data_52156 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52156 _Entry.Title ; LTA-binding domain of SlpA, the S-layer protein from Lactobacillus amylovorus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-09-29 _Entry.Accession_date 2023-09-29 _Entry.Last_release_date 2023-09-29 _Entry.Original_release_date 2023-09-29 _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 1 _Entry.Generated_software_label $software_1 _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 Nina Gubensak . . . . 52156 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52156 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 339 52156 '15N chemical shifts' 111 52156 '1H chemical shifts' 111 52156 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 . . 2024-09-10 . original BMRB . 52156 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52156 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38838019 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 121 _Citation.Journal_issue 24 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _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 e2401686121 _Citation.Page_last e2401686121 _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 Nina Gubensak . . . . 52156 1 2 Theo Sagmeister . . . . 52156 1 3 Christoph Buhlheller . . . . 52156 1 4 Christoph Grinninger . . . . 52156 1 5 Markus Eder . . . . 52156 1 6 Andela Dordic . . . . 52156 1 7 Claudia Millan . . . . 52156 1 8 Ana Medina . . . . 52156 1 9 Pedro 'Sanchez Murcia' . . . . 52156 1 10 Francesca Berni . . . . 52156 1 11 Ulla Hynonen . . . . 52156 1 12 Djenana Vejzovic . . . . 52156 1 13 Elisabeth Damisch . . . . 52156 1 14 Natalia Kulminskaya . . . . 52156 1 15 Lukas Petrowitsch . . . . 52156 1 16 Monika Oberer . . . . 52156 1 17 Airi Palva . . . . 52156 1 18 Nermina Malanovic . . . . 52156 1 19 Jeroen Codee . . . . 52156 1 20 Walter Keller . . . . 52156 1 21 Isabel Uson . . . . 52156 1 22 Tea Pavkov-Keller . . . . 52156 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52156 _Assembly.ID 1 _Assembly.Name SlpA_amy_III _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 SlpA_amy_III 1 $entity_1 . . yes native no no . . . 52156 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52156 _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 ; MVSVANAAQTPAAQETTKNV TIMHISTIYDKTGKATNEPA LRAYDTVSVVSDPVTINNAK FYKLAGKDQYIKVGNVDGTS RTLKHNSYVYKSSGKRANKK TLKKGSSVTTYGKSFMIAGH QMYRIGKNQYVKKANFLE ; _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 138 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'S-layer protein' 52156 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 . 52156 1 2 . VAL . 52156 1 3 . SER . 52156 1 4 . VAL . 52156 1 5 . ALA . 52156 1 6 . ASN . 52156 1 7 . ALA . 52156 1 8 . ALA . 52156 1 9 . GLN . 52156 1 10 . THR . 52156 1 11 . PRO . 52156 1 12 . ALA . 52156 1 13 . ALA . 52156 1 14 . GLN . 52156 1 15 . GLU . 52156 1 16 . THR . 52156 1 17 . THR . 52156 1 18 . LYS . 52156 1 19 . ASN . 52156 1 20 . VAL . 52156 1 21 . THR . 52156 1 22 . ILE . 52156 1 23 . MET . 52156 1 24 . HIS . 52156 1 25 . ILE . 52156 1 26 . SER . 52156 1 27 . THR . 52156 1 28 . ILE . 52156 1 29 . TYR . 52156 1 30 . ASP . 52156 1 31 . LYS . 52156 1 32 . THR . 52156 1 33 . GLY . 52156 1 34 . LYS . 52156 1 35 . ALA . 52156 1 36 . THR . 52156 1 37 . ASN . 52156 1 38 . GLU . 52156 1 39 . PRO . 52156 1 40 . ALA . 52156 1 41 . LEU . 52156 1 42 . ARG . 52156 1 43 . ALA . 52156 1 44 . TYR . 52156 1 45 . ASP . 52156 1 46 . THR . 52156 1 47 . VAL . 52156 1 48 . SER . 52156 1 49 . VAL . 52156 1 50 . VAL . 52156 1 51 . SER . 52156 1 52 . ASP . 52156 1 53 . PRO . 52156 1 54 . VAL . 52156 1 55 . THR . 52156 1 56 . ILE . 52156 1 57 . ASN . 52156 1 58 . ASN . 52156 1 59 . ALA . 52156 1 60 . LYS . 52156 1 61 . PHE . 52156 1 62 . TYR . 52156 1 63 . LYS . 52156 1 64 . LEU . 52156 1 65 . ALA . 52156 1 66 . GLY . 52156 1 67 . LYS . 52156 1 68 . ASP . 52156 1 69 . GLN . 52156 1 70 . TYR . 52156 1 71 . ILE . 52156 1 72 . LYS . 52156 1 73 . VAL . 52156 1 74 . GLY . 52156 1 75 . ASN . 52156 1 76 . VAL . 52156 1 77 . ASP . 52156 1 78 . GLY . 52156 1 79 . THR . 52156 1 80 . SER . 52156 1 81 . ARG . 52156 1 82 . THR . 52156 1 83 . LEU . 52156 1 84 . LYS . 52156 1 85 . HIS . 52156 1 86 . ASN . 52156 1 87 . SER . 52156 1 88 . TYR . 52156 1 89 . VAL . 52156 1 90 . TYR . 52156 1 91 . LYS . 52156 1 92 . SER . 52156 1 93 . SER . 52156 1 94 . GLY . 52156 1 95 . LYS . 52156 1 96 . ARG . 52156 1 97 . ALA . 52156 1 98 . ASN . 52156 1 99 . LYS . 52156 1 100 . LYS . 52156 1 101 . THR . 52156 1 102 . LEU . 52156 1 103 . LYS . 52156 1 104 . LYS . 52156 1 105 . GLY . 52156 1 106 . SER . 52156 1 107 . SER . 52156 1 108 . VAL . 52156 1 109 . THR . 52156 1 110 . THR . 52156 1 111 . TYR . 52156 1 112 . GLY . 52156 1 113 . LYS . 52156 1 114 . SER . 52156 1 115 . PHE . 52156 1 116 . MET . 52156 1 117 . ILE . 52156 1 118 . ALA . 52156 1 119 . GLY . 52156 1 120 . HIS . 52156 1 121 . GLN . 52156 1 122 . MET . 52156 1 123 . TYR . 52156 1 124 . ARG . 52156 1 125 . ILE . 52156 1 126 . GLY . 52156 1 127 . LYS . 52156 1 128 . ASN . 52156 1 129 . GLN . 52156 1 130 . TYR . 52156 1 131 . VAL . 52156 1 132 . LYS . 52156 1 133 . LYS . 52156 1 134 . ALA . 52156 1 135 . ASN . 52156 1 136 . PHE . 52156 1 137 . LEU . 52156 1 138 . GLU . 52156 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 52156 1 . VAL 2 2 52156 1 . SER 3 3 52156 1 . VAL 4 4 52156 1 . ALA 5 5 52156 1 . ASN 6 6 52156 1 . ALA 7 7 52156 1 . ALA 8 8 52156 1 . GLN 9 9 52156 1 . THR 10 10 52156 1 . PRO 11 11 52156 1 . ALA 12 12 52156 1 . ALA 13 13 52156 1 . GLN 14 14 52156 1 . GLU 15 15 52156 1 . THR 16 16 52156 1 . THR 17 17 52156 1 . LYS 18 18 52156 1 . ASN 19 19 52156 1 . VAL 20 20 52156 1 . THR 21 21 52156 1 . ILE 22 22 52156 1 . MET 23 23 52156 1 . HIS 24 24 52156 1 . ILE 25 25 52156 1 . SER 26 26 52156 1 . THR 27 27 52156 1 . ILE 28 28 52156 1 . TYR 29 29 52156 1 . ASP 30 30 52156 1 . LYS 31 31 52156 1 . THR 32 32 52156 1 . GLY 33 33 52156 1 . LYS 34 34 52156 1 . ALA 35 35 52156 1 . THR 36 36 52156 1 . ASN 37 37 52156 1 . GLU 38 38 52156 1 . PRO 39 39 52156 1 . ALA 40 40 52156 1 . LEU 41 41 52156 1 . ARG 42 42 52156 1 . ALA 43 43 52156 1 . TYR 44 44 52156 1 . ASP 45 45 52156 1 . THR 46 46 52156 1 . VAL 47 47 52156 1 . SER 48 48 52156 1 . VAL 49 49 52156 1 . VAL 50 50 52156 1 . SER 51 51 52156 1 . ASP 52 52 52156 1 . PRO 53 53 52156 1 . VAL 54 54 52156 1 . THR 55 55 52156 1 . ILE 56 56 52156 1 . ASN 57 57 52156 1 . ASN 58 58 52156 1 . ALA 59 59 52156 1 . LYS 60 60 52156 1 . PHE 61 61 52156 1 . TYR 62 62 52156 1 . LYS 63 63 52156 1 . LEU 64 64 52156 1 . ALA 65 65 52156 1 . GLY 66 66 52156 1 . LYS 67 67 52156 1 . ASP 68 68 52156 1 . GLN 69 69 52156 1 . TYR 70 70 52156 1 . ILE 71 71 52156 1 . LYS 72 72 52156 1 . VAL 73 73 52156 1 . GLY 74 74 52156 1 . ASN 75 75 52156 1 . VAL 76 76 52156 1 . ASP 77 77 52156 1 . GLY 78 78 52156 1 . THR 79 79 52156 1 . SER 80 80 52156 1 . ARG 81 81 52156 1 . THR 82 82 52156 1 . LEU 83 83 52156 1 . LYS 84 84 52156 1 . HIS 85 85 52156 1 . ASN 86 86 52156 1 . SER 87 87 52156 1 . TYR 88 88 52156 1 . VAL 89 89 52156 1 . TYR 90 90 52156 1 . LYS 91 91 52156 1 . SER 92 92 52156 1 . SER 93 93 52156 1 . GLY 94 94 52156 1 . LYS 95 95 52156 1 . ARG 96 96 52156 1 . ALA 97 97 52156 1 . ASN 98 98 52156 1 . LYS 99 99 52156 1 . LYS 100 100 52156 1 . THR 101 101 52156 1 . LEU 102 102 52156 1 . LYS 103 103 52156 1 . LYS 104 104 52156 1 . GLY 105 105 52156 1 . SER 106 106 52156 1 . SER 107 107 52156 1 . VAL 108 108 52156 1 . THR 109 109 52156 1 . THR 110 110 52156 1 . TYR 111 111 52156 1 . GLY 112 112 52156 1 . LYS 113 113 52156 1 . SER 114 114 52156 1 . PHE 115 115 52156 1 . MET 116 116 52156 1 . ILE 117 117 52156 1 . ALA 118 118 52156 1 . GLY 119 119 52156 1 . HIS 120 120 52156 1 . GLN 121 121 52156 1 . MET 122 122 52156 1 . TYR 123 123 52156 1 . ARG 124 124 52156 1 . ILE 125 125 52156 1 . GLY 126 126 52156 1 . LYS 127 127 52156 1 . ASN 128 128 52156 1 . GLN 129 129 52156 1 . TYR 130 130 52156 1 . VAL 131 131 52156 1 . LYS 132 132 52156 1 . LYS 133 133 52156 1 . ALA 134 134 52156 1 . ASN 135 135 52156 1 . PHE 136 136 52156 1 . LEU 137 137 52156 1 . GLU 138 138 52156 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 52156 _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 . 1604 organism . 'Lactobacillus amylovorus' 'Lactobacillus amylovorus' . . Bacteria . Lactobacillus amylovorus . . . . . . . . . . . . . 52156 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 52156 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-28a . . . 52156 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52156 _Sample.ID 1 _Sample.Name SlpA_amy_III _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ADA 'natural abundance' . . 1 $entity_1 . . 20 . . mM . . . . 52156 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 52156 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 52156 1 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 52156 _Sample_condition_list.ID 1 _Sample_condition_list.Name SlpA_amy_III _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 52156 1 pH 6.5 . pH 52156 1 pressure 1 . atm 52156 1 temperature 273 . K 52156 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52156 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52156 1 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 52156 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III 700 MHz spectrometer equipped with a cryogenically cooled 5 mm TCI probe' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52156 _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 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52156 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52156 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52156 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52156 1 5 '3D HNCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52156 1 6 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52156 1 7 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52156 1 8 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52156 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 52156 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name SlpA_amy_II_CS_Nmrstar _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 . . . . . . 52156 1 H 1 water protons . . . . ppm 4.76 internal direct 1 . . . . . 52156 1 N 15 water protons . . . . ppm 4.76 internal indirect . . . . . . 52156 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 52156 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name SlpA_amy_III_CS_NMRstar.txt _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 '2D 1H-15N HSQC' . . . 52156 1 2 '3D HNCA' . . . 52156 1 3 '3D HNCO' . . . 52156 1 4 '3D HNCACB' . . . 52156 1 5 '3D HNCACO' . . . 52156 1 6 '3D HN(CO)CA' . . . 52156 1 7 '3D H(CCO)NH' . . . 52156 1 8 '3D C(CO)NH' . . . 52156 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 . . 52156 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 13 173.933 . . . . . . . . 3 S C . 52156 1 2 . 1 . 1 3 3 SER CA C 13 58.087 . . . . . . . . 3 S CA . 52156 1 3 . 1 . 1 3 3 SER CB C 13 63.891 . . . . . . . . 3 S CB . 52156 1 4 . 1 . 1 4 4 VAL H H 1 8.285 . . . . . . . . 4 V HN . 52156 1 5 . 1 . 1 4 4 VAL C C 13 174.779 . . . . . . . . 4 V C . 52156 1 6 . 1 . 1 4 4 VAL CA C 13 62.179 . . . . . . . . 4 V CA . 52156 1 7 . 1 . 1 4 4 VAL CB C 13 32.825 . . . . . . . . 4 V CB . 52156 1 8 . 1 . 1 4 4 VAL N N 15 122.510 . . . . . . . . 4 V N . 52156 1 9 . 1 . 1 5 5 ALA H H 1 7.921 . . . . . . . . 5 A HN . 52156 1 10 . 1 . 1 5 5 ALA C C 13 182.319 . . . . . . . . 5 A C . 52156 1 11 . 1 . 1 5 5 ALA CA C 13 53.822 . . . . . . . . 5 A CA . 52156 1 12 . 1 . 1 5 5 ALA CB C 13 20.192 . . . . . . . . 5 A CB . 52156 1 13 . 1 . 1 5 5 ALA N N 15 132.929 . . . . . . . . 5 A N . 52156 1 14 . 1 . 1 7 7 ALA C C 13 177.300 . . . . . . . . 7 A C . 52156 1 15 . 1 . 1 7 7 ALA CA C 13 52.560 . . . . . . . . 7 A CA . 52156 1 16 . 1 . 1 7 7 ALA CB C 13 19.145 . . . . . . . . 7 A CB . 52156 1 17 . 1 . 1 8 8 ALA H H 1 8.262 . . . . . . . . 8 A HN . 52156 1 18 . 1 . 1 8 8 ALA C C 13 177.614 . . . . . . . . 8 A C . 52156 1 19 . 1 . 1 8 8 ALA CA C 13 52.471 . . . . . . . . 8 A CA . 52156 1 20 . 1 . 1 8 8 ALA CB C 13 19.086 . . . . . . . . 8 A CB . 52156 1 21 . 1 . 1 8 8 ALA N N 15 123.122 . . . . . . . . 8 A N . 52156 1 22 . 1 . 1 9 9 GLN H H 1 8.242 . . . . . . . . 9 Q HN . 52156 1 23 . 1 . 1 9 9 GLN C C 13 175.824 . . . . . . . . 9 Q C . 52156 1 24 . 1 . 1 9 9 GLN CA C 13 55.604 . . . . . . . . 9 Q CA . 52156 1 25 . 1 . 1 9 9 GLN CB C 13 29.555 . . . . . . . . 9 Q CB . 52156 1 26 . 1 . 1 9 9 GLN N N 15 119.421 . . . . . . . . 9 Q N . 52156 1 27 . 1 . 1 10 10 THR H H 1 8.179 . . . . . . . . 10 T HN . 52156 1 28 . 1 . 1 10 10 THR C C 13 172.702 . . . . . . . . 10 T C . 52156 1 29 . 1 . 1 10 10 THR CA C 13 59.979 . . . . . . . . 10 T CA . 52156 1 30 . 1 . 1 10 10 THR CB C 13 69.715 . . . . . . . . 10 T CB . 52156 1 31 . 1 . 1 10 10 THR N N 15 118.313 . . . . . . . . 10 T N . 52156 1 32 . 1 . 1 11 11 PRO C C 13 176.585 . . . . . . . . 11 P C . 52156 1 33 . 1 . 1 11 11 PRO CA C 13 63.218 . . . . . . . . 11 P CA . 52156 1 34 . 1 . 1 11 11 PRO CB C 13 32.090 . . . . . . . . 11 P CB . 52156 1 35 . 1 . 1 12 12 ALA H H 1 8.320 . . . . . . . . 12 A HN . 52156 1 36 . 1 . 1 12 12 ALA C C 13 177.508 . . . . . . . . 12 A C . 52156 1 37 . 1 . 1 12 12 ALA CA C 13 52.412 . . . . . . . . 12 A CA . 52156 1 38 . 1 . 1 12 12 ALA CB C 13 19.138 . . . . . . . . 12 A CB . 52156 1 39 . 1 . 1 12 12 ALA N N 15 124.547 . . . . . . . . 12 A N . 52156 1 40 . 1 . 1 13 13 ALA H H 1 8.217 . . . . . . . . 13 A HN . 52156 1 41 . 1 . 1 13 13 ALA C C 13 177.529 . . . . . . . . 13 A C . 52156 1 42 . 1 . 1 13 13 ALA CA C 13 52.326 . . . . . . . . 13 A CA . 52156 1 43 . 1 . 1 13 13 ALA CB C 13 19.209 . . . . . . . . 13 A CB . 52156 1 44 . 1 . 1 13 13 ALA N N 15 123.229 . . . . . . . . 13 A N . 52156 1 45 . 1 . 1 14 14 GLN H H 1 8.270 . . . . . . . . 14 Q HN . 52156 1 46 . 1 . 1 14 14 GLN C C 13 175.900 . . . . . . . . 14 Q C . 52156 1 47 . 1 . 1 14 14 GLN CA C 13 55.583 . . . . . . . . 14 Q CA . 52156 1 48 . 1 . 1 14 14 GLN CB C 13 29.715 . . . . . . . . 14 Q CB . 52156 1 49 . 1 . 1 14 14 GLN N N 15 119.746 . . . . . . . . 14 Q N . 52156 1 50 . 1 . 1 15 15 GLU H H 1 8.390 . . . . . . . . 15 E HN . 52156 1 51 . 1 . 1 15 15 GLU C C 13 176.238 . . . . . . . . 15 E C . 52156 1 52 . 1 . 1 15 15 GLU CA C 13 56.017 . . . . . . . . 15 E CA . 52156 1 53 . 1 . 1 15 15 GLU CB C 13 31.446 . . . . . . . . 15 E CB . 52156 1 54 . 1 . 1 15 15 GLU N N 15 122.052 . . . . . . . . 15 E N . 52156 1 55 . 1 . 1 16 16 THR H H 1 8.810 . . . . . . . . 16 T HN . 52156 1 56 . 1 . 1 16 16 THR C C 13 174.734 . . . . . . . . 16 T C . 52156 1 57 . 1 . 1 16 16 THR CA C 13 62.538 . . . . . . . . 16 T CA . 52156 1 58 . 1 . 1 16 16 THR CB C 13 69.323 . . . . . . . . 16 T CB . 52156 1 59 . 1 . 1 16 16 THR N N 15 120.705 . . . . . . . . 16 T N . 52156 1 60 . 1 . 1 17 17 THR H H 1 8.221 . . . . . . . . 17 T HN . 52156 1 61 . 1 . 1 17 17 THR C C 13 173.650 . . . . . . . . 17 T C . 52156 1 62 . 1 . 1 17 17 THR CA C 13 59.727 . . . . . . . . 17 T CA . 52156 1 63 . 1 . 1 17 17 THR CB C 13 72.652 . . . . . . . . 17 T CB . 52156 1 64 . 1 . 1 17 17 THR N N 15 116.087 . . . . . . . . 17 T N . 52156 1 65 . 1 . 1 18 18 LYS H H 1 9.201 . . . . . . . . 18 K HN . 52156 1 66 . 1 . 1 18 18 LYS C C 13 173.451 . . . . . . . . 18 K C . 52156 1 67 . 1 . 1 18 18 LYS CA C 13 54.535 . . . . . . . . 18 K CA . 52156 1 68 . 1 . 1 18 18 LYS CB C 13 34.464 . . . . . . . . 18 K CB . 52156 1 69 . 1 . 1 18 18 LYS N N 15 116.741 . . . . . . . . 18 K N . 52156 1 70 . 1 . 1 19 19 ASN H H 1 8.520 . . . . . . . . 19 N HN . 52156 1 71 . 1 . 1 19 19 ASN C C 13 175.687 . . . . . . . . 19 N C . 52156 1 72 . 1 . 1 19 19 ASN CA C 13 52.262 . . . . . . . . 19 N CA . 52156 1 73 . 1 . 1 19 19 ASN CB C 13 39.279 . . . . . . . . 19 N CB . 52156 1 74 . 1 . 1 19 19 ASN N N 15 119.810 . . . . . . . . 19 N N . 52156 1 75 . 1 . 1 20 20 VAL H H 1 8.938 . . . . . . . . 20 V HN . 52156 1 76 . 1 . 1 20 20 VAL C C 13 173.945 . . . . . . . . 20 V C . 52156 1 77 . 1 . 1 20 20 VAL CA C 13 58.571 . . . . . . . . 20 V CA . 52156 1 78 . 1 . 1 20 20 VAL CB C 13 35.189 . . . . . . . . 20 V CB . 52156 1 79 . 1 . 1 20 20 VAL N N 15 115.932 . . . . . . . . 20 V N . 52156 1 80 . 1 . 1 21 21 THR H H 1 8.298 . . . . . . . . 21 T HN . 52156 1 81 . 1 . 1 21 21 THR C C 13 174.224 . . . . . . . . 21 T C . 52156 1 82 . 1 . 1 21 21 THR CA C 13 61.583 . . . . . . . . 21 T CA . 52156 1 83 . 1 . 1 21 21 THR CB C 13 69.540 . . . . . . . . 21 T CB . 52156 1 84 . 1 . 1 21 21 THR N N 15 117.067 . . . . . . . . 21 T N . 52156 1 85 . 1 . 1 22 22 ILE H H 1 8.770 . . . . . . . . 22 I HN . 52156 1 86 . 1 . 1 22 22 ILE C C 13 176.953 . . . . . . . . 22 I C . 52156 1 87 . 1 . 1 22 22 ILE CA C 13 60.400 . . . . . . . . 22 I CA . 52156 1 88 . 1 . 1 22 22 ILE CB C 13 35.825 . . . . . . . . 22 I CB . 52156 1 89 . 1 . 1 22 22 ILE N N 15 127.551 . . . . . . . . 22 I N . 52156 1 90 . 1 . 1 23 23 MET H H 1 8.351 . . . . . . . . 23 M HN . 52156 1 91 . 1 . 1 23 23 MET C C 13 174.942 . . . . . . . . 23 M C . 52156 1 92 . 1 . 1 23 23 MET CA C 13 53.322 . . . . . . . . 23 M CA . 52156 1 93 . 1 . 1 23 23 MET CB C 13 31.782 . . . . . . . . 23 M CB . 52156 1 94 . 1 . 1 23 23 MET N N 15 125.099 . . . . . . . . 23 M N . 52156 1 95 . 1 . 1 24 24 HIS H H 1 7.409 . . . . . . . . 24 H HN . 52156 1 96 . 1 . 1 24 24 HIS C C 13 171.835 . . . . . . . . 24 H C . 52156 1 97 . 1 . 1 24 24 HIS CA C 13 55.778 . . . . . . . . 24 H CA . 52156 1 98 . 1 . 1 24 24 HIS CB C 13 31.859 . . . . . . . . 24 H CB . 52156 1 99 . 1 . 1 24 24 HIS N N 15 118.243 . . . . . . . . 24 H N . 52156 1 100 . 1 . 1 25 25 ILE C C 13 176.380 . . . . . . . . 25 I C . 52156 1 101 . 1 . 1 25 25 ILE CA C 13 62.841 . . . . . . . . 25 I CA . 52156 1 102 . 1 . 1 25 25 ILE CB C 13 37.929 . . . . . . . . 25 I CB . 52156 1 103 . 1 . 1 26 26 SER H H 1 9.001 . . . . . . . . 26 S HN . 52156 1 104 . 1 . 1 26 26 SER C C 13 172.460 . . . . . . . . 26 S C . 52156 1 105 . 1 . 1 26 26 SER CA C 13 58.318 . . . . . . . . 26 S CA . 52156 1 106 . 1 . 1 26 26 SER CB C 13 66.855 . . . . . . . . 26 S CB . 52156 1 107 . 1 . 1 26 26 SER N N 15 124.570 . . . . . . . . 26 S N . 52156 1 108 . 1 . 1 27 27 THR H H 1 8.400 . . . . . . . . 27 T HN . 52156 1 109 . 1 . 1 27 27 THR C C 13 171.743 . . . . . . . . 27 T C . 52156 1 110 . 1 . 1 27 27 THR CA C 13 64.186 . . . . . . . . 27 T CA . 52156 1 111 . 1 . 1 27 27 THR CB C 13 70.316 . . . . . . . . 27 T CB . 52156 1 112 . 1 . 1 27 27 THR N N 15 125.420 . . . . . . . . 27 T N . 52156 1 113 . 1 . 1 28 28 ILE H H 1 8.731 . . . . . . . . 28 I HN . 52156 1 114 . 1 . 1 28 28 ILE C C 13 175.946 . . . . . . . . 28 I C . 52156 1 115 . 1 . 1 28 28 ILE CA C 13 60.153 . . . . . . . . 28 I CA . 52156 1 116 . 1 . 1 28 28 ILE CB C 13 36.737 . . . . . . . . 28 I CB . 52156 1 117 . 1 . 1 28 28 ILE N N 15 125.782 . . . . . . . . 28 I N . 52156 1 118 . 1 . 1 29 29 TYR H H 1 10.031 . . . . . . . . 29 Y HN . 52156 1 119 . 1 . 1 29 29 TYR C C 13 175.299 . . . . . . . . 29 Y C . 52156 1 120 . 1 . 1 29 29 TYR CA C 13 57.391 . . . . . . . . 29 Y CA . 52156 1 121 . 1 . 1 29 29 TYR CB C 13 40.966 . . . . . . . . 29 Y CB . 52156 1 122 . 1 . 1 29 29 TYR N N 15 130.728 . . . . . . . . 29 Y N . 52156 1 123 . 1 . 1 30 30 ASP H H 1 8.681 . . . . . . . . 30 D HN . 52156 1 124 . 1 . 1 30 30 ASP C C 13 177.246 . . . . . . . . 30 D C . 52156 1 125 . 1 . 1 30 30 ASP CA C 13 51.749 . . . . . . . . 30 D CA . 52156 1 126 . 1 . 1 30 30 ASP CB C 13 41.999 . . . . . . . . 30 D CB . 52156 1 127 . 1 . 1 30 30 ASP N N 15 119.352 . . . . . . . . 30 D N . 52156 1 128 . 1 . 1 31 31 LYS H H 1 8.442 . . . . . . . . 31 K HN . 52156 1 129 . 1 . 1 31 31 LYS C C 13 175.984 . . . . . . . . 31 K C . 52156 1 130 . 1 . 1 31 31 LYS CA C 13 57.916 . . . . . . . . 31 K CA . 52156 1 131 . 1 . 1 31 31 LYS CB C 13 31.833 . . . . . . . . 31 K CB . 52156 1 132 . 1 . 1 31 31 LYS N N 15 113.705 . . . . . . . . 31 K N . 52156 1 133 . 1 . 1 32 32 THR H H 1 8.385 . . . . . . . . 32 T HN . 52156 1 134 . 1 . 1 32 32 THR C C 13 175.606 . . . . . . . . 32 T C . 52156 1 135 . 1 . 1 32 32 THR CA C 13 60.827 . . . . . . . . 32 T CA . 52156 1 136 . 1 . 1 32 32 THR CB C 13 69.525 . . . . . . . . 32 T CB . 52156 1 137 . 1 . 1 32 32 THR N N 15 109.909 . . . . . . . . 32 T N . 52156 1 138 . 1 . 1 33 33 GLY H H 1 8.378 . . . . . . . . 33 G HN . 52156 1 139 . 1 . 1 33 33 GLY C C 13 173.023 . . . . . . . . 33 G C . 52156 1 140 . 1 . 1 33 33 GLY CA C 13 45.173 . . . . . . . . 33 G CA . 52156 1 141 . 1 . 1 33 33 GLY N N 15 110.805 . . . . . . . . 33 G N . 52156 1 142 . 1 . 1 34 34 LYS H H 1 7.737 . . . . . . . . 34 K HN . 52156 1 143 . 1 . 1 34 34 LYS C C 13 176.217 . . . . . . . . 34 K C . 52156 1 144 . 1 . 1 34 34 LYS CA C 13 55.048 . . . . . . . . 34 K CA . 52156 1 145 . 1 . 1 34 34 LYS CB C 13 33.410 . . . . . . . . 34 K CB . 52156 1 146 . 1 . 1 34 34 LYS N N 15 121.993 . . . . . . . . 34 K N . 52156 1 147 . 1 . 1 35 35 ALA H H 1 8.814 . . . . . . . . 35 A HN . 52156 1 148 . 1 . 1 35 35 ALA C C 13 178.092 . . . . . . . . 35 A C . 52156 1 149 . 1 . 1 35 35 ALA CA C 13 53.551 . . . . . . . . 35 A CA . 52156 1 150 . 1 . 1 35 35 ALA CB C 13 18.819 . . . . . . . . 35 A CB . 52156 1 151 . 1 . 1 35 35 ALA N N 15 127.192 . . . . . . . . 35 A N . 52156 1 152 . 1 . 1 36 36 THR H H 1 8.348 . . . . . . . . 36 T HN . 52156 1 153 . 1 . 1 36 36 THR C C 13 174.877 . . . . . . . . 36 T C . 52156 1 154 . 1 . 1 36 36 THR CA C 13 60.565 . . . . . . . . 36 T CA . 52156 1 155 . 1 . 1 36 36 THR CB C 13 71.909 . . . . . . . . 36 T CB . 52156 1 156 . 1 . 1 36 36 THR N N 15 113.489 . . . . . . . . 36 T N . 52156 1 157 . 1 . 1 37 37 ASN H H 1 8.687 . . . . . . . . 37 N HN . 52156 1 158 . 1 . 1 37 37 ASN C C 13 175.838 . . . . . . . . 37 N C . 52156 1 159 . 1 . 1 37 37 ASN CA C 13 52.405 . . . . . . . . 37 N CA . 52156 1 160 . 1 . 1 37 37 ASN CB C 13 38.142 . . . . . . . . 37 N CB . 52156 1 161 . 1 . 1 37 37 ASN N N 15 117.530 . . . . . . . . 37 N N . 52156 1 162 . 1 . 1 38 38 GLU H H 1 7.538 . . . . . . . . 38 E HN . 52156 1 163 . 1 . 1 38 38 GLU C C 13 174.314 . . . . . . . . 38 E C . 52156 1 164 . 1 . 1 38 38 GLU CA C 13 54.999 . . . . . . . . 38 E CA . 52156 1 165 . 1 . 1 38 38 GLU CB C 13 28.870 . . . . . . . . 38 E CB . 52156 1 166 . 1 . 1 38 38 GLU N N 15 120.556 . . . . . . . . 38 E N . 52156 1 167 . 1 . 1 41 41 LEU C C 13 176.352 . . . . . . . . 41 L C . 52156 1 168 . 1 . 1 41 41 LEU CA C 13 54.296 . . . . . . . . 41 L CA . 52156 1 169 . 1 . 1 41 41 LEU CB C 13 42.582 . . . . . . . . 41 L CB . 52156 1 170 . 1 . 1 42 42 ARG H H 1 8.474 . . . . . . . . 42 R HN . 52156 1 171 . 1 . 1 42 42 ARG C C 13 175.714 . . . . . . . . 42 R C . 52156 1 172 . 1 . 1 42 42 ARG CA C 13 55.492 . . . . . . . . 42 R CA . 52156 1 173 . 1 . 1 42 42 ARG CB C 13 30.947 . . . . . . . . 42 R CB . 52156 1 174 . 1 . 1 42 42 ARG N N 15 121.839 . . . . . . . . 42 R N . 52156 1 175 . 1 . 1 43 43 ALA H H 1 7.814 . . . . . . . . 43 A HN . 52156 1 176 . 1 . 1 43 43 ALA C C 13 177.479 . . . . . . . . 43 A C . 52156 1 177 . 1 . 1 43 43 ALA CA C 13 53.562 . . . . . . . . 43 A CA . 52156 1 178 . 1 . 1 43 43 ALA CB C 13 16.734 . . . . . . . . 43 A CB . 52156 1 179 . 1 . 1 43 43 ALA N N 15 119.704 . . . . . . . . 43 A N . 52156 1 180 . 1 . 1 44 44 TYR H H 1 9.048 . . . . . . . . 44 Y HN . 52156 1 181 . 1 . 1 44 44 TYR C C 13 175.816 . . . . . . . . 44 Y C . 52156 1 182 . 1 . 1 44 44 TYR CA C 13 58.103 . . . . . . . . 44 Y CA . 52156 1 183 . 1 . 1 44 44 TYR CB C 13 34.483 . . . . . . . . 44 Y CB . 52156 1 184 . 1 . 1 44 44 TYR N N 15 116.365 . . . . . . . . 44 Y N . 52156 1 185 . 1 . 1 45 45 ASP H H 1 7.602 . . . . . . . . 45 D HN . 52156 1 186 . 1 . 1 45 45 ASP C C 13 175.115 . . . . . . . . 45 D C . 52156 1 187 . 1 . 1 45 45 ASP CA C 13 54.734 . . . . . . . . 45 D CA . 52156 1 188 . 1 . 1 45 45 ASP CB C 13 41.216 . . . . . . . . 45 D CB . 52156 1 189 . 1 . 1 45 45 ASP N N 15 121.842 . . . . . . . . 45 D N . 52156 1 190 . 1 . 1 46 46 THR H H 1 8.358 . . . . . . . . 46 T HN . 52156 1 191 . 1 . 1 46 46 THR C C 13 174.368 . . . . . . . . 46 T C . 52156 1 192 . 1 . 1 46 46 THR CA C 13 60.908 . . . . . . . . 46 T CA . 52156 1 193 . 1 . 1 46 46 THR CB C 13 70.453 . . . . . . . . 46 T CB . 52156 1 194 . 1 . 1 46 46 THR N N 15 115.156 . . . . . . . . 46 T N . 52156 1 195 . 1 . 1 47 47 VAL H H 1 8.670 . . . . . . . . 47 V HN . 52156 1 196 . 1 . 1 47 47 VAL C C 13 173.037 . . . . . . . . 47 V C . 52156 1 197 . 1 . 1 47 47 VAL CA C 13 59.452 . . . . . . . . 47 V CA . 52156 1 198 . 1 . 1 47 47 VAL CB C 13 36.004 . . . . . . . . 47 V CB . 52156 1 199 . 1 . 1 47 47 VAL N N 15 120.336 . . . . . . . . 47 V N . 52156 1 200 . 1 . 1 48 48 SER H H 1 8.129 . . . . . . . . 48 S HN . 52156 1 201 . 1 . 1 48 48 SER C C 13 175.582 . . . . . . . . 48 S C . 52156 1 202 . 1 . 1 48 48 SER CA C 13 56.830 . . . . . . . . 48 S CA . 52156 1 203 . 1 . 1 48 48 SER CB C 13 63.596 . . . . . . . . 48 S CB . 52156 1 204 . 1 . 1 48 48 SER N N 15 117.193 . . . . . . . . 48 S N . 52156 1 205 . 1 . 1 49 49 VAL H H 1 9.156 . . . . . . . . 49 V HN . 52156 1 206 . 1 . 1 49 49 VAL C C 13 175.283 . . . . . . . . 49 V C . 52156 1 207 . 1 . 1 49 49 VAL CA C 13 57.894 . . . . . . . . 49 V CA . 52156 1 208 . 1 . 1 49 49 VAL CB C 13 35.347 . . . . . . . . 49 V CB . 52156 1 209 . 1 . 1 49 49 VAL N N 15 120.146 . . . . . . . . 49 V N . 52156 1 210 . 1 . 1 50 50 VAL H H 1 8.991 . . . . . . . . 50 V HN . 52156 1 211 . 1 . 1 50 50 VAL C C 13 179.409 . . . . . . . . 50 V C . 52156 1 212 . 1 . 1 50 50 VAL CA C 13 64.418 . . . . . . . . 50 V CA . 52156 1 213 . 1 . 1 50 50 VAL CB C 13 30.945 . . . . . . . . 50 V CB . 52156 1 214 . 1 . 1 50 50 VAL N N 15 123.574 . . . . . . . . 50 V N . 52156 1 215 . 1 . 1 51 51 SER H H 1 8.732 . . . . . . . . 51 S HN . 52156 1 216 . 1 . 1 51 51 SER C C 13 179.400 . . . . . . . . 51 S C . 52156 1 217 . 1 . 1 51 51 SER CA C 13 63.207 . . . . . . . . 51 S CA . 52156 1 218 . 1 . 1 51 51 SER CB C 13 30.972 . . . . . . . . 51 S CB . 52156 1 219 . 1 . 1 51 51 SER N N 15 122.988 . . . . . . . . 51 S N . 52156 1 220 . 1 . 1 52 52 ASP H H 1 7.411 . . . . . . . . 52 D HN . 52156 1 221 . 1 . 1 52 52 ASP C C 13 174.498 . . . . . . . . 52 D C . 52156 1 222 . 1 . 1 52 52 ASP CA C 13 51.455 . . . . . . . . 52 D CA . 52156 1 223 . 1 . 1 52 52 ASP CB C 13 41.274 . . . . . . . . 52 D CB . 52156 1 224 . 1 . 1 52 52 ASP N N 15 118.492 . . . . . . . . 52 D N . 52156 1 225 . 1 . 1 53 53 PRO C C 13 175.919 . . . . . . . . 53 P C . 52156 1 226 . 1 . 1 53 53 PRO CA C 13 62.969 . . . . . . . . 53 P CA . 52156 1 227 . 1 . 1 53 53 PRO CB C 13 33.072 . . . . . . . . 53 P CB . 52156 1 228 . 1 . 1 54 54 VAL H H 1 9.364 . . . . . . . . 54 V HN . 52156 1 229 . 1 . 1 54 54 VAL C C 13 175.062 . . . . . . . . 54 V C . 52156 1 230 . 1 . 1 54 54 VAL CA C 13 59.968 . . . . . . . . 54 V CA . 52156 1 231 . 1 . 1 54 54 VAL CB C 13 34.603 . . . . . . . . 54 V CB . 52156 1 232 . 1 . 1 54 54 VAL N N 15 118.544 . . . . . . . . 54 V N . 52156 1 233 . 1 . 1 55 55 THR H H 1 8.591 . . . . . . . . 55 T HN . 52156 1 234 . 1 . 1 55 55 THR C C 13 174.650 . . . . . . . . 55 T C . 52156 1 235 . 1 . 1 55 55 THR CA C 13 61.950 . . . . . . . . 55 T CA . 52156 1 236 . 1 . 1 55 55 THR CB C 13 69.166 . . . . . . . . 55 T CB . 52156 1 237 . 1 . 1 55 55 THR N N 15 120.252 . . . . . . . . 55 T N . 52156 1 238 . 1 . 1 56 56 ILE H H 1 9.200 . . . . . . . . 56 I HN . 52156 1 239 . 1 . 1 56 56 ILE C C 13 175.800 . . . . . . . . 56 I C . 52156 1 240 . 1 . 1 56 56 ILE CA C 13 61.120 . . . . . . . . 56 I CA . 52156 1 241 . 1 . 1 56 56 ILE CB C 13 39.909 . . . . . . . . 56 I CB . 52156 1 242 . 1 . 1 56 56 ILE N N 15 128.464 . . . . . . . . 56 I N . 52156 1 243 . 1 . 1 57 57 ASN H H 1 9.248 . . . . . . . . 57 N HN . 52156 1 244 . 1 . 1 57 57 ASN C C 13 174.677 . . . . . . . . 57 N C . 52156 1 245 . 1 . 1 57 57 ASN CA C 13 54.414 . . . . . . . . 57 N CA . 52156 1 246 . 1 . 1 57 57 ASN CB C 13 36.861 . . . . . . . . 57 N CB . 52156 1 247 . 1 . 1 57 57 ASN N N 15 126.486 . . . . . . . . 57 N N . 52156 1 248 . 1 . 1 58 58 ASN H H 1 8.553 . . . . . . . . 58 N HN . 52156 1 249 . 1 . 1 58 58 ASN C C 13 172.983 . . . . . . . . 58 N C . 52156 1 250 . 1 . 1 58 58 ASN CA C 13 54.746 . . . . . . . . 58 N CA . 52156 1 251 . 1 . 1 58 58 ASN CB C 13 38.077 . . . . . . . . 58 N CB . 52156 1 252 . 1 . 1 58 58 ASN N N 15 109.601 . . . . . . . . 58 N N . 52156 1 253 . 1 . 1 59 59 ALA H H 1 7.921 . . . . . . . . 59 A HN . 52156 1 254 . 1 . 1 59 59 ALA C C 13 174.867 . . . . . . . . 59 A C . 52156 1 255 . 1 . 1 59 59 ALA CA C 13 50.695 . . . . . . . . 59 A CA . 52156 1 256 . 1 . 1 59 59 ALA CB C 13 21.866 . . . . . . . . 59 A CB . 52156 1 257 . 1 . 1 59 59 ALA N N 15 123.249 . . . . . . . . 59 A N . 52156 1 258 . 1 . 1 60 60 LYS H H 1 7.992 . . . . . . . . 60 K HN . 52156 1 259 . 1 . 1 60 60 LYS C C 13 176.554 . . . . . . . . 60 K C . 52156 1 260 . 1 . 1 60 60 LYS CA C 13 55.465 . . . . . . . . 60 K CA . 52156 1 261 . 1 . 1 60 60 LYS CB C 13 34.102 . . . . . . . . 60 K CB . 52156 1 262 . 1 . 1 60 60 LYS N N 15 117.946 . . . . . . . . 60 K N . 52156 1 263 . 1 . 1 61 61 PHE H H 1 9.336 . . . . . . . . 61 F HN . 52156 1 264 . 1 . 1 61 61 PHE C C 13 175.766 . . . . . . . . 61 F C . 52156 1 265 . 1 . 1 61 61 PHE CA C 13 56.631 . . . . . . . . 61 F CA . 52156 1 266 . 1 . 1 61 61 PHE CB C 13 43.593 . . . . . . . . 61 F CB . 52156 1 267 . 1 . 1 61 61 PHE N N 15 122.199 . . . . . . . . 61 F N . 52156 1 268 . 1 . 1 62 62 TYR H H 1 9.618 . . . . . . . . 62 Y HN . 52156 1 269 . 1 . 1 62 62 TYR C C 13 175.850 . . . . . . . . 62 Y C . 52156 1 270 . 1 . 1 62 62 TYR CA C 13 57.923 . . . . . . . . 62 Y CA . 52156 1 271 . 1 . 1 62 62 TYR CB C 13 40.694 . . . . . . . . 62 Y CB . 52156 1 272 . 1 . 1 62 62 TYR N N 15 118.109 . . . . . . . . 62 Y N . 52156 1 273 . 1 . 1 63 63 LYS H H 1 9.805 . . . . . . . . 63 K HN . 52156 1 274 . 1 . 1 63 63 LYS C C 13 176.536 . . . . . . . . 63 K C . 52156 1 275 . 1 . 1 63 63 LYS CA C 13 54.521 . . . . . . . . 63 K CA . 52156 1 276 . 1 . 1 63 63 LYS CB C 13 34.092 . . . . . . . . 63 K CB . 52156 1 277 . 1 . 1 63 63 LYS N N 15 125.003 . . . . . . . . 63 K N . 52156 1 278 . 1 . 1 64 64 LEU H H 1 8.591 . . . . . . . . 64 L HN . 52156 1 279 . 1 . 1 64 64 LEU C C 13 176.799 . . . . . . . . 64 L C . 52156 1 280 . 1 . 1 64 64 LEU CA C 13 56.035 . . . . . . . . 64 L CA . 52156 1 281 . 1 . 1 64 64 LEU CB C 13 41.140 . . . . . . . . 64 L CB . 52156 1 282 . 1 . 1 64 64 LEU N N 15 128.265 . . . . . . . . 64 L N . 52156 1 283 . 1 . 1 65 65 ALA H H 1 8.174 . . . . . . . . 65 A HN . 52156 1 284 . 1 . 1 65 65 ALA C C 13 179.797 . . . . . . . . 65 A C . 52156 1 285 . 1 . 1 65 65 ALA CA C 13 53.273 . . . . . . . . 65 A CA . 52156 1 286 . 1 . 1 65 65 ALA CB C 13 18.725 . . . . . . . . 65 A CB . 52156 1 287 . 1 . 1 65 65 ALA N N 15 125.154 . . . . . . . . 65 A N . 52156 1 288 . 1 . 1 66 66 GLY H H 1 9.707 . . . . . . . . 66 G HN . 52156 1 289 . 1 . 1 66 66 GLY C C 13 173.450 . . . . . . . . 66 G C . 52156 1 290 . 1 . 1 66 66 GLY CA C 13 45.865 . . . . . . . . 66 G CA . 52156 1 291 . 1 . 1 66 66 GLY N N 15 111.489 . . . . . . . . 66 G N . 52156 1 292 . 1 . 1 67 67 LYS H H 1 7.361 . . . . . . . . 67 K HN . 52156 1 293 . 1 . 1 67 67 LYS C C 13 175.329 . . . . . . . . 67 K C . 52156 1 294 . 1 . 1 67 67 LYS CA C 13 54.410 . . . . . . . . 67 K CA . 52156 1 295 . 1 . 1 67 67 LYS CB C 13 37.289 . . . . . . . . 67 K CB . 52156 1 296 . 1 . 1 67 67 LYS N N 15 117.346 . . . . . . . . 67 K N . 52156 1 297 . 1 . 1 68 68 ASP H H 1 8.740 . . . . . . . . 68 D HN . 52156 1 298 . 1 . 1 68 68 ASP C C 13 175.428 . . . . . . . . 68 D C . 52156 1 299 . 1 . 1 68 68 ASP CA C 13 52.702 . . . . . . . . 68 D CA . 52156 1 300 . 1 . 1 68 68 ASP CB C 13 39.346 . . . . . . . . 68 D CB . 52156 1 301 . 1 . 1 68 68 ASP N N 15 125.200 . . . . . . . . 68 D N . 52156 1 302 . 1 . 1 69 69 GLN H H 1 7.071 . . . . . . . . 69 Q HN . 52156 1 303 . 1 . 1 69 69 GLN C C 13 173.735 . . . . . . . . 69 Q C . 52156 1 304 . 1 . 1 69 69 GLN CA C 13 54.782 . . . . . . . . 69 Q CA . 52156 1 305 . 1 . 1 69 69 GLN CB C 13 34.515 . . . . . . . . 69 Q CB . 52156 1 306 . 1 . 1 69 69 GLN N N 15 118.541 . . . . . . . . 69 Q N . 52156 1 307 . 1 . 1 70 70 TYR H H 1 8.892 . . . . . . . . 70 Y HN . 52156 1 308 . 1 . 1 70 70 TYR C C 13 175.291 . . . . . . . . 70 Y C . 52156 1 309 . 1 . 1 70 70 TYR CA C 13 57.396 . . . . . . . . 70 Y CA . 52156 1 310 . 1 . 1 70 70 TYR CB C 13 41.337 . . . . . . . . 70 Y CB . 52156 1 311 . 1 . 1 70 70 TYR N N 15 119.986 . . . . . . . . 70 Y N . 52156 1 312 . 1 . 1 71 71 ILE H H 1 9.430 . . . . . . . . 71 I HN . 52156 1 313 . 1 . 1 71 71 ILE C C 13 175.698 . . . . . . . . 71 I C . 52156 1 314 . 1 . 1 71 71 ILE CA C 13 59.078 . . . . . . . . 71 I CA . 52156 1 315 . 1 . 1 71 71 ILE CB C 13 42.838 . . . . . . . . 71 I CB . 52156 1 316 . 1 . 1 71 71 ILE N N 15 113.384 . . . . . . . . 71 I N . 52156 1 317 . 1 . 1 72 72 LYS C C 13 178.808 . . . . . . . . 72 K C . 52156 1 318 . 1 . 1 72 72 LYS CA C 13 58.498 . . . . . . . . 72 K CA . 52156 1 319 . 1 . 1 73 73 VAL H H 1 7.294 . . . . . . . . 73 V HN . 52156 1 320 . 1 . 1 73 73 VAL C C 13 179.530 . . . . . . . . 73 V C . 52156 1 321 . 1 . 1 73 73 VAL CA C 13 65.537 . . . . . . . . 73 V CA . 52156 1 322 . 1 . 1 73 73 VAL CB C 13 31.376 . . . . . . . . 73 V CB . 52156 1 323 . 1 . 1 73 73 VAL N N 15 116.999 . . . . . . . . 73 V N . 52156 1 324 . 1 . 1 74 74 GLY H H 1 9.018 . . . . . . . . 74 G HN . 52156 1 325 . 1 . 1 74 74 GLY C C 13 174.921 . . . . . . . . 74 G C . 52156 1 326 . 1 . 1 74 74 GLY CA C 13 46.819 . . . . . . . . 74 G CA . 52156 1 327 . 1 . 1 74 74 GLY N N 15 109.617 . . . . . . . . 74 G N . 52156 1 328 . 1 . 1 75 75 ASN H H 1 7.204 . . . . . . . . 75 N HN . 52156 1 329 . 1 . 1 75 75 ASN C C 13 173.263 . . . . . . . . 75 N C . 52156 1 330 . 1 . 1 75 75 ASN CA C 13 54.403 . . . . . . . . 75 N CA . 52156 1 331 . 1 . 1 75 75 ASN CB C 13 39.924 . . . . . . . . 75 N CB . 52156 1 332 . 1 . 1 75 75 ASN N N 15 115.971 . . . . . . . . 75 N N . 52156 1 333 . 1 . 1 76 76 VAL H H 1 7.947 . . . . . . . . 76 V HN . 52156 1 334 . 1 . 1 76 76 VAL C C 13 174.929 . . . . . . . . 76 V C . 52156 1 335 . 1 . 1 76 76 VAL CA C 13 64.207 . . . . . . . . 76 V CA . 52156 1 336 . 1 . 1 76 76 VAL N N 15 117.965 . . . . . . . . 76 V N . 52156 1 337 . 1 . 1 77 77 ASP H H 1 8.606 . . . . . . . . 77 D HN . 52156 1 338 . 1 . 1 77 77 ASP C C 13 177.902 . . . . . . . . 77 D C . 52156 1 339 . 1 . 1 77 77 ASP CA C 13 55.487 . . . . . . . . 77 D CA . 52156 1 340 . 1 . 1 77 77 ASP CB C 13 30.111 . . . . . . . . 77 D CB . 52156 1 341 . 1 . 1 77 77 ASP N N 15 117.807 . . . . . . . . 77 D N . 52156 1 342 . 1 . 1 78 78 GLY H H 1 7.082 . . . . . . . . 78 G HN . 52156 1 343 . 1 . 1 78 78 GLY C C 13 172.465 . . . . . . . . 78 G C . 52156 1 344 . 1 . 1 78 78 GLY CA C 13 45.803 . . . . . . . . 78 G CA . 52156 1 345 . 1 . 1 78 78 GLY N N 15 103.813 . . . . . . . . 78 G N . 52156 1 346 . 1 . 1 79 79 THR H H 1 8.755 . . . . . . . . 79 T HN . 52156 1 347 . 1 . 1 79 79 THR C C 13 172.876 . . . . . . . . 79 T C . 52156 1 348 . 1 . 1 79 79 THR CA C 13 61.476 . . . . . . . . 79 T CA . 52156 1 349 . 1 . 1 79 79 THR CB C 13 72.053 . . . . . . . . 79 T CB . 52156 1 350 . 1 . 1 79 79 THR N N 15 116.444 . . . . . . . . 79 T N . 52156 1 351 . 1 . 1 80 80 SER H H 1 8.674 . . . . . . . . 80 S HN . 52156 1 352 . 1 . 1 80 80 SER C C 13 173.860 . . . . . . . . 80 S C . 52156 1 353 . 1 . 1 80 80 SER CA C 13 58.807 . . . . . . . . 80 S CA . 52156 1 354 . 1 . 1 80 80 SER CB C 13 62.649 . . . . . . . . 80 S CB . 52156 1 355 . 1 . 1 80 80 SER N N 15 122.618 . . . . . . . . 80 S N . 52156 1 356 . 1 . 1 81 81 ARG H H 1 8.679 . . . . . . . . 81 R HN . 52156 1 357 . 1 . 1 81 81 ARG C C 13 174.870 . . . . . . . . 81 R C . 52156 1 358 . 1 . 1 81 81 ARG CA C 13 54.868 . . . . . . . . 81 R CA . 52156 1 359 . 1 . 1 81 81 ARG CB C 13 35.498 . . . . . . . . 81 R CB . 52156 1 360 . 1 . 1 81 81 ARG N N 15 127.081 . . . . . . . . 81 R N . 52156 1 361 . 1 . 1 82 82 THR H H 1 9.128 . . . . . . . . 82 T HN . 52156 1 362 . 1 . 1 82 82 THR C C 13 174.567 . . . . . . . . 82 T C . 52156 1 363 . 1 . 1 82 82 THR CA C 13 62.114 . . . . . . . . 82 T CA . 52156 1 364 . 1 . 1 82 82 THR CB C 13 70.634 . . . . . . . . 82 T CB . 52156 1 365 . 1 . 1 82 82 THR N N 15 118.024 . . . . . . . . 82 T N . 52156 1 366 . 1 . 1 83 83 LEU H H 1 8.637 . . . . . . . . 83 L HN . 52156 1 367 . 1 . 1 83 83 LEU CA C 13 55.313 . . . . . . . . 83 L CA . 52156 1 368 . 1 . 1 83 83 LEU N N 15 126.819 . . . . . . . . 83 L N . 52156 1 369 . 1 . 1 86 86 ASN C C 13 175.826 . . . . . . . . 86 N C . 52156 1 370 . 1 . 1 86 86 ASN CA C 13 53.656 . . . . . . . . 86 N CA . 52156 1 371 . 1 . 1 86 86 ASN CB C 13 37.280 . . . . . . . . 86 N CB . 52156 1 372 . 1 . 1 87 87 SER H H 1 8.998 . . . . . . . . 87 S HN . 52156 1 373 . 1 . 1 87 87 SER C C 13 172.019 . . . . . . . . 87 S C . 52156 1 374 . 1 . 1 87 87 SER CA C 13 58.797 . . . . . . . . 87 S CA . 52156 1 375 . 1 . 1 87 87 SER CB C 13 67.602 . . . . . . . . 87 S CB . 52156 1 376 . 1 . 1 87 87 SER N N 15 116.968 . . . . . . . . 87 S N . 52156 1 377 . 1 . 1 88 88 TYR H H 1 8.388 . . . . . . . . 88 Y HN . 52156 1 378 . 1 . 1 88 88 TYR C C 13 173.625 . . . . . . . . 88 Y C . 52156 1 379 . 1 . 1 88 88 TYR CA C 13 54.210 . . . . . . . . 88 Y CA . 52156 1 380 . 1 . 1 88 88 TYR CB C 13 38.437 . . . . . . . . 88 Y CB . 52156 1 381 . 1 . 1 88 88 TYR N N 15 123.367 . . . . . . . . 88 Y N . 52156 1 382 . 1 . 1 89 89 VAL H H 1 8.604 . . . . . . . . 89 V HN . 52156 1 383 . 1 . 1 89 89 VAL C C 13 175.695 . . . . . . . . 89 V C . 52156 1 384 . 1 . 1 89 89 VAL CA C 13 61.297 . . . . . . . . 89 V CA . 52156 1 385 . 1 . 1 89 89 VAL CB C 13 32.841 . . . . . . . . 89 V CB . 52156 1 386 . 1 . 1 89 89 VAL N N 15 119.247 . . . . . . . . 89 V N . 52156 1 387 . 1 . 1 90 90 TYR H H 1 9.935 . . . . . . . . 90 Y HN . 52156 1 388 . 1 . 1 90 90 TYR C C 13 175.975 . . . . . . . . 90 Y C . 52156 1 389 . 1 . 1 90 90 TYR CA C 13 58.465 . . . . . . . . 90 Y CA . 52156 1 390 . 1 . 1 90 90 TYR CB C 13 41.680 . . . . . . . . 90 Y CB . 52156 1 391 . 1 . 1 90 90 TYR N N 15 126.568 . . . . . . . . 90 Y N . 52156 1 392 . 1 . 1 91 91 LYS H H 1 8.755 . . . . . . . . 91 K HN . 52156 1 393 . 1 . 1 91 91 LYS C C 13 178.938 . . . . . . . . 91 K C . 52156 1 394 . 1 . 1 91 91 LYS CA C 13 55.428 . . . . . . . . 91 K CA . 52156 1 395 . 1 . 1 91 91 LYS N N 15 118.249 . . . . . . . . 91 K N . 52156 1 396 . 1 . 1 92 92 SER H H 1 9.395 . . . . . . . . 92 S HN . 52156 1 397 . 1 . 1 92 92 SER C C 13 174.105 . . . . . . . . 92 S C . 52156 1 398 . 1 . 1 92 92 SER CA C 13 61.402 . . . . . . . . 92 S CA . 52156 1 399 . 1 . 1 92 92 SER CB C 13 62.405 . . . . . . . . 92 S CB . 52156 1 400 . 1 . 1 92 92 SER N N 15 115.471 . . . . . . . . 92 S N . 52156 1 401 . 1 . 1 93 93 SER H H 1 7.317 . . . . . . . . 93 S HN . 52156 1 402 . 1 . 1 93 93 SER C C 13 176.346 . . . . . . . . 93 S C . 52156 1 403 . 1 . 1 93 93 SER CA C 13 57.657 . . . . . . . . 93 S CA . 52156 1 404 . 1 . 1 93 93 SER CB C 13 64.784 . . . . . . . . 93 S CB . 52156 1 405 . 1 . 1 93 93 SER N N 15 112.189 . . . . . . . . 93 S N . 52156 1 406 . 1 . 1 94 94 GLY H H 1 8.448 . . . . . . . . 94 G HN . 52156 1 407 . 1 . 1 94 94 GLY C C 13 173.085 . . . . . . . . 94 G C . 52156 1 408 . 1 . 1 94 94 GLY CA C 13 45.215 . . . . . . . . 94 G CA . 52156 1 409 . 1 . 1 94 94 GLY N N 15 110.672 . . . . . . . . 94 G N . 52156 1 410 . 1 . 1 95 95 LYS H H 1 7.257 . . . . . . . . 95 K HN . 52156 1 411 . 1 . 1 95 95 LYS C C 13 176.528 . . . . . . . . 95 K C . 52156 1 412 . 1 . 1 95 95 LYS CA C 13 55.098 . . . . . . . . 95 K CA . 52156 1 413 . 1 . 1 95 95 LYS CB C 13 33.518 . . . . . . . . 95 K CB . 52156 1 414 . 1 . 1 95 95 LYS N N 15 118.681 . . . . . . . . 95 K N . 52156 1 415 . 1 . 1 96 96 ARG H H 1 8.923 . . . . . . . . 96 R HN . 52156 1 416 . 1 . 1 96 96 ARG C C 13 177.225 . . . . . . . . 96 R C . 52156 1 417 . 1 . 1 96 96 ARG CA C 13 57.407 . . . . . . . . 96 R CA . 52156 1 418 . 1 . 1 96 96 ARG CB C 13 30.309 . . . . . . . . 96 R CB . 52156 1 419 . 1 . 1 96 96 ARG N N 15 122.213 . . . . . . . . 96 R N . 52156 1 420 . 1 . 1 105 105 GLY H H 1 8.518 . . . . . . . . 105 G HN . 52156 1 421 . 1 . 1 105 105 GLY C C 13 174.054 . . . . . . . . 105 G C . 52156 1 422 . 1 . 1 105 105 GLY CA C 13 44.929 . . . . . . . . 105 G CA . 52156 1 423 . 1 . 1 105 105 GLY N N 15 114.450 . . . . . . . . 105 G N . 52156 1 424 . 1 . 1 106 106 SER H H 1 8.010 . . . . . . . . 106 S HN . 52156 1 425 . 1 . 1 106 106 SER C C 13 172.259 . . . . . . . . 106 S C . 52156 1 426 . 1 . 1 106 106 SER CA C 13 59.001 . . . . . . . . 106 S CA . 52156 1 427 . 1 . 1 106 106 SER CB C 13 64.425 . . . . . . . . 106 S CB . 52156 1 428 . 1 . 1 106 106 SER N N 15 116.862 . . . . . . . . 106 S N . 52156 1 429 . 1 . 1 107 107 SER H H 1 8.544 . . . . . . . . 107 S HN . 52156 1 430 . 1 . 1 107 107 SER C C 13 174.244 . . . . . . . . 107 S C . 52156 1 431 . 1 . 1 107 107 SER CA C 13 57.484 . . . . . . . . 107 S CA . 52156 1 432 . 1 . 1 107 107 SER CB C 13 64.392 . . . . . . . . 107 S CB . 52156 1 433 . 1 . 1 107 107 SER N N 15 116.144 . . . . . . . . 107 S N . 52156 1 434 . 1 . 1 108 108 VAL H H 1 9.144 . . . . . . . . 108 V HN . 52156 1 435 . 1 . 1 108 108 VAL C C 13 174.154 . . . . . . . . 108 V C . 52156 1 436 . 1 . 1 108 108 VAL CA C 13 60.601 . . . . . . . . 108 V CA . 52156 1 437 . 1 . 1 108 108 VAL CB C 13 36.444 . . . . . . . . 108 V CB . 52156 1 438 . 1 . 1 108 108 VAL N N 15 124.959 . . . . . . . . 108 V N . 52156 1 439 . 1 . 1 109 109 THR H H 1 8.325 . . . . . . . . 109 T HN . 52156 1 440 . 1 . 1 109 109 THR C C 13 173.306 . . . . . . . . 109 T C . 52156 1 441 . 1 . 1 109 109 THR CA C 13 62.806 . . . . . . . . 109 T CA . 52156 1 442 . 1 . 1 109 109 THR CB C 13 69.040 . . . . . . . . 109 T CB . 52156 1 443 . 1 . 1 109 109 THR N N 15 123.366 . . . . . . . . 109 T N . 52156 1 444 . 1 . 1 110 110 THR H H 1 8.497 . . . . . . . . 110 T HN . 52156 1 445 . 1 . 1 110 110 THR C C 13 173.240 . . . . . . . . 110 T C . 52156 1 446 . 1 . 1 110 110 THR CA C 13 58.736 . . . . . . . . 110 T CA . 52156 1 447 . 1 . 1 110 110 THR CB C 13 70.413 . . . . . . . . 110 T CB . 52156 1 448 . 1 . 1 110 110 THR N N 15 115.570 . . . . . . . . 110 T N . 52156 1 449 . 1 . 1 111 111 TYR H H 1 8.211 . . . . . . . . 111 Y HN . 52156 1 450 . 1 . 1 111 111 TYR C C 13 176.141 . . . . . . . . 111 Y C . 52156 1 451 . 1 . 1 111 111 TYR CA C 13 56.997 . . . . . . . . 111 Y CA . 52156 1 452 . 1 . 1 111 111 TYR CB C 13 41.076 . . . . . . . . 111 Y CB . 52156 1 453 . 1 . 1 111 111 TYR N N 15 117.292 . . . . . . . . 111 Y N . 52156 1 454 . 1 . 1 112 112 GLY H H 1 7.788 . . . . . . . . 112 G HN . 52156 1 455 . 1 . 1 112 112 GLY CA C 13 44.852 . . . . . . . . 112 G CA . 52156 1 456 . 1 . 1 112 112 GLY N N 15 111.421 . . . . . . . . 112 G N . 52156 1 457 . 1 . 1 114 114 SER H H 1 8.389 . . . . . . . . 114 S HN . 52156 1 458 . 1 . 1 114 114 SER C C 13 173.308 . . . . . . . . 114 S C . 52156 1 459 . 1 . 1 114 114 SER CA C 13 59.358 . . . . . . . . 114 S CA . 52156 1 460 . 1 . 1 114 114 SER CB C 13 63.931 . . . . . . . . 114 S CB . 52156 1 461 . 1 . 1 114 114 SER N N 15 115.739 . . . . . . . . 114 S N . 52156 1 462 . 1 . 1 115 115 PHE H H 1 9.353 . . . . . . . . 115 F HN . 52156 1 463 . 1 . 1 115 115 PHE C C 13 174.791 . . . . . . . . 115 F C . 52156 1 464 . 1 . 1 115 115 PHE CA C 13 56.821 . . . . . . . . 115 F CA . 52156 1 465 . 1 . 1 115 115 PHE CB C 13 42.797 . . . . . . . . 115 F CB . 52156 1 466 . 1 . 1 115 115 PHE N N 15 119.424 . . . . . . . . 115 F N . 52156 1 467 . 1 . 1 116 116 MET H H 1 8.628 . . . . . . . . 116 M HN . 52156 1 468 . 1 . 1 116 116 MET C C 13 175.114 . . . . . . . . 116 M C . 52156 1 469 . 1 . 1 116 116 MET CA C 13 54.481 . . . . . . . . 116 M CA . 52156 1 470 . 1 . 1 116 116 MET CB C 13 31.022 . . . . . . . . 116 M CB . 52156 1 471 . 1 . 1 116 116 MET N N 15 121.324 . . . . . . . . 116 M N . 52156 1 472 . 1 . 1 117 117 ILE H H 1 9.064 . . . . . . . . 117 I HN . 52156 1 473 . 1 . 1 117 117 ILE C C 13 174.741 . . . . . . . . 117 I C . 52156 1 474 . 1 . 1 117 117 ILE CA C 13 59.180 . . . . . . . . 117 I CA . 52156 1 475 . 1 . 1 117 117 ILE CB C 13 39.661 . . . . . . . . 117 I CB . 52156 1 476 . 1 . 1 117 117 ILE N N 15 130.114 . . . . . . . . 117 I N . 52156 1 477 . 1 . 1 118 118 ALA H H 1 8.864 . . . . . . . . 118 A HN . 52156 1 478 . 1 . 1 118 118 ALA C C 13 176.627 . . . . . . . . 118 A C . 52156 1 479 . 1 . 1 118 118 ALA CA C 13 52.655 . . . . . . . . 118 A CA . 52156 1 480 . 1 . 1 118 118 ALA CB C 13 17.661 . . . . . . . . 118 A CB . 52156 1 481 . 1 . 1 118 118 ALA N N 15 128.744 . . . . . . . . 118 A N . 52156 1 482 . 1 . 1 119 119 GLY H H 1 8.104 . . . . . . . . 119 G HN . 52156 1 483 . 1 . 1 119 119 GLY C C 13 173.789 . . . . . . . . 119 G C . 52156 1 484 . 1 . 1 119 119 GLY CA C 13 45.206 . . . . . . . . 119 G CA . 52156 1 485 . 1 . 1 119 119 GLY N N 15 101.613 . . . . . . . . 119 G N . 52156 1 486 . 1 . 1 120 120 HIS H H 1 8.068 . . . . . . . . 120 H HN . 52156 1 487 . 1 . 1 120 120 HIS C C 13 174.997 . . . . . . . . 120 H C . 52156 1 488 . 1 . 1 120 120 HIS CA C 13 54.602 . . . . . . . . 120 H CA . 52156 1 489 . 1 . 1 120 120 HIS CB C 13 34.697 . . . . . . . . 120 H CB . 52156 1 490 . 1 . 1 120 120 HIS N N 15 119.624 . . . . . . . . 120 H N . 52156 1 491 . 1 . 1 121 121 GLN H H 1 8.969 . . . . . . . . 121 Q HN . 52156 1 492 . 1 . 1 121 121 GLN C C 13 178.178 . . . . . . . . 121 Q C . 52156 1 493 . 1 . 1 121 121 GLN CA C 13 56.001 . . . . . . . . 121 Q CA . 52156 1 494 . 1 . 1 121 121 GLN CB C 13 28.671 . . . . . . . . 121 Q CB . 52156 1 495 . 1 . 1 121 121 GLN N N 15 120.698 . . . . . . . . 121 Q N . 52156 1 496 . 1 . 1 122 122 MET H H 1 10.090 . . . . . . . . 122 M HN . 52156 1 497 . 1 . 1 122 122 MET C C 13 174.688 . . . . . . . . 122 M C . 52156 1 498 . 1 . 1 122 122 MET CA C 13 55.770 . . . . . . . . 122 M CA . 52156 1 499 . 1 . 1 122 122 MET CB C 13 37.200 . . . . . . . . 122 M CB . 52156 1 500 . 1 . 1 122 122 MET N N 15 124.898 . . . . . . . . 122 M N . 52156 1 501 . 1 . 1 123 123 TYR H H 1 9.404 . . . . . . . . 123 Y HN . 52156 1 502 . 1 . 1 123 123 TYR C C 13 176.106 . . . . . . . . 123 Y C . 52156 1 503 . 1 . 1 123 123 TYR CA C 13 57.241 . . . . . . . . 123 Y CA . 52156 1 504 . 1 . 1 123 123 TYR CB C 13 41.833 . . . . . . . . 123 Y CB . 52156 1 505 . 1 . 1 123 123 TYR N N 15 118.957 . . . . . . . . 123 Y N . 52156 1 506 . 1 . 1 124 124 ARG H H 1 10.418 . . . . . . . . 124 R HN . 52156 1 507 . 1 . 1 124 124 ARG C C 13 176.891 . . . . . . . . 124 R C . 52156 1 508 . 1 . 1 124 124 ARG CA C 13 56.775 . . . . . . . . 124 R CA . 52156 1 509 . 1 . 1 124 124 ARG CB C 13 31.835 . . . . . . . . 124 R CB . 52156 1 510 . 1 . 1 124 124 ARG N N 15 124.296 . . . . . . . . 124 R N . 52156 1 511 . 1 . 1 125 125 ILE H H 1 8.828 . . . . . . . . 125 I HN . 52156 1 512 . 1 . 1 125 125 ILE C C 13 175.722 . . . . . . . . 125 I C . 52156 1 513 . 1 . 1 125 125 ILE CA C 13 60.494 . . . . . . . . 125 I CA . 52156 1 514 . 1 . 1 125 125 ILE CB C 13 39.956 . . . . . . . . 125 I CB . 52156 1 515 . 1 . 1 125 125 ILE N N 15 119.253 . . . . . . . . 125 I N . 52156 1 516 . 1 . 1 126 126 GLY H H 1 7.858 . . . . . . . . 126 G HN . 52156 1 517 . 1 . 1 126 126 GLY C C 13 171.132 . . . . . . . . 126 G C . 52156 1 518 . 1 . 1 126 126 GLY CA C 13 44.458 . . . . . . . . 126 G CA . 52156 1 519 . 1 . 1 126 126 GLY N N 15 110.040 . . . . . . . . 126 G N . 52156 1 520 . 1 . 1 127 127 LYS H H 1 8.787 . . . . . . . . 127 K HN . 52156 1 521 . 1 . 1 127 127 LYS N N 15 121.767 . . . . . . . . 127 K N . 52156 1 522 . 1 . 1 128 128 ASN H H 1 6.582 . . . . . . . . 128 N HN . 52156 1 523 . 1 . 1 128 128 ASN C C 13 174.308 . . . . . . . . 128 N C . 52156 1 524 . 1 . 1 128 128 ASN CA C 13 55.320 . . . . . . . . 128 N CA . 52156 1 525 . 1 . 1 128 128 ASN CB C 13 34.827 . . . . . . . . 128 N CB . 52156 1 526 . 1 . 1 128 128 ASN N N 15 114.715 . . . . . . . . 128 N N . 52156 1 527 . 1 . 1 129 129 GLN H H 1 9.651 . . . . . . . . 129 Q HN . 52156 1 528 . 1 . 1 129 129 GLN C C 13 174.723 . . . . . . . . 129 Q C . 52156 1 529 . 1 . 1 129 129 GLN CA C 13 56.806 . . . . . . . . 129 Q CA . 52156 1 530 . 1 . 1 129 129 GLN CB C 13 44.203 . . . . . . . . 129 Q CB . 52156 1 531 . 1 . 1 129 129 GLN N N 15 123.216 . . . . . . . . 129 Q N . 52156 1 532 . 1 . 1 130 130 TYR H H 1 9.170 . . . . . . . . 130 Y HN . 52156 1 533 . 1 . 1 130 130 TYR C C 13 175.763 . . . . . . . . 130 Y C . 52156 1 534 . 1 . 1 130 130 TYR CA C 13 60.901 . . . . . . . . 130 Y CA . 52156 1 535 . 1 . 1 130 130 TYR CB C 13 37.153 . . . . . . . . 130 Y CB . 52156 1 536 . 1 . 1 130 130 TYR N N 15 119.402 . . . . . . . . 130 Y N . 52156 1 537 . 1 . 1 134 134 ALA H H 1 9.022 . . . . . . . . 134 A HN . 52156 1 538 . 1 . 1 134 134 ALA C C 13 177.179 . . . . . . . . 134 A C . 52156 1 539 . 1 . 1 134 134 ALA CA C 13 53.615 . . . . . . . . 134 A CA . 52156 1 540 . 1 . 1 134 134 ALA CB C 13 18.415 . . . . . . . . 134 A CB . 52156 1 541 . 1 . 1 134 134 ALA N N 15 118.875 . . . . . . . . 134 A N . 52156 1 542 . 1 . 1 135 135 ASN H H 1 7.545 . . . . . . . . 135 N HN . 52156 1 543 . 1 . 1 135 135 ASN C C 13 174.852 . . . . . . . . 135 N C . 52156 1 544 . 1 . 1 135 135 ASN CA C 13 53.114 . . . . . . . . 135 N CA . 52156 1 545 . 1 . 1 135 135 ASN CB C 13 37.290 . . . . . . . . 135 N CB . 52156 1 546 . 1 . 1 135 135 ASN N N 15 114.216 . . . . . . . . 135 N N . 52156 1 547 . 1 . 1 136 136 PHE H H 1 7.920 . . . . . . . . 136 F HN . 52156 1 548 . 1 . 1 136 136 PHE C C 13 175.441 . . . . . . . . 136 F C . 52156 1 549 . 1 . 1 136 136 PHE CA C 13 58.717 . . . . . . . . 136 F CA . 52156 1 550 . 1 . 1 136 136 PHE CB C 13 40.440 . . . . . . . . 136 F CB . 52156 1 551 . 1 . 1 136 136 PHE N N 15 119.193 . . . . . . . . 136 F N . 52156 1 552 . 1 . 1 137 137 LEU H H 1 8.615 . . . . . . . . 137 L HN . 52156 1 553 . 1 . 1 137 137 LEU C C 13 176.947 . . . . . . . . 137 L C . 52156 1 554 . 1 . 1 137 137 LEU CA C 13 55.104 . . . . . . . . 137 L CA . 52156 1 555 . 1 . 1 137 137 LEU CB C 13 40.513 . . . . . . . . 137 L CB . 52156 1 556 . 1 . 1 137 137 LEU N N 15 121.746 . . . . . . . . 137 L N . 52156 1 557 . 1 . 1 138 138 GLU H H 1 8.847 . . . . . . . . 138 E HN . 52156 1 558 . 1 . 1 138 138 GLU C C 13 175.772 . . . . . . . . 138 E C . 52156 1 559 . 1 . 1 138 138 GLU CA C 13 56.754 . . . . . . . . 138 E CA . 52156 1 560 . 1 . 1 138 138 GLU CB C 13 30.686 . . . . . . . . 138 E CB . 52156 1 561 . 1 . 1 138 138 GLU N N 15 124.717 . . . . . . . . 138 E N . 52156 1 stop_ save_