HD13 . 52088 1 575 . 1 . 1 75 75 LEU HD21 H 1 0.959 . . . . . . . . 75 LEU HD21 . 52088 1 576 . 1 . 1 75 75 LEU HD22 H 1 0.959 . . . . . . . . 75 LEU HD22 . 52088 1 577 . 1 . 1 75 75 LEU HD23 H 1 0.959 . . . . . . . . 75 LEU HD23 . 52088 1 578 . 1 . 1 75 75 LEU CA C 13 54.626 . . . . . . . . 75 LEU CA . 52088 1 579 . 1 . 1 75 75 LEU CB C 13 41.578 . . . . . . . . 75 LEU CB . 52088 1 580 . 1 . 1 75 75 LEU CG C 13 26.306 . . . . . . . . 75 LEU CG . 52088 1 581 . 1 . 1 75 75 LEU CD1 C 13 27.423 . . . . . . . . 75 LEU CD1 . 52088 1 582 . 1 . 1 75 75 LEU CD2 C 13 22.949 . . . . . . . . 75 LEU CD2 . 52088 1 583 . 1 . 1 76 76 SER C C 13 174.273 . . . . . . . . 76 SER C . 52088 1 584 . 1 . 1 76 76 SER CA C 13 59.668 . . . . . . . . 76 SER CA . 52088 1 585 . 1 . 1 77 77 LYS H H 1 7.636 . . . . . . . . 77 LYS HN . 52088 1 586 . 1 . 1 77 77 LYS C C 13 174.894 . . . . . . . . 77 LYS C . 52088 1 587 . 1 . 1 77 77 LYS CA C 13 55.036 . . . . . . . . 77 LYS CA . 52088 1 588 . 1 . 1 77 77 LYS CB C 13 34.143 . . . . . . . . 77 LYS CB . 52088 1 589 . 1 . 1 77 77 LYS N N 15 119.726 . . . . . . . . 77 LYS N . 52088 1 590 . 1 . 1 78 78 THR H H 1 7.834 . . . . . . . . 78 THR HN . 52088 1 591 . 1 . 1 78 78 THR C C 13 173.768 . . . . . . . . 78 THR C . 52088 1 592 . 1 . 1 78 78 THR CA C 13 61.701 . . . . . . . . 78 THR CA . 52088 1 593 . 1 . 1 78 78 THR CB C 13 70.299 . . . . . . . . 78 THR CB . 52088 1 594 . 1 . 1 78 78 THR N N 15 114.946 . . . . . . . . 78 THR N . 52088 1 595 . 1 . 1 79 79 PHE H H 1 8.185 . . . . . . . . 79 PHE HN . 52088 1 596 . 1 . 1 79 79 PHE C C 13 173.468 . . . . . . . . 79 PHE C . 52088 1 597 . 1 . 1 79 79 PHE CA C 13 56.591 . . . . . . . . 79 PHE CA . 52088 1 598 . 1 . 1 79 79 PHE CB C 13 41.581 . . . . . . . . 79 PHE CB . 52088 1 599 . 1 . 1 79 79 PHE N N 15 122.21 . . . . . . . . 79 PHE N . 52088 1 600 . 1 . 1 80 80 THR H H 1 8.546 . . . . . . . . 80 THR HN . 52088 1 601 . 1 . 1 80 80 THR HA H 1 4.733 . . . . . . . . 80 THR HA . 52088 1 602 . 1 . 1 80 80 THR HB H 1 3.744 . . . . . . . . 80 THR HB . 52088 1 603 . 1 . 1 80 80 THR C C 13 172.671 . . . . . . . . 80 THR C . 52088 1 604 . 1 . 1 80 80 THR CA C 13 62.275 . . . . . . . . 80 THR CA . 52088 1 605 . 1 . 1 80 80 THR CB C 13 70.239 . . . . . . . . 80 THR CB . 52088 1 606 . 1 . 1 80 80 THR N N 15 119.876 . . . . . . . . 80 THR N . 52088 1 607 . 1 . 1 81 81 LEU H H 1 8.462 . . . . . . . . 81 LEU HN . 52088 1 608 . 1 . 1 81 81 LEU HA H 1 4.925 . . . . . . . . 81 LEU HA . 52088 1 609 . 1 . 1 81 81 LEU HB2 H 1 -0.691 . . . . . . . . 81 LEU HB1 . 52088 1 610 . 1 . 1 81 81 LEU HB3 H 1 -0.087 . . . . . . . . 81 LEU HB2 . 52088 1 611 . 1 . 1 81 81 LEU HG H 1 0.775 . . . . . . . . 81 LEU HG . 52088 1 612 . 1 . 1 81 81 LEU HD11 H 1 0.146 . . . . . . . . 81 LEU HD11 . 52088 1 613 . 1 . 1 81 81 LEU HD12 H 1 0.146 . . . . . . . . 81 LEU HD12 . 52088 1 614 . 1 . 1 81 81 LEU HD13 H 1 0.146 . . . . . . . . 81 LEU HD13 . 52088 1 615 . 1 . 1 81 81 LEU HD21 H 1 -0.066 . . . . . . . . 81 LEU HD21 . 52088 1 616 . 1 . 1 81 81 LEU HD22 H 1 -0.066 . . . . . . . . 81 LEU HD22 . 52088 1 617 . 1 . 1 81 81 LEU HD23 H 1 -0.066 . . . . . . . . 81 LEU HD23 . 52088 1 618 . 1 . 1 81 81 LEU C C 13 175.362 . . . . . . . . 81 LEU C . 52088 1 619 . 1 . 1 81 81 LEU CA C 13 52.222 . . . . . . . . 81 LEU CA . 52088 1 620 . 1 . 1 81 81 LEU CB C 13 42.949 . . . . . . . . 81 LEU CB . 52088 1 621 . 1 . 1 81 81 LEU CG C 13 26.704 . . . . . . . . 81 LEU CG . 52088 1 622 . 1 . 1 81 81 LEU CD1 C 13 23.893 . . . . . . . . 81 LEU CD1 . 52088 1 623 . 1 . 1 81 81 LEU CD2 C 13 25.221 . . . . . . . . 81 LEU CD2 . 52088 1 624 . 1 . 1 81 81 LEU N N 15 127.701 . . . . . . . . 81 LEU N . 52088 1 625 . 1 . 1 82 82 THR H H 1 8.256 . . . . . . . . 82 THR HN . 52088 1 626 . 1 . 1 82 82 THR HA H 1 4.677 . . . . . . . . 82 THR HA . 52088 1 627 . 1 . 1 82 82 THR HB H 1 3.56 . . . . . . . . 82 THR HB . 52088 1 628 . 1 . 1 82 82 THR HG21 H 1 1.135 . . . . . . . . 82 THR HG21 . 52088 1 629 . 1 . 1 82 82 THR HG22 H 1 1.135 . . . . . . . . 82 THR HG22 . 52088 1 630 . 1 . 1 82 82 THR HG23 H 1 1.135 . . . . . . . . 82 THR HG23 . 52088 1 631 . 1 . 1 82 82 THR C C 13 173.691 . . . . . . . . 82 THR C . 52088 1 632 . 1 . 1 82 82 THR CA C 13 62.293 . . . . . . . . 82 THR CA . 52088 1 633 . 1 . 1 82 82 THR CB C 13 72.114 . . . . . . . . 82 THR CB . 52088 1 634 . 1 . 1 82 82 THR CG2 C 13 21.591 . . . . . . . . 82 THR CG2 . 52088 1 635 . 1 . 1 82 82 THR N N 15 115.011 . . . . . . . . 82 THR N . 52088 1 636 . 1 . 1 83 83 ALA H H 1 8.921 . . . . . . . . 83 ALA HN . 52088 1 637 . 1 . 1 83 83 ALA HA H 1 4.979 . . . . . . . . 83 ALA HA . 52088 1 638 . 1 . 1 83 83 ALA HB1 H 1 1.836 . . . . . . . . 83 ALA HB1 . 52088 1 639 . 1 . 1 83 83 ALA HB2 H 1 1.836 . . . . . . . . 83 ALA HB2 . 52088 1 640 . 1 . 1 83 83 ALA HB3 H 1 1.836 . . . . . . . . 83 ALA HB3 . 52088 1 641 . 1 . 1 83 83 ALA C C 13 176.413 . . . . . . . . 83 ALA C . 52088 1 642 . 1 . 1 83 83 ALA CA C 13 50.246 . . . . . . . . 83 ALA CA . 52088 1 643 . 1 . 1 83 83 ALA CB C 13 21.558 . . . . . . . . 83 ALA CB . 52088 1 644 . 1 . 1 83 83 ALA N N 15 130.48 . . . . . . . . 83 ALA N . 52088 1 645 . 1 . 1 84 84 ASP H H 1 8.847 . . . . . . . . 84 ASP HN . 52088 1 646 . 1 . 1 84 84 ASP HA H 1 4.501 . . . . . . . . 84 ASP HA . 52088 1 647 . 1 . 1 84 84 ASP C C 13 177.029 . . . . . . . . 84 ASP C . 52088 1 648 . 1 . 1 84 84 ASP CA C 13 57.023 . . . . . . . . 84 ASP CA . 52088 1 649 . 1 . 1 84 84 ASP CB C 13 41.446 . . . . . . . . 84 ASP CB . 52088 1 650 . 1 . 1 84 84 ASP N N 15 116.792 . . . . . . . . 84 ASP N . 52088 1 651 . 1 . 1 85 85 THR H H 1 7.299 . . . . . . . . 85 THR HN . 52088 1 652 . 1 . 1 85 85 THR HA H 1 4.76 . . . . . . . . 85 THR HA . 52088 1 653 . 1 . 1 85 85 THR HB H 1 4.734 . . . . . . . . 85 THR HB . 52088 1 654 . 1 . 1 85 85 THR HG21 H 1 1.268 . . . . . . . . 85 THR HG21 . 52088 1 655 . 1 . 1 85 85 THR HG22 H 1 1.268 . . . . . . . . 85 THR HG22 . 52088 1 656 . 1 . 1 85 85 THR HG23 H 1 1.268 . . . . . . . . 85 THR HG23 . 52088 1 657 . 1 . 1 85 85 THR C C 13 174.548 . . . . . . . . 85 THR C . 52088 1 658 . 1 . 1 85 85 THR CA C 13 58.578 . . . . . . . . 85 THR CA . 52088 1 659 . 1 . 1 85 85 THR CB C 13 73.762 . . . . . . . . 85 THR CB . 52088 1 660 . 1 . 1 85 85 THR CG2 C 13 21.89 . . . . . . . . 85 THR CG2 . 52088 1 661 . 1 . 1 85 85 THR N N 15 103.339 . . . . . . . . 85 THR N . 52088 1 662 . 1 . 1 86 86 GLU H H 1 9.371 . . . . . . . . 86 GLU HN . 52088 1 663 . 1 . 1 86 86 GLU C C 13 178.149 . . . . . . . . 86 GLU C . 52088 1 664 . 1 . 1 86 86 GLU CA C 13 59.687 . . . . . . . . 86 GLU CA . 52088 1 665 . 1 . 1 86 86 GLU CB C 13 29.567 . . . . . . . . 86 GLU CB . 52088 1 666 . 1 . 1 86 86 GLU N N 15 123.298 . . . . . . . . 86 GLU N . 52088 1 667 . 1 . 1 87 87 GLU H H 1 8.819 . . . . . . . . 87 GLU HN . 52088 1 668 . 1 . 1 87 87 GLU C C 13 179.616 . . . . . . . . 87 GLU C . 52088 1 669 . 1 . 1 87 87 GLU CA C 13 60.032 . . . . . . . . 87 GLU CA . 52088 1 670 . 1 . 1 87 87 GLU CB C 13 28.825 . . . . . . . . 87 GLU CB . 52088 1 671 . 1 . 1 87 87 GLU N N 15 119.506 . . . . . . . . 87 GLU N . 52088 1 672 . 1 . 1 88 88 GLN H H 1 7.939 . . . . . . . . 88 GLN HN . 52088 1 673 . 1 . 1 88 88 GLN C C 13 178.084 . . . . . . . . 88 GLN C . 52088 1 674 . 1 . 1 88 88 GLN CA C 13 58.538 . . . . . . . . 88 GLN CA . 52088 1 675 . 1 . 1 88 88 GLN CB C 13 29.949 . . . . . . . . 88 GLN CB . 52088 1 676 . 1 . 1 88 88 GLN N N 15 119.56 . . . . . . . . 88 GLN N . 52088 1 677 . 1 . 1 89 89 ARG H H 1 7.715 . . . . . . . . 89 ARG HN . 52088 1 678 . 1 . 1 89 89 ARG C C 13 176.927 . . . . . . . . 89 ARG C . 52088 1 679 . 1 . 1 89 89 ARG CA C 13 60.2 . . . . . . . . 89 ARG CA . 52088 1 680 . 1 . 1 89 89 ARG CB C 13 27.696 . . . . . . . . 89 ARG CB . 52088 1 681 . 1 . 1 89 89 ARG N N 15 121.515 . . . . . . . . 89 ARG N . 52088 1 682 . 1 . 1 90 90 GLU H H 1 8.173 . . . . . . . . 90 GLU HN . 52088 1 683 . 1 . 1 90 90 GLU HA H 1 3.619 . . . . . . . . 90 GLU HA . 52088 1 684 . 1 . 1 90 90 GLU C C 13 178.548 . . . . . . . . 90 GLU C . 52088 1 685 . 1 . 1 90 90 GLU CA C 13 59.256 . . . . . . . . 90 GLU CA . 52088 1 686 . 1 . 1 90 90 GLU CB C 13 29.225 . . . . . . . . 90 GLU CB . 52088 1 687 . 1 . 1 90 90 GLU N N 15 117.754 . . . . . . . . 90 GLU N . 52088 1 688 . 1 . 1 91 91 ALA H H 1 7.621 . . . . . . . . 91 ALA HN . 52088 1 689 . 1 . 1 91 91 ALA HA H 1 3.77 . . . . . . . . 91 ALA HA . 52088 1 690 . 1 . 1 91 91 ALA HB1 H 1 1.322 . . . . . . . . 91 ALA HB1 . 52088 1 691 . 1 . 1 91 91 ALA HB2 H 1 1.322 . . . . . . . . 91 ALA HB2 . 52088 1 692 . 1 . 1 91 91 ALA HB3 H 1 1.322 . . . . . . . . 91 ALA HB3 . 52088 1 693 . 1 . 1 91 91 ALA C C 13 179.358 . . . . . . . . 91 ALA C . 52088 1 694 . 1 . 1 91 91 ALA CA C 13 55.193 . . . . . . . . 91 ALA CA . 52088 1 695 . 1 . 1 91 91 ALA CB C 13 18.323 . . . . . . . . 91 ALA CB . 52088 1 696 . 1 . 1 91 91 ALA N N 15 121.017 . . . . . . . . 91 ALA N . 52088 1 697 . 1 . 1 92 92 TRP H H 1 7.937 . . . . . . . . 92 TRP HN . 52088 1 698 . 1 . 1 92 92 TRP HA H 1 3.547 . . . . . . . . 92 TRP HA . 52088 1 699 . 1 . 1 92 92 TRP HB2 H 1 2.852 . . . . . . . . 92 TRP HB2 . 52088 1 700 . 1 . 1 92 92 TRP C C 13 179.089 . . . . . . . . 92 TRP C . 52088 1 701 . 1 . 1 92 92 TRP CA C 13 61.504 . . . . . . . . 92 TRP CA . 52088 1 702 . 1 . 1 92 92 TRP CB C 13 30.693 . . . . . . . . 92 TRP CB . 52088 1 703 . 1 . 1 92 92 TRP N N 15 117.559 . . . . . . . . 92 TRP N . 52088 1 704 . 1 . 1 93 93 VAL H H 1 8.079 . . . . . . . . 93 VAL HN . 52088 1 705 . 1 . 1 93 93 VAL HA H 1 2.788 . . . . . . . . 93 VAL HA . 52088 1 706 . 1 . 1 93 93 VAL HB H 1 1.587 . . . . . . . . 93 VAL HB . 52088 1 707 . 1 . 1 93 93 VAL HG11 H 1 0.514 . . . . . . . . 93 VAL HG11 . 52088 1 708 . 1 . 1 93 93 VAL HG12 H 1 0.514 . . . . . . . . 93 VAL HG12 . 52088 1 709 . 1 . 1 93 93 VAL HG13 H 1 0.514 . . . . . . . . 93 VAL HG13 . 52088 1 710 . 1 . 1 93 93 VAL HG21 H 1 -0.255 . . . . . . . . 93 VAL HG21 . 52088 1 711 . 1 . 1 93 93 VAL HG22 H 1 -0.255 . . . . . . . . 93 VAL HG22 . 52088 1 712 . 1 . 1 93 93 VAL HG23 H 1 -0.255 . . . . . . . . 93 VAL HG23 . 52088 1 713 . 1 . 1 93 93 VAL C C 13 178.849 . . . . . . . . 93 VAL C . 52088 1 714 . 1 . 1 93 93 VAL CA C 13 67.084 . . . . . . . . 93 VAL CA . 52088 1 715 . 1 . 1 93 93 VAL CB C 13 30.752 . . . . . . . . 93 VAL CB . 52088 1 716 . 1 . 1 93 93 VAL CG1 C 13 20.803 . . . . . . . . 93 VAL CG1 . 52088 1 717 . 1 . 1 93 93 VAL CG2 C 13 21.532 . . . . . . . . 93 VAL CG2 . 52088 1 718 . 1 . 1 93 93 VAL N N 15 117.93 . . . . . . . . 93 VAL N . 52088 1 719 . 1 . 1 94 94 ARG H H 1 7.989 . . . . . . . . 94 ARG HN . 52088 1 720 . 1 . 1 94 94 ARG C C 13 178.997 . . . . . . . . 94 ARG C . 52088 1 721 . 1 . 1 94 94 ARG CA C 13 59.585 . . . . . . . . 94 ARG CA . 52088 1 722 . 1 . 1 94 94 ARG CB C 13 29.638 . . . . . . . . 94 ARG CB . 52088 1 723 . 1 . 1 94 94 ARG N N 15 122.305 . . . . . . . . 94 ARG N . 52088 1 724 . 1 . 1 95 95 GLU H H 1 7.54 . . . . . . . . 95 GLU HN . 52088 1 725 . 1 . 1 95 95 GLU HA H 1 3.894 . . . . . . . . 95 GLU HA . 52088 1 726 . 1 . 1 95 95 GLU HB2 H 1 1.362 . . . . . . . . 95 GLU HB1 . 52088 1 727 . 1 . 1 95 95 GLU HB3 H 1 1.662 . . . . . . . . 95 GLU HB2 . 52088 1 728 . 1 . 1 95 95 GLU HG2 H 1 1.427 . . . . . . . . 95 GLU HG1 . 52088 1 729 . 1 . 1 95 95 GLU HG3 H 1 1.945 . . . . . . . . 95 GLU HG2 . 52088 1 730 . 1 . 1 95 95 GLU C C 13 179.681 . . . . . . . . 95 GLU C . 52088 1 731 . 1 . 1 95 95 GLU CA C 13 58.497 . . . . . . . . 95 GLU CA . 52088 1 732 . 1 . 1 95 95 GLU CB C 13 28.118 . . . . . . . . 95 GLU CB . 52088 1 733 . 1 . 1 95 95 GLU CG C 13 34.507 . . . . . . . . 95 GLU CG . 52088 1 734 . 1 . 1 95 95 GLU N N 15 117.3 . . . . . . . . 95 GLU N . 52088 1 735 . 1 . 1 96 96 MET H H 1 8.55 . . . . . . . . 96 MET HN . 52088 1 736 . 1 . 1 96 96 MET HA H 1 3.809 . . . . . . . . 96 MET HA . 52088 1 737 . 1 . 1 96 96 MET HB2 H 1 1.449 . . . . . . . . 96 MET HB1 . 52088 1 738 . 1 . 1 96 96 MET HB3 H 1 1.606 . . . . . . . . 96 MET HB2 . 52088 1 739 . 1 . 1 96 96 MET HG2 H 1 3.109 . . . . . . . . 96 MET HG1 . 52088 1 740 . 1 . 1 96 96 MET HG3 H 1 2.322 . . . . . . . . 96 MET HG2 . 52088 1 741 . 1 . 1 96 96 MET C C 13 176.807 . . . . . . . . 96 MET C . 52088 1 742 . 1 . 1 96 96 MET CA C 13 59.685 . . . . . . . . 96 MET CA . 52088 1 743 . 1 . 1 96 96 MET CB C 13 32.072 . . . . . . . . 96 MET CB . 52088 1 744 . 1 . 1 96 96 MET CG C 13 34.765 . . . . . . . . 96 MET CG . 52088 1 745 . 1 . 1 96 96 MET N N 15 117.423 . . . . . . . . 96 MET N . 52088 1 746 . 1 . 1 97 97 SER H H 1 7.787 . . . . . . . . 97 SER HN . 52088 1 747 . 1 . 1 97 97 SER C C 13 176.77 . . . . . . . . 97 SER C . 52088 1 748 . 1 . 1 97 97 SER CA C 13 60.888 . . . . . . . . 97 SER CA . 52088 1 749 . 1 . 1 97 97 SER CB C 13 63.37 . . . . . . . . 97 SER CB . 52088 1 750 . 1 . 1 97 97 SER N N 15 111.626 . . . . . . . . 97 SER N . 52088 1 751 . 1 . 1 98 98 LYS H H 1 7.173 . . . . . . . . 98 LYS HN . 52088 1 752 . 1 . 1 98 98 LYS C C 13 174.507 . . . . . . . . 98 LYS C . 52088 1 753 . 1 . 1 98 98 LYS CA C 13 58.324 . . . . . . . . 98 LYS CA . 52088 1 754 . 1 . 1 98 98 LYS N N 15 119.597 . . . . . . . . 98 LYS N . 52088 1 755 . 1 . 1 99 99 VAL HA H 1 3.968 . . . . . . . . 99 VAL HA . 52088 1 756 . 1 . 1 99 99 VAL HB H 1 2.205 . . . . . . . . 99 VAL HB . 52088 1 757 . 1 . 1 99 99 VAL HG11 H 1 0.993 . . . . . . . . 99 VAL HG11 . 52088 1 758 . 1 . 1 99 99 VAL HG12 H 1 0.993 . . . . . . . . 99 VAL HG12 . 52088 1 759 . 1 . 1 99 99 VAL HG13 H 1 0.993 . . . . . . . . 99 VAL HG13 . 52088 1 760 . 1 . 1 99 99 VAL HG21 H 1 1.104 . . . . . . . . 99 VAL HG21 . 52088 1 761 . 1 . 1 99 99 VAL HG22 H 1 1.104 . . . . . . . . 99 VAL HG22 . 52088 1 762 . 1 . 1 99 99 VAL HG23 H 1 1.104 . . . . . . . . 99 VAL HG23 . 52088 1 763 . 1 . 1 99 99 VAL CA C 13 63.143 . . . . . . . . 99 VAL CA . 52088 1 764 . 1 . 1 99 99 VAL CB C 13 31.806 . . . . . . . . 99 VAL CB . 52088 1 765 . 1 . 1 99 99 VAL CG1 C 13 21.556 . . . . . . . . 99 VAL CG1 . 52088 1 766 . 1 . 1 99 99 VAL CG2 C 13 20.872 . . . . . . . . 99 VAL CG2 . 52088 1 767 . 1 . 1 101 101 PRO HA H 1 4.431 . . . . . . . . 101 PRO HA . 52088 1 768 . 1 . 1 101 101 PRO HB2 H 1 1.948 . . . . . . . . 101 PRO HB1 . 52088 1 769 . 1 . 1 101 101 PRO HB3 H 1 2.332 . . . . . . . . 101 PRO HB2 . 52088 1 770 . 1 . 1 101 101 PRO HG2 H 1 2.046 . . . . . . . . 101 PRO HG1 . 52088 1 771 . 1 . 1 101 101 PRO HG3 H 1 2.092 . . . . . . . . 101 PRO HG2 . 52088 1 772 . 1 . 1 101 101 PRO HD2 H 1 3.745 . . . . . . . . 101 PRO HD1 . 52088 1 773 . 1 . 1 101 101 PRO HD3 H 1 3.932 . . . . . . . . 101 PRO HD2 . 52088 1 774 . 1 . 1 101 101 PRO C C 13 177.196 . . . . . . . . 101 PRO C . 52088 1 775 . 1 . 1 101 101 PRO CA C 13 63.523 . . . . . . . . 101 PRO CA . 52088 1 776 . 1 . 1 101 101 PRO CB C 13 32.088 . . . . . . . . 101 PRO CB . 52088 1 777 . 1 . 1 101 101 PRO CG C 13 27.487 . . . . . . . . 101 PRO CG . 52088 1 778 . 1 . 1 101 101 PRO CD C 13 50.715 . . . . . . . . 101 PRO CD . 52088 1 779 . 1 . 1 102 102 GLU H H 1 8.709 . . . . . . . . 102 GLU HN . 52088 1 780 . 1 . 1 102 102 GLU C C 13 176.28 . . . . . . . . 102 GLU C . 52088 1 781 . 1 . 1 102 102 GLU CA C 13 56.964 . . . . . . . . 102 GLU CA . 52088 1 782 . 1 . 1 102 102 GLU CB C 13 30.21 . . . . . . . . 102 GLU CB . 52088 1 783 . 1 . 1 102 102 GLU N N 15 120.381 . . . . . . . . 102 GLU N . 52088 1 784 . 1 . 1 103 103 ASN H H 1 8.369 . . . . . . . . 103 ASN HN . 52088 1 785 . 1 . 1 103 103 ASN HA H 1 4.746 . . . . . . . . 103 ASN HA . 52088 1 786 . 1 . 1 103 103 ASN HB2 H 1 2.805 . . . . . . . . 103 ASN HB1 . 52088 1 787 . 1 . 1 103 103 ASN HB3 H 1 2.89 . . . . . . . . 103 ASN HB2 . 52088 1 788 . 1 . 1 103 103 ASN C C 13 175.384 . . . . . . . . 103 ASN C . 52088 1 789 . 1 . 1 103 103 ASN CA C 13 53.152 . . . . . . . . 103 ASN CA . 52088 1 790 . 1 . 1 103 103 ASN CB C 13 38.75 . . . . . . . . 103 ASN CB . 52088 1 791 . 1 . 1 103 103 ASN N N 15 119.892 . . . . . . . . 103 ASN N . 52088 1 792 . 1 . 1 104 104 ARG H H 1 8.26 . . . . . . . . 104 ARG HN . 52088 1 793 . 1 . 1 104 104 ARG HA H 1 4.266 . . . . . . . . 104 ARG HA . 52088 1 794 . 1 . 1 104 104 ARG HB2 H 1 1.892 . . . . . . . . 104 ARG HB1 . 52088 1 795 . 1 . 1 104 104 ARG HB3 H 1 1.792 . . . . . . . . 104 ARG HB2 . 52088 1 796 . 1 . 1 104 104 ARG HG2 H 1 1.634 . . . . . . . . 104 ARG HG2 . 52088 1 797 . 1 . 1 104 104 ARG HD2 H 1 3.192 . . . . . . . . 104 ARG HD2 . 52088 1 798 . 1 . 1 104 104 ARG C C 13 176.609 . . . . . . . . 104 ARG C . 52088 1 799 . 1 . 1 104 104 ARG CA C 13 56.86 . . . . . . . . 104 ARG CA . 52088 1 800 . 1 . 1 104 104 ARG CB C 13 30.58 . . . . . . . . 104 ARG CB . 52088 1 801 . 1 . 1 104 104 ARG CG C 13 27.109 . . . . . . . . 104 ARG CG . 52088 1 802 . 1 . 1 104 104 ARG CD C 13 43.208 . . . . . . . . 104 ARG CD . 52088 1 803 . 1 . 1 104 104 ARG N N 15 121.822 . . . . . . . . 104 ARG N . 52088 1 804 . 1 . 1 105 105 GLU H H 1 8.388 . . . . . . . . 105 GLU HN . 52088 1 805 . 1 . 1 105 105 GLU HA H 1 4.198 . . . . . . . . 105 GLU HA . 52088 1 806 . 1 . 1 105 105 GLU HB2 H 1 1.977 . . . . . . . . 105 GLU HB1 . 52088 1 807 . 1 . 1 105 105 GLU HB3 H 1 2.031 . . . . . . . . 105 GLU HB2 . 52088 1 808 . 1 . 1 105 105 GLU HG2 H 1 2.234 . . . . . . . . 105 GLU HG1 . 52088 1 809 . 1 . 1 105 105 GLU HG3 H 1 2.276 . . . . . . . . 105 GLU HG2 . 52088 1 810 . 1 . 1 105 105 GLU C C 13 176.777 . . . . . . . . 105 GLU C . 52088 1 811 . 1 . 1 105 105 GLU CA C 13 57.347 . . . . . . . . 105 GLU CA . 52088 1 812 . 1 . 1 105 105 GLU CB C 13 29.875 . . . . . . . . 105 GLU CB . 52088 1 813 . 1 . 1 105 105 GLU CG C 13 36.325 . . . . . . . . 105 GLU CG . 52088 1 814 . 1 . 1 105 105 GLU N N 15 120.953 . . . . . . . . 105 GLU N . 52088 1 815 . 1 . 1 106 106 GLN H H 1 8.215 . . . . . . . . 106 GLN HN . 52088 1 816 . 1 . 1 106 106 GLN HA H 1 4.272 . . . . . . . . 106 GLN HA . 52088 1 817 . 1 . 1 106 106 GLN HB2 H 1 1.981 . . . . . . . . 106 GLN HB1 . 52088 1 818 . 1 . 1 106 106 GLN HB3 H 1 2.097 . . . . . . . . 106 GLN HB2 . 52088 1 819 . 1 . 1 106 106 GLN HG2 H 1 2.347 . . . . . . . . 106 GLN HG2 . 52088 1 820 . 1 . 1 106 106 GLN C C 13 176.092 . . . . . . . . 106 GLN C . 52088 1 821 . 1 . 1 106 106 GLN CA C 13 56.083 . . . . . . . . 106 GLN CA . 52088 1 822 . 1 . 1 106 106 GLN CB C 13 29.104 . . . . . . . . 106 GLN CB . 52088 1 823 . 1 . 1 106 106 GLN CG C 13 33.768 . . . . . . . . 106 GLN CG . 52088 1 824 . 1 . 1 106 106 GLN N N 15 120.308 . . . . . . . . 106 GLN N . 52088 1 825 . 1 . 1 107 107 LEU H H 1 8.059 . . . . . . . . 107 LEU HN . 52088 1 826 . 1 . 1 107 107 LEU HA H 1 4.257 . . . . . . . . 107 LEU HA . 52088 1 827 . 1 . 1 107 107 LEU HB2 H 1 1.504 . . . . . . . . 107 LEU HB1 . 52088 1 828 . 1 . 1 107 107 LEU HB3 H 1 1.614 . . . . . . . . 107 LEU HB2 . 52088 1 829 . 1 . 1 107 107 LEU HG H 1 1.582 . . . . . . . . 107 LEU HG . 52088 1 830 . 1 . 1 107 107 LEU HD11 H 1 0.824 . . . . . . . . 107 LEU HD11 . 52088 1 831 . 1 . 1 107 107 LEU HD12 H 1 0.824 . . . . . . . . 107 LEU HD12 . 52088 1 832 . 1 . 1 107 107 LEU HD13 H 1 0.824 . . . . . . . . 107 LEU HD13 . 52088 1 833 . 1 . 1 107 107 LEU HD21 H 1 0.878 . . . . . . . . 107 LEU HD21 . 52088 1 834 . 1 . 1 107 107 LEU HD22 H 1 0.878 . . . . . . . . 107 LEU HD22 . 52088 1 835 . 1 . 1 107 107 LEU HD23 H 1 0.878 . . . . . . . . 107 LEU HD23 . 52088 1 836 . 1 . 1 107 107 LEU C C 13 177.452 . . . . . . . . 107 LEU C . 52088 1 837 . 1 . 1 107 107 LEU CA C 13 55.511 . . . . . . . . 107 LEU CA . 52088 1 838 . 1 . 1 107 107 LEU CB C 13 42.369 . . . . . . . . 107 LEU CB . 52088 1 839 . 1 . 1 107 107 LEU CG C 13 26.904 . . . . . . . . 107 LEU CG . 52088 1 840 . 1 . 1 107 107 LEU CD1 C 13 23.292 . . . . . . . . 107 LEU CD1 . 52088 1 841 . 1 . 1 107 107 LEU CD2 C 13 24.956 . . . . . . . . 107 LEU CD2 . 52088 1 842 . 1 . 1 107 107 LEU N N 15 122.43 . . . . . . . . 107 LEU N . 52088 1 843 . 1 . 1 108 108 GLU H H 1 8.194 . . . . . . . . 108 GLU HN . 52088 1 844 . 1 . 1 108 108 GLU C C 13 176.203 . . . . . . . . 108 GLU C . 52088 1 845 . 1 . 1 108 108 GLU CA C 13 56.629 . . . . . . . . 108 GLU CA . 52088 1 846 . 1 . 1 108 108 GLU CB C 13 30.164 . . . . . . . . 108 GLU CB . 52088 1 847 . 1 . 1 108 108 GLU N N 15 120.447 . . . . . . . . 108 GLU N . 52088 1 848 . 1 . 1 109 109 HIS H H 1 8.201 . . . . . . . . 109 HIS HN . 52088 1 849 . 1 . 1 109 109 HIS C C 13 174.719 . . . . . . . . 109 HIS C . 52088 1 850 . 1 . 1 109 109 HIS CA C 13 55.777 . . . . . . . . 109 HIS CA . 52088 1 851 . 1 . 1 109 109 HIS CB C 13 29.894 . . . . . . . . 109 HIS CB . 52088 1 852 . 1 . 1 109 109 HIS N N 15 119.344 . . . . . . . . 109 HIS N . 52088 1 stop_ save_